smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(Cn2cc(C(=O)NNC(=O)NCc3ccc(F)cc3)ccc2=O)cc1 23136163 YVRSGBGAWXPKNZ-UHFFFAOYSA-N 408.433 2.488 50 40 HEGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)c(=O)c1C#N 30791361 JBDNHUDRQVMLHD-HOEBFWFUSA-N 423.256 2.338 50 40 HEGB O=C1[C@H]2[C@H](C(=O)N1c1cccnc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 101509767 DDLAHPMIMLVXEQ-JKCCIXDMSA-N 400.070 2.364 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 409173565 JVZHLOWWZPKVMN-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB O=C(Cc1ccc(F)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 13022398 NJNIEKOQDACASA-UHFFFAOYSA-N 419.478 2.004 50 40 HEGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(OC)c2)S(C)(=O)=O)cc1 408923010 DMMCRWGTNIVRBO-HBBMIWKISA-N 419.503 2.399 50 40 HEGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1)Nc1cccc(Cl)c1 409262072 CLYHPRYEMNGFNN-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB COc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 5513848 DZVOAQSLGULQBN-UHFFFAOYSA-N 409.236 2.063 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C 6606847 WMSZBSPVHGQEMQ-DHRITJCHSA-N 422.485 2.382 50 40 HEGB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NNC(=O)[C@@H]1COc2ccccc2O1 12770788 KFONHXVCYOVFOV-JFDDCEBESA-N 402.790 2.069 50 40 HEGB COc1cc(F)c(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)cc2)cc1OC 26531201 ZYCVOTCRJHIUKP-UHFFFAOYSA-N 412.439 2.253 50 40 HEGB O=C(NNc1nc(-c2ccncc2)no1)C1CCN(C(=O)CCc2ccccc2)CC1 58305797 VOQBQKPREJTDCY-UHFFFAOYSA-N 420.473 2.446 50 40 HEGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 58884294 UTCCMCXYSSJLBR-SYXCRGJESA-N 424.501 2.261 50 40 HEGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Br)c1O 59483264 JUORWGXIKLEKPQ-SRZZPIQSSA-N 420.263 2.320 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)CCN2CCN(Cc3ccccc3)CC2)c1 33533241 MVOJQMVRGSQHQG-JJIBRWJFSA-N 410.518 2.362 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(CC)cc1 6879494 OXRYCBALNCGWFV-ZVHZXABRSA-N 410.474 2.243 50 40 HEGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 408782410 GVZQRFHIWPDRQK-YBFXNURJSA-N 404.448 2.128 50 40 HEGB O=C(CN1CCCC1)N/N=C/c1cc(Br)cc(Br)c1O 823883 OKNDOXIQKPCGGZ-FRKPEAEDSA-N 405.090 2.463 50 40 HEGB CCOC(=O)N1CCC(=NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 5591633 ISGWQZYDTICLLW-UHFFFAOYSA-N 424.523 2.055 50 40 HEGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(COc2ccccc2)o1 7942538 PHVSVGCERRHXBF-UHFFFAOYSA-N 404.382 2.170 50 40 HEGB CC(C)c1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3O)C(=O)NC2=S)cc1 13125484 PHPXTASWTZTZAR-LFIBNONCSA-N 424.482 2.082 50 40 HEGB O=C(COCCOCC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 196147166 VVWVOUCHURLSBL-UHFFFAOYSA-N 420.330 2.047 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 3385025 YGIKGPJUODDLJY-CPNJWEJPSA-N 404.448 2.389 50 40 HEGB CC/C(NNC(=O)c1ccccc1O)=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1O 5025513 RYEGSNCAVWIDPF-BMRADRMJSA-N 408.414 2.410 50 40 HEGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)c1 20208309 ZQJNLRVVLATFRP-LPYMAVHISA-N 414.487 2.122 50 40 HEGB C/C(=N\NC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H](c1ccccc1)N1CCOCC1 39981968 YROZZAMUWDNZIV-DOZBRYHWSA-N 419.485 2.113 50 40 HEGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Nc2ccccc2)cc1 100873678 FJCSHCAPOWOTOL-MFKUBSTISA-N 411.462 2.014 50 40 HEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 101312310 NWXPMZNYVWKVQH-LYQCPJKTSA-N 423.741 2.289 50 40 HEGB CCOc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 107680727 LLKNMVIYFQUSNE-QNGOZBTKSA-N 403.504 2.040 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 5465060 KMNGSIFLXJGENL-BUVRLJJBSA-N 413.474 2.302 50 40 HEGB Cc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c(C)c1 7939982 OCOFZAUCIKTKAS-UHFFFAOYSA-N 411.458 2.417 50 40 HEGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 8159169 NPOCWLJPKARESE-JKSUJKDBSA-N 401.488 2.062 50 40 HEGB CC(C)(C)OC(=O)NNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 14197404 WOABSKBPLDCHOX-UHFFFAOYSA-N 410.521 2.262 50 40 HEGB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccncc3)c2)cc1 15272739 YIFCTEMRBJDLCR-UHFFFAOYSA-N 424.482 2.290 50 40 HEGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 989392 JWPKNPHCLNTDIT-QHCPKHFHSA-N 421.453 2.201 50 40 HEGB O=C(O)COc1ccccc1/C=N/NC(=O)COc1cccc(Br)c1 1433693 SKYBPYXHECVIPB-DJKKODMXSA-N 407.220 2.442 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 6879498 MLFRFBYZNXYFRD-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cc2c(s1)-c1ccccc1CC2 10104726 SUKZNWISCMFBJU-GFCCVEGCSA-N 404.513 2.100 50 40 HEGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)COc3c(C)cccc3C)CC2=O)cc1 9909023 UFNCBPBEVBHBEV-LJQANCHMSA-N 409.486 2.187 50 40 HEGB Cc1cc(C)nc(NNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 11334744 UEEUHNDMALPESV-JLHYYAGUSA-N 415.519 2.249 50 40 HEGB NNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1 36724768 CBHDSUIVYFNTTG-UHFFFAOYSA-N 405.281 2.174 50 40 HEGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 20328927 WTZGJHZKBDIETO-YZSQISJMSA-N 418.497 2.282 50 40 HEGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccccc2)c(=O)c1C#N 59639609 HGDJMBQHTVVVEG-ZVBGSRNCSA-N 417.263 2.088 50 40 HEGB Cc1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c1 408644578 GVQGMKRNSQBATE-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB CN(NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)c1cnnc(O)c1Cl 16958393 XBIKLVKXOSGMNL-GXDHUFHOSA-N 413.821 2.367 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 19954372 WBPBJVBZGHXKBA-UDWIEESQSA-N 408.911 2.322 50 40 HEGB COc1ccc([C@H](CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)NC(C)=O)cc1 22904910 CXXOYZGCDDCFMR-UGSOOPFHSA-N 417.437 2.017 50 40 HEGB O=C(OCC1=C[C@H](Cl)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 104648188 QUOOWFYEPMIYFF-CADBVGFASA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro COc1cc(/C=N\NC(=O)c2nn(-c3cccc(C)c3)c(=O)c(C#N)c2C)ccc1O 409061500 DMDOFQNNCZMOKK-MSXFZWOLSA-N 417.425 2.199 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1)NC[C@H]1CCCO1 409111666 BKPZHLDUIVIIOI-JAMLUQCHSA-N 409.486 2.444 50 40 HEGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H](Sc1ccccc1)c1ccccc1 12855785 HJEPACUAEHDZLE-RDJZCZTQSA-N 404.513 2.102 50 40 HEGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H]2OC(=S)O[C@@H]12 254140796 BPEOZWDRWRDXPZ-OXUWNYNTSA-N 423.571 2.397 50 40 HEGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408603298 GFEMIRUQLVCJNM-FSJBWODESA-N 419.865 2.140 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cccc(F)c1 408740583 HCTCDFROYVXVNM-SCDDIDHTSA-N 418.837 2.259 50 40 HEGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 778246 CDCAGGNNLPAOPV-GXDHUFHOSA-N 401.444 2.287 50 40 HEGB Cc1nnc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 9635452 NUTHNMXOELDRLO-UHFFFAOYSA-N 412.431 2.037 50 40 HEGB O=C(O)CN1C(=O)/C(=N/NC(=O)CCCNc2ccc(Cl)cc2)c2ccccc21 19831011 JDOCXTSUHDTBAV-LYBHJNIJSA-N 414.849 2.484 50 40 HEGB CCOC(=O)C1=C(C)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@H]1c1ccco1 25425709 FBAOAANSWUIALQ-SFHVURJKSA-N 417.487 2.131 50 40 HEGB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408679465 FFWFSUURQDLWJG-ZXNRBLBOSA-N 411.208 2.113 50 40 HEGB Cc1nnc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)s1 408690242 ULHXUTJVYNBCNN-NUJDXYNKSA-N 421.114 2.129 50 40 HEGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)c2c(Cl)cnn2C)cc1 2258116 BBHRVSYBSZGKHJ-DJKKODMXSA-N 410.883 2.122 50 40 HEGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)cc1 8086036 BRPNHGOSZXZMGK-YDZHTSKRSA-N 410.474 2.241 50 40 HEGB CN(NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 12735551 MGCCBKSYQOJIDM-UHFFFAOYSA-N 417.409 2.421 50 40 HEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 33563970 UTIBRNLIQDPMMM-MOSHPQCFSA-N 413.390 2.032 50 40 HEGB COc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 101316401 JDAOPCNDJDARHA-MOBXIHKVSA-N 409.316 2.189 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)N1CCOCC1 409012569 KKUGDVKVMFFYKA-HAHDFKILSA-N 411.458 2.087 50 40 HEGB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(F)cc1 8877782 MLPUCPXOAQXZQH-UHFFFAOYSA-N 422.412 2.066 50 40 HEGB Cc1cc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1 100800971 IFPRZDPGAPGJEI-HRXAVHFOSA-N 404.058 2.265 50 40 HEGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1 873743 IAXAQBNKSIOPMO-UHFFFAOYSA-N 422.470 2.329 50 40 HEGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3Br)C2=O)cc1 2370750 BUCQPBWOZWZGDK-OAHLLOKOSA-N 418.247 2.024 50 40 HEGB Cc1c(Br)c(C(=O)NNC(=S)N[C@H]2CCC[C@@H](C)[C@@H]2C)nn1C 2782044 UMLOQIIXEDLSHJ-YWVKMMECSA-N 402.362 2.425 50 40 HEGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc([N+](=O)[O-])s1 3127251 WFROADSUSOPYLL-REZTVBANSA-N 411.237 2.299 50 40 HEGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1 19955059 XESTVJVMYFSONB-KGENOOAVSA-N 418.519 2.068 50 40 HEGB Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1C 408684457 NJSCYFCAAQNAHO-BXLNKUBBSA-N 422.275 2.356 50 40 HEGB O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1 409381154 DGEFSWOBLDQGBD-RNIPGJKVSA-N 419.437 2.223 50 40 HEGB Cc1cc2c(c(=O)n1CCO)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 4851039 KIXNXJMMLDLJPD-HNNXBMFYSA-N 402.248 2.130 50 40 HEGB O=C(O)CCc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5135019 CPHNFPPYCLYHRC-UHFFFAOYSA-N 406.504 2.230 50 40 HEGB O=C(CNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1 5978355 RTFJSCXMTPKCCT-UHFFFAOYSA-N 410.655 2.294 50 40 HEGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)Cc3c[nH]c4ccccc34)CC2=O)cc1 12576292 KFVZMSSFPZSBCE-MRXNPFEDSA-N 420.469 2.310 50 40 HEGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)CC2=O)cc1 17518923 HGCRZKMIOBJASI-GOSISDBHSA-N 417.469 2.195 50 40 HEGB COc1ccc(C)cc1[C@@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 40024130 BIKUWJFOLRQLHG-CYBMUJFWSA-N 419.507 2.002 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408776477 PCGBFGJKRBMZNA-RGVLZGJSSA-N 423.878 2.043 50 40 HEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 409261709 CZGXHQAZKCLGPK-BUVRLJJBSA-N 422.485 2.339 50 40 HEGB C[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 2121832 XVNZGPIHWYWUJJ-SRRANQMSSA-N 410.386 2.375 50 40 HEGB CC[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 12733666 BYAQROJBEQHDBK-ZDUSSCGKSA-N 405.476 2.303 50 40 HEGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccco3)nnn2-c2nonc2N)cc1 2450541 KUACQONSEVSHQU-AWQFTUOYSA-N 424.446 2.190 50 40 HEGB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)NNC(=S)NCc1ccccc1 6281639 WYSYWMPOTADQJJ-UHFFFAOYSA-N 411.483 2.484 50 40 HEGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)C(=O)Nc1ccccn1 13563226 IBGLPMJAYTUACQ-SSDVNMTOSA-N 418.251 2.304 50 40 HEGB Cc1c(C(=O)NN=C(c2ccc(F)cc2)c2ccc(F)cc2)nnn1-c1nonc1N 1057099 LHRVTEUAKHBCQT-UHFFFAOYSA-N 424.371 2.002 50 40 HEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c(C)c1 6606908 LKGFCSLFPJXGSN-SRZZPIQSSA-N 417.487 2.081 50 40 HEGB COc1cc(C(=O)NNS(=O)(=O)c2cccc3nsnc23)ccc1OC(C)C 19077367 IZDACEZUTVOPSL-UHFFFAOYSA-N 422.488 2.110 50 40 HEGB COc1ccccc1/C=N/NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1 19951165 YVWOQLJDXPNYKX-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB C=CCOc1ccc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 100958947 UTOMPKXJHBFMHE-YCPFAOKUSA-N 412.467 2.031 50 40 HEGB COc1cccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c1 408987246 FIDCQMCVYVLQAO-GRMYTIJRSA-N 421.457 2.406 50 40 HEGB CCNC(=S)NNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 7975471 KVDRPDZQGQCSCA-UHFFFAOYSA-N 410.496 2.064 50 40 HEGB N#CC1=C(N)/C(=C/c2ccccc2)C(=N)N(/N=C(/S)NC(=O)c2ccccc2)C1=O 16450949 SPBBSUOWUCPWQN-XYTHZFTASA-N 416.466 2.257 50 40 HEGB CCOc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 33761456 JPNORESUIVBVCQ-BKUYFWCQSA-N 419.503 2.173 50 40 HEGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C(=O)O)o2)OCCO1 409047788 PLUCGKOWXAYRHR-VXLYETTFSA-N 403.347 2.156 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1 409026364 MWNHLVBHOUTGLU-HYARGMPZSA-N 414.487 2.068 50 40 HEGB CCOc1cc(/C=N/NC(=O)OC)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 8722183 KXJNTKLUTLYURS-WOJGMQOQSA-N 423.403 2.451 50 40 HEGB CC(C)(C)c1ccccc1OCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 12804762 UUOSTSZKZIYGID-UHFFFAOYSA-N 418.519 2.117 50 40 HEGB Cc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)o1 12979346 DGIXPCSPZOBVBX-UHFFFAOYSA-N 402.414 2.365 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccccc1Cl 20209328 RFZYPLIFYDYQAI-CIAFOILYSA-N 420.878 2.159 50 40 HEGB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@@H]1[C@H]1[C@H](Br)[C@H](Br)[C@H]21 104195029 IKWBZJIIPSEQNE-OWBHCOHNSA-N 406.070 2.218 50 40 HEGB C=CCn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 7166512 OYIYIIYZLHLYKW-UHFFFAOYSA-N 412.446 2.275 50 40 HEGB O=C(COc1ccc(Oc2ccccc2)cc1)NNC(=O)CN1CCCCCC1=O 14201226 JESKMCMHRZEGFL-UHFFFAOYSA-N 411.458 2.408 50 40 HEGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCC)c(O)c2)s1 408731834 QFBTZKPFIAWOEI-YBFXNURJSA-N 405.480 2.464 50 40 HEGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCC(=O)N1CCCC1 409195811 LCQNJXFOUKYOIW-QVWJKXSPSA-N 420.469 2.454 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 2178208 YJACNQNBIAWKFJ-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccsc3)nnn2-c2nonc2N)cc1 2382750 POGUHHKRVPBJJQ-AWQFTUOYSA-N 424.446 2.124 50 40 HEGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1 6355259 AMBOVPUMQHUGSE-INIZCTEOSA-N 401.488 2.016 50 40 HEGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)c1C 6479100 NSEVIMKCRFFMFO-FSJBWODESA-N 410.474 2.296 50 40 HEGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccccc1Cl 6984984 GSQFYIPWUJYDOS-GFCCVEGCSA-N 407.829 2.214 50 40 HEGB COc1ccccc1CN(C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 9585811 CHAHQYMRDFCFOW-UHFFFAOYSA-N 403.435 2.207 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2F)cc1Cl 16187482 KYZCXATWIRDXSC-JMIUGGIZSA-N 413.858 2.259 50 40 HEGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 19927933 ROAYBFYIPKWUJB-KADHNRKRSA-N 401.400 2.065 50 40 HEGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 100086004 VNSADNUZEKLHSG-QQTULTPQSA-N 412.877 2.274 50 40 HEGB COC(=O)c1cc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1 5978309 PBKRSAPHRMOCBJ-UHFFFAOYSA-N 407.766 2.118 50 40 HEGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccc(O)cc1 8820283 JOIPSPAAUQMVBE-GXDHUFHOSA-N 417.468 2.038 50 40 HEGB O=C(CN1CCCCCC1=O)NNC(=O)c1cc2cc(Br)ccc2[nH]1 32759908 PFVJIATZFDQOCZ-UHFFFAOYSA-N 407.268 2.094 50 40 HEGB Cc1cc(C(=O)NNC(=O)C2CCN(C(=O)NC3CC3)CC2)c(C)n1-c1ccccc1 40143568 WSNIXGJYWMXGGL-UHFFFAOYSA-N 423.517 2.439 50 40 HEGB CCN(CC)c1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101301568 GCXVNTWGAZXBGR-DXNFXHBHSA-N 415.968 2.373 50 40 HEGB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3089321 WFPWPQYYOSQWQV-MIQLPHMESA-N 404.448 2.048 50 40 HEGB CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(C)=O)n12)CC[C@@H](C)C3 4848068 UAHVNAGQALUSEA-SECBINFHSA-N 418.548 2.286 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1C 139032073 GGUGYLNOWQRSBZ-HZMAYWFUSA-N 422.275 2.356 50 40 HEGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)c1 6456588 YQOLQLUPWGIFEB-FSJBWODESA-N 410.474 2.296 50 40 HEGB Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)c(C)o1 71820808 UGCGUGVNHVITEA-QGZVFWFLSA-N 413.474 2.365 50 40 HEGB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408687247 TYVSRUBDGGFVDE-IZIREBJPSA-N 411.208 2.113 50 40 HEGB CCOc1cc(/C=N/NC(=O)CC#N)ccc1OCC(=O)Nc1ccccc1OC 4545619 AQNYFLIAGRWKOF-YDZHTSKRSA-N 410.430 2.475 50 40 HEGB CCOC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@]12C(C#N)=C(N)Oc1n[nH]c(C)c12 13479731 LVPDLJLZRFLHAY-VGOFRKELSA-N 407.474 2.127 50 40 HEGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccnc1 100842971 DDLAHPMIMLVXEQ-SDONNHMOSA-N 400.070 2.364 50 40 HEGB CC[C@]12CSc3nc(Cl)ccc3N1C(=O)C(=O)N2C(=O)CCBr 2271986 LSVOBLPUTLOLCL-AWEZNQCLSA-N 418.700 2.434 50 40 HEGB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)NNC(=O)c1cccnc1 9937555 JDXNKQJNBLVXIZ-UHFFFAOYSA-N 403.402 2.448 50 40 HEGB C[C@@H]1Sc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)cc2NC1=O 12998401 JCVLURDRYCPZPY-MNOVXSKESA-N 403.435 2.487 50 40 HEGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)OC3)c2ccccc21 20725434 IUYNENUYSIBLBP-QFIPXVFZSA-N 402.385 2.065 50 40 HEGB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccccc1Cl)C2=O 32975859 IQEONEYGOUVMKS-ODXCJYRJSA-N 420.897 2.238 50 40 HEGB O=C(NNC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1cccc([N+](=O)[O-])c1 40142861 OWTOAGIIQNMVNS-UHFFFAOYSA-N 402.370 2.379 50 40 HEGB CNc1ccc(/C=N/NC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1[N+](=O)[O-] 20934346 JAZXMADGQADETO-DNTJNYDQSA-N 414.447 2.244 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408793958 HLBWYYFPAYVTJI-GHRIWEEISA-N 409.442 2.382 50 40 HEGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1 409364180 NIDRXSQLLKKNGT-XKZIYDEJSA-N 400.431 2.339 50 40 HEGB N#CC1=C(N)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=C(C#N)[C@H]1c1ccc(F)cc1 704333 OLSDVFIWUQYFJI-XSORJCKLSA-N 418.428 2.139 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1ccc(Cl)c(Cl)c1 4600372 ZHENAYUEILHLCE-DJKKODMXSA-N 401.275 2.305 50 40 HEGB CCCn1nc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O 6509207 ZMEPLFAKYJQTDH-UHFFFAOYSA-N 416.384 2.483 50 40 HEGB Cc1cccc(N2N=C(C(=O)NNC(=O)COc3c(C)cccc3C)CCC2=O)c1 6509893 RVDLBOOGYCPHRX-UHFFFAOYSA-N 408.458 2.321 50 40 HEGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)c1ccc(OC)cc1 59490265 HBASYINPVMOFSI-KGENOOAVSA-N 418.519 2.068 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)NC1CCCCC1 59959680 BTHYHSIHHNJNSE-OEAKJJBVSA-N 414.506 2.023 50 40 HEGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c1 408784626 WBHFLFKAPJVLKH-YBFXNURJSA-N 404.448 2.128 50 40 HEGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 6363070 SYHLABAECIDONU-QQTULTPQSA-N 410.861 2.052 50 40 HEGB COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCC(N)=O 13322066 WWGXJHGRXTWXCC-WYMPLXKRSA-N 407.426 2.242 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC 19954749 FALHHDCUPSGFTE-RCCKNPSSSA-N 419.503 2.319 50 40 HEGB Cc1cccc(C(=O)NNC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)c1 24833144 AHLVGVZXRAJEHH-KRWDZBQOSA-N 408.502 2.495 50 40 HEGB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408689476 YGUQZKOUTLRMLB-RZRDZNJRSA-N 422.275 2.356 50 40 HEGB Cc1ccccc1NC(=O)CC(=O)NNCC(=O)Nc1nnc(-c2ccccc2)s1 1628506 AXBFUQATCBRZIX-UHFFFAOYSA-N 424.486 2.102 50 40 HEGB CCOC(=O)/C(=N/Nc1sc(C(=O)OC)c(C)c1C(=O)OCC)C(=O)CCl 2679567 NYWCFYLFQVBDGF-WOJGMQOQSA-N 418.855 2.159 50 40 HEGB COc1cc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)cc(OC)c1O 6368351 MKOKPPGFGYFKQG-XQNSMLJCSA-N 412.490 2.072 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 6606954 NISAZYGLXKXGNU-CIAFOILYSA-N 403.504 2.391 50 40 HEGB COc1ccccc1N/C=C1\C(=O)N(CCCN2CCCC2=O)C(=O)C(C#N)=C1C 9422971 GTLSWTSZCGANLO-VKAVYKQESA-N 408.458 2.212 50 40 HEGB CCOc1ccc(-c2c(C(=O)N/N=C/[C@H]3CC=CCC3)nnn2-c2nonc2N)cc1 13750009 UPZDQNUIRHHICP-AEOXGOBCSA-N 422.449 2.370 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1F 32795319 BFLLNHCMQHLXJU-NSHDSACASA-N 420.238 2.402 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c(C)c1 408685984 QTYSZYSCVHJBJF-DJWYYIDESA-N 422.275 2.356 50 40 HEGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(N)=O 409257207 RJLOTZMSSPFERM-NKVSQWTQSA-N 420.263 2.394 50 40 HEGB Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1 9618137 AHNMKLRWJIXCCH-UHFFFAOYSA-N 423.425 2.488 50 40 HEGB NNC(=O)CN1C(=S)N/C(=N\c2ccc(Br)cc2)C12CCCCC2 18122077 LHFGSHHTLNHKCO-UHFFFAOYSA-N 410.341 2.362 50 40 HEGB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408689474 YGUQZKOUTLRMLB-HZMAYWFUSA-N 422.275 2.356 50 40 HEGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1c[nH]c2ccccc12 408730846 JJDPJZIPBFZOTE-FBCYGCLPSA-N 411.274 2.454 50 40 HEGB CNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408823621 FMTQSURUFFQGJS-WMZJFQQLSA-N 421.240 2.494 50 40 HEGB CC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 3483488 CSHGAGFVCKVWDF-UHFFFAOYSA-N 421.247 2.257 50 40 HEGB N#Cc1ccc(OCC(=O)NNC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5560705 NFHIBVMVEPRIDT-UHFFFAOYSA-N 412.515 2.175 50 40 HEGB CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1 12137100 KSYKSUUSSNUEKU-UHFFFAOYSA-N 401.488 2.417 50 40 HEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)/C=C/c2ccc(C)cc2C)cc1 24766002 YPHFZQNXQMLWHB-FMIVXFBMSA-N 415.515 2.093 50 40 HEGB Cc1c(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)nn(-c2ccccc2)c(=O)c1C#N 409076657 BPNDGBDHUJYSIL-UUYOSTAYSA-N 402.370 2.085 50 40 HEGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)c1C 409171341 ZLRPISRLAKYOCL-FSJBWODESA-N 410.474 2.296 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 409266698 KXCCPYIFKNYLOG-DXRSZSRVSA-N 410.474 2.377 50 40 HEGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1O 2289388 AHMIALFFIMLXQD-AFUMVMLFSA-N 403.438 2.496 50 40 HEGB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1ccncc1 4738922 RSYNCIYTABRXQL-UHFFFAOYSA-N 404.426 2.224 50 40 HEGB C/C(=N\NC(=O)c1cccs1)c1cc2c(cc1NC(=O)/C=C/C(=O)O)OCO2 5517015 ZZSPRTAEHUOREP-VKGNWJIDSA-N 401.400 2.210 50 40 HEGB CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 409062857 BVZWZWKLXVPMEU-ZSOIEALJSA-N 410.386 2.274 50 40 HEGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 6983848 JUWBOYZWCTYWOS-MRXNPFEDSA-N 413.474 2.047 50 40 HEGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)cc1 8086148 DPUORXXXTPAIRU-AFUMVMLFSA-N 424.501 2.489 50 40 HEGB Cc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(C)cc2)cc1 8397922 QCIRWMOQVZRRTA-UHFFFAOYSA-N 410.474 2.086 50 40 HEGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 408786663 LUEGJINQEUMGJJ-CIAFOILYSA-N 417.487 2.145 50 40 HEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(OC)c(OC)c(OC)c1 642492 FNBFFKRDXBYZMW-HNNXBMFYSA-N 416.459 2.270 50 40 HEGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 5631939 AZAVXTQDVMUWPY-UHFFFAOYSA-N 413.455 2.187 50 40 HEGB CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1OCC(=O)NN 8915038 ZFNOLQSFDVWDJM-UHFFFAOYSA-N 424.457 2.460 50 40 HEGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1O 409248194 CKOIXQVKZYTKBK-SSDVNMTOSA-N 405.838 2.219 50 40 HEGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCCCOC)=C2C#N)cc1 6355260 UNEGWKXXYHASTN-INIZCTEOSA-N 403.504 2.310 50 40 HEGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)COc1ccccc1C#N 9665672 LFODSLQJGXIWFC-LBPRGKRZSA-N 418.247 2.314 50 40 HEGB O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 10037767 HHVGHZHZYRPSQB-UHFFFAOYSA-N 415.409 2.081 50 40 HEGB O=C(NNC(=O)c1ccccc1O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 17575642 KEIMRIJZBZZJJG-UHFFFAOYSA-N 411.439 2.268 50 40 HEGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccccc2)cc1 408863150 PQFKYIHMUIRNMP-UHFFFAOYSA-N 414.531 2.388 50 40 HEGB Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 3577119 FYZNPUYPDYBRFG-YDZHTSKRSA-N 414.473 2.352 50 40 HEGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2F)c2ccccc21 5270930 YBWBRNJTVICYND-ZPHPHTNESA-N 406.417 2.403 50 40 HEGB Cc1ccc(C)c(NC(=O)CC/C(=N\NC(=O)C(N)=O)[C@@H](C)C(=O)c2ccccc2)c1 5681991 NIEJDMSJKLNKCG-AGQAJRSWSA-N 422.485 2.499 50 40 HEGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccncc1 8820337 QTQMZCKXFSCCEM-SDNWHVSQSA-N 416.484 2.117 50 40 HEGB O=C(CCC(=O)NNC(=S)NC(=O)c1cccc(Cl)c1)NCc1ccccc1 12137242 CXFBWLAFLOQTEG-UHFFFAOYSA-N 418.906 2.072 50 40 HEGB O=C(CSCC(=O)Nc1ccc(F)cc1)NNC(=O)c1c[nH]c2ccccc12 17523101 CBQMCHIFPFPLPJ-UHFFFAOYSA-N 400.435 2.440 50 40 HEGB COc1cc(OC)cc(C(=O)NC(=S)NNC(=O)c2ccc3ccccc3n2)c1 18194262 ZTDGWFPIJLLJQK-UHFFFAOYSA-N 410.455 2.201 50 40 HEGB O=C(CCNC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccccc1 40134491 AASPSYLWKCFQDV-UHFFFAOYSA-N 405.252 2.422 50 40 HEGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 107743521 PVEOSEWSSCPEMI-HMAPJEAMSA-N 424.461 2.069 50 40 HEGB O=C(COC(=O)c1ccc(Cl)nc1)NNC(=O)c1ccc(Br)cc1 9466451 ATSSTMHQCZRONS-UHFFFAOYSA-N 412.627 2.116 50 40 HEGB COc1cc(OC)c2[nH]c(C(=O)NNC(=O)CN3CCCc4ccccc43)cc2c1 12545905 NBIBUDXLZPFPRB-UHFFFAOYSA-N 408.458 2.399 50 40 HEGB O=C(OC[C@@]1(O)[C@@H](O)[C@H](OC(=O)c2ccccc2)C=C[C@H]1Cl)c1ccccc1 14924133 OZXFMXVSIMKHPG-WIRSXHRWSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro O=C(CSc1ccc(Cl)cc1)NNC(=O)Cc1n[nH]c(=O)c2ccccc12 6650338 GQOJBVZREBUBGJ-UHFFFAOYSA-N 402.863 2.059 50 40 HEGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 16158056 GMLXEJYGXARUEV-RGVLZGJSSA-N 414.399 2.266 50 40 HEGB C[C@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 23187861 FWHHBKMBDPQOHD-JSGCOSHPSA-N 408.483 2.497 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 408773294 UUFDIAPUTCDLDI-CIAFOILYSA-N 419.503 2.237 50 40 HEGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 409336186 MVASCCOYGBHDJW-HAVNEIBRSA-N 401.166 2.465 50 40 HEGB N#Cc1ccnc(Nc2nc(C3CCN(Cc4ccc(B(O)O)cc4)CC3)cs2)c1 585295207 PYBIWJIZLJFDFS-UHFFFAOYSA-N 419.319 2.213 50 40 HEGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccccc1[N+](=O)[O-] 1879101 BLKADNCAKSCVBJ-DJKKODMXSA-N 405.208 2.237 50 40 HEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1cccc([N+](=O)[O-])c1 33346736 WSTGQAASPTWLQR-ODLFYWEKSA-N 410.415 2.391 50 40 HEGB C[C@H](SCc1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 40143165 ARCLXUMTABIDAK-AWEZNQCLSA-N 421.544 2.020 50 40 HEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 59459765 WIYLRBZPVREJKZ-GIJQJNRQSA-N 421.207 2.455 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccc(Cl)c1 408741066 NRNIFRIAOBUMQN-DGURAOSJSA-N 400.847 2.120 50 40 HEGB O=C(N/N=C/c1cccc(O)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408881624 LJJOKWLETJICFH-RONKMWSCSA-N 407.879 2.349 50 40 HEGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCC(N)=O 408973736 UPVICWPHKFAWPV-FOKLQQMPSA-N 411.414 2.468 50 40 HEGB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NNC(=O)c1ccncc1 1235807 IAMGCACNTGZQSJ-NTCAYCPXSA-N 412.496 2.134 50 40 HEGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccncc1 8820400 DDIFXTLVLIGBTN-QSJINSDNSA-N 424.507 2.300 50 40 HEGB CCOC(=O)/C(=N\Nc1sc(C(=O)OC)c(C)c1C(=O)OCC)C(=O)CCl 12732669 NYWCFYLFQVBDGF-WQRHYEAKSA-N 418.855 2.159 50 40 HEGB Cn1cc(Br)c(C(=O)NNC(=O)c2ccc(Br)cc2)n1 707314 JZKMEYUHZBAFIO-UHFFFAOYSA-N 402.046 2.020 50 40 HEGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CCN(CC)C[C@@H]32)c2ccccc21 971501 BJNNCZUFVNCTKV-CYFREDJKSA-N 410.481 2.119 50 40 HEGB O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccncc1 12923995 VRSGEYPRTYEQJI-UHFFFAOYSA-N 414.418 2.096 50 40 HEGB O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1cc(Br)c[nH]1 61459212 WBFIAJFZMFVTLC-WQRHYEAKSA-N 400.229 2.228 50 40 HEGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O 408782865 KDNMWTBGBCSJTR-KEBDBYFISA-N 423.878 2.263 50 40 HEGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([C@H]3C[C@@H]3c3ccccc3)o1)C(C#N)=C(N)O2 36636089 MQISZXRMKZHQOH-GLJUWKHASA-N 416.437 2.166 50 40 HEGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c1 58880840 HANTUBCKFNIMMG-FSJBWODESA-N 410.474 2.296 50 40 HEGB O=C(N[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2I)OCc1ccccc1 238856751 XBTHKQKFXVBAQV-WZBKEBKWSA-N 413.211 2.276 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 409249292 HFIUQFROVXESLP-DXRSZSRVSA-N 410.474 2.377 50 40 HEGB COc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3ccccn3)s2)c1 2621483 XBNJHIMSNMTYJV-UHFFFAOYSA-N 416.488 2.239 50 40 HEGB Cc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 20207578 BNDSGYHPAJLYDY-VXLYETTFSA-N 424.866 2.473 50 40 HEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409117598 LJBLSGYRSDOLLO-LPYMAVHISA-N 420.466 2.091 50 40 HEGB COc1ccc(-c2noc(CCC(=O)NNC(=O)c3cc(Cl)ccc3O)n2)cc1 11838117 FNLGIHCYKPLHRT-UHFFFAOYSA-N 416.821 2.498 50 40 HEGB COc1cc(Br)cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1O 13596129 YQXRWNFXQKKGOT-XXZGICNZSA-N 407.220 2.453 50 40 HEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(O)c(OC)c3)CC2)c1 1103056 AYFQBIBGLVVSQR-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc(Br)c1O 3081739 IIJYCHYEUGGRJB-ODCIPOBUSA-N 424.226 2.183 50 40 HEGB N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1cccnc1 409168034 KZSXFVBRCPIGOL-SFQUDFHCSA-N 415.453 2.441 50 40 HEGB O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccccc1 2690696 RJKXWMPLFQUWLX-UHFFFAOYSA-N 408.277 2.164 50 40 HEGB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NNC(=O)c1cccs1 3334563 ZPIQIMWMEYJCJQ-UHFFFAOYSA-N 402.501 2.319 50 40 HEGB CCOc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)cc1 4505812 QGKVOOFCKGABLE-QQTULTPQSA-N 408.458 2.091 50 40 HEGB O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9339501 JHYMXGSMMFAUKD-UHFFFAOYSA-N 424.482 2.094 50 40 HEGB C[C@@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)NNC(=O)C1CC1 12763205 BNKAXEWJJGWUNN-SECBINFHSA-N 406.533 2.043 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20211685 ZFXDZUUBNGMLSC-FYJGNVAPSA-N 405.451 2.307 50 40 HEGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(N3CCOCC3)o2)cc1 83301694 BAAHCKMJWZSCDR-OMNSNBSWSA-N 401.463 2.479 50 40 HEGB COc1ccccc1/C=C/C=C1/C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 100958959 SFHDRPRWWBFOTO-WWXTUYTNSA-N 412.467 2.031 50 40 HEGB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408679463 FFWFSUURQDLWJG-CQSLXQFASA-N 411.208 2.113 50 40 HEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 13922368 CNCZHRBUEPAUAF-UFFVCSGVSA-N 421.837 2.463 50 40 HEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNc2ccccc2)cc1OC 409385834 KBVLCZPSMHBDOT-LSHDLFTRSA-N 405.838 2.463 50 40 HEGB CN1C(=O)/C(=N\NC(=O)c2cccc(I)c2)c2ccccc21 100864462 BEYNDHVNDWRSPI-JXAWBTAJSA-N 405.195 2.402 50 40 HEGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccc(Cl)cc2Cl)cc1 409053011 GDXMWZPCCVFAFI-UHFFFAOYSA-N 402.303 2.483 50 40 HEGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)c1 409152593 KJDDNUCFWWCIPJ-ZMOGYAJESA-N 410.474 2.235 50 40 HEGB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)c1ccccc1C 12871055 LTXJLKPQZYFYOF-QGZVFWFLSA-N 415.515 2.316 50 40 HEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 20211936 RCHPJGXBZSWRMM-LPYMAVHISA-N 420.466 2.091 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2Cl)cc1C 33547451 NUSDCSHSOXANIN-JAIQZWGSSA-N 409.895 2.428 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccc1Cl 408740499 LCTDGZOMGNXZCV-RNDVCUHJSA-N 400.847 2.120 50 40 HEGB Cn1nc(C(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2c1=O 5615396 BQXFOEHPLVOENY-UHFFFAOYSA-N 414.849 2.206 50 40 HEGB COc1cc(C(=O)N/N=C/c2ccc(O)cc2O)ccc1I 6180915 LRIULZZJACQJQH-CAOOACKPSA-N 412.183 2.475 50 40 HEGB COc1ccc(OCC(=O)N/N=C\c2ccc(I)o2)cc1 35296347 SJEPYIYXDVMXNG-PXNMLYILSA-N 400.172 2.422 50 40 HEGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408781454 SMMKKGYETAKBFN-RGVLZGJSSA-N 423.878 2.182 50 40 HEGB O=C(CNC(=O)c1ccco1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 5768887 VOWBIRKELABXSX-QLYXXIJNSA-N 416.437 2.119 50 40 HEGB COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(N)=O 35771472 CFTRFEQRMSFNDG-UKWGHVSLSA-N 406.236 2.086 50 40 HEGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 58883132 YHQFYRTWSFCKGT-GEUHTFEZSA-N 411.458 2.133 50 40 HEGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408811521 MNAWCYIAUANLCW-YVLHZVERSA-N 410.426 2.479 50 40 HEGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)c(C)c1 4553355 LESVWMKPTMQPQV-WYMPLXKRSA-N 422.485 2.358 50 40 HEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)c(OC)c2c1OCO2 15108112 NZVYNXNIZGEKGZ-CQSZACIVSA-N 419.397 2.436 50 40 HEGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O 19955373 YWQWGSPZMCHURK-YBFXNURJSA-N 404.448 2.128 50 40 HEGB O=C(NN[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O)c1c[nH]c2ccccc12 35682784 IHSIPUFPWSTKTO-SFHVURJKSA-N 407.474 2.445 50 40 HEGB CS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(Br)cc1 96519155 ZSHPPEHVARGZSO-DTWKUNHWSA-N 405.051 2.288 50 40 HEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408592558 ZIJOIPNTZPLQBM-DEDYPNTBSA-N 413.390 2.032 50 40 HEGB NC(=S)NNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 17837442 FBFZKDNQYQHIAC-UVTDQMKNSA-N 419.304 2.084 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1OC 19955335 GYHNGDUBERGOEI-CIAFOILYSA-N 419.503 2.237 50 40 HEGB O=C(N[C@H](C(=O)O)c1ccc(B(O)O)cc1)OCC1c2ccccc2-c2ccccc21 196154990 MSFDGFWJUCOZBW-NRFANRHFSA-N 417.226 2.031 50 40 HEGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1 8085956 IDYDCTPKHMRCNE-BUVRLJJBSA-N 422.485 2.339 50 40 HEGB CN(C)P(=O)(NCCSSCCNP(=O)(N(C)C)N(C)C)N(C)C 104817187 ASZJJTZREUNHOM-UHFFFAOYSA-N 420.526 2.010 50 40 HEGB COc1ccc(S(=O)(=O)NNC(=O)Cc2cccc3ccccc23)cc1OC 12973760 QYXTVKFJLJVQFJ-UHFFFAOYSA-N 400.456 2.409 50 40 HEGB O=C(COc1ccccc1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839302 IPGOIWJSSJUCKA-UHFFFAOYSA-N 411.845 2.390 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1 20213578 MIIGELIDEBMRGK-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB Cn1c(CC(=O)NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)nc2ccccc21 22616144 IIDLVTFWZOECQQ-UHFFFAOYSA-N 414.469 2.251 50 40 HEGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c([N+](=O)[O-])cc1OC 44395292 OCLGMNCGWVYBFL-QGMBQPNBSA-N 405.436 2.261 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 107787590 GYVBNUXSACMBJG-VXLYETTFSA-N 424.866 2.160 50 40 HEGB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 139068618 TYVSRUBDGGFVDE-SJSAEFMNSA-N 411.208 2.113 50 40 HEGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2ccccc2)cc1OC 409121933 VZZFPBJEVBCRRX-UHFFFAOYSA-N 405.476 2.411 50 40 HEGB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)c1ccc(F)cc1 12979097 BWJUHPNTADUPCX-MRXNPFEDSA-N 419.478 2.147 50 40 HEGB COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)ccc1OC(C)=O 16321829 PBPZKEKIGQMPFV-KCDOPAPYSA-N 409.442 2.087 50 40 HEGB COc1ccc(CC(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 32795652 FKHFCXYXXBUKCI-AWEZNQCLSA-N 401.850 2.092 50 40 HEGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 40160242 NFTQRIIDUDVETN-LBPRGKRZSA-N 414.849 2.124 50 40 HEGB CCN(CC)c1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101301562 GCXVNTWGAZXBGR-IUTYPILCSA-N 415.968 2.373 50 40 HEGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 5272606 UDUVPVUCKPMQQS-KRWDZBQOSA-N 407.455 2.341 50 40 HEGB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 2270147 PXZGNGVADZIYNL-CQSZACIVSA-N 407.220 2.247 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 6323033 ZZLNFFJZOCLYBU-ZVHZXABRSA-N 410.474 2.379 50 40 HEGB CCc1ccc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)cc1 14245368 BQTABVOUTNDATC-SFHVURJKSA-N 403.504 2.013 50 40 HEGB COc1ccnc(NNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)n1 46363437 NUBUOFXYESUKSJ-GJZGRUSLSA-N 413.478 2.410 50 40 HEGB Cc1ccc(NC(=O)/C(C#N)=C\[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408855989 IHGYZIAGVQQAFE-VWILAXROSA-N 404.451 2.448 50 40 HEGB O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccccc1 7939987 OFOUDOCZEYTZPN-UHFFFAOYSA-N 417.849 2.453 50 40 HEGB CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6931159 ODLGJDUIRPZURC-UHFFFAOYSA-N 403.504 2.357 50 40 HEGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3cnc4ccccc43)o2)cc1 13146250 YGJJCAUDOVVFHB-FOKLQQMPSA-N 423.454 2.094 50 40 HEGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1Cl 408778933 ZSYLGUZTZKQXDP-KEBDBYFISA-N 413.858 2.404 50 40 HEGB CCOc1cccc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])c1O 9948708 COBOMKYVORSJKH-JMIUGGIZSA-N 419.390 2.489 50 40 HEGB C[C@H](S[C@H](C)C(=O)NN=C1CCSCC1)C(=O)NN=C1CCSCC1 16989895 QDXASEPLSKVXGR-TXEJJXNPSA-N 402.611 2.495 50 40 HEGB COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 6457996 JMDVGPZYQLMIIU-UHFFFAOYSA-N 408.823 2.206 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C)cc2)cc1Cl 33759089 QVYARUBKVCXERB-JAIQZWGSSA-N 409.895 2.428 50 40 HEGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1cc(Cl)ccc1O 4498153 LLDDXYZHKSHCQY-WNFQYIGGSA-N 411.809 2.178 50 40 HEGB CN(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 8042712 BKJLYABEFTVHQQ-VCHYOVAHSA-N 410.839 2.019 50 40 HEGB CCNC(=O)COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCC3)cc1 12893719 YZCROQRUYMSFRS-UHFFFAOYSA-N 401.488 2.217 50 40 HEGB COc1ccc(C(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 15939291 COSBAKKHILUNHZ-UHFFFAOYSA-N 406.442 2.206 50 40 HEGB CC1(C)O[C@H]2CO[C@H]3OC(C)(C)O[C@]3(/C=N/NC(=O)c3cc4ccccc4[nH]3)[C@@H]2O1 38797034 GHSQPBSXDHFYSL-GQTZIKQISA-N 415.446 2.282 50 40 HEGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCOC)c2C)cc1 409001835 LBCCYPYLQPACTL-UCQKPKSFSA-N 400.479 2.096 50 40 HEGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)cc1OC 409056734 IDPJQWRGXGRWCC-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OC 2256125 GGQOHIPRIPFYFE-HXUWFJFHSA-N 424.501 2.344 50 40 HEGB Cc1ccccc1Cn1cc(NC(=S)NNC(=O)c2ccnn2C(F)F)cn1 2798441 SVULNZXNLDLBKK-UHFFFAOYSA-N 405.434 2.463 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(OC)c(O)c2)c1 3205016 KLVMJKLANMOBMB-DEDYPNTBSA-N 405.476 2.195 50 40 HEGB Cc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)cn1 14246338 HOBLMJUSCIXUPY-UHFFFAOYSA-N 405.336 2.375 50 40 HEGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1O 2353831 TUXPHAKESXIOJS-UZSVJVCZSA-N 407.220 2.453 50 40 HEGB O=C(CCc1nnc(-c2ccsc2)o1)NNC(=O)c1cc(Br)c[nH]1 30883753 KNQABXWNVFJQLS-UHFFFAOYSA-N 410.253 2.283 50 40 HEGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c(=O)c1C#N 408602927 PANYTZAUZZVUHU-BHGWPJFGSA-N 410.474 2.360 50 40 HEGB CCOC(=O)c1sc(N/C=C2\C(=O)NC(=O)C(C#N)=C2C)c(C(=O)OCC)c1C 104820292 LMRTWWFNPIFHRW-WQLSENKSSA-N 417.443 2.202 50 40 HEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(CCC(N)=O)c2ccccc12 408567405 MTGDKZUBVGUXNL-SSDVNMTOSA-N 409.402 2.197 50 40 HEGB CCn1nc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c2ccccc2c1=O 6007231 DQDMFMDHBXBADG-UHFFFAOYSA-N 415.409 2.415 50 40 HEGB CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2c(C)nn(-c3ccccc3)c2O)C1=O 16249357 RFGKUROEGAUKBP-GZTJUZNOSA-N 420.425 2.042 50 40 HEGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 408906949 KYUFQFBWYCFALS-RCCKNPSSSA-N 419.503 2.400 50 40 HEGB COc1cccc(/C=C/C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 4895519 SUHNXFKDOOLVEL-ZHACJKMWSA-N 408.502 2.068 50 40 HEGB COc1ccc2cc(C(=O)NNC(=O)c3ccccc3O)sc(=O)c2c1OC 32594771 LPIYDDKLEQPGPW-UHFFFAOYSA-N 400.412 2.059 50 40 HEGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 408772050 KVQKHBKOXCSOKC-VXLYETTFSA-N 424.866 2.473 50 40 HEGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)cc1)S(C)(=O)=O 408779695 HZYHDMHFUQUULS-RCCKNPSSSA-N 419.503 2.400 50 40 HEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1OC 409351671 USOXWIFHJNOJGP-LYUVJKPTSA-N 406.822 2.084 50 40 HEGB Cc1c(Cl)cccc1N1C(=O)C[C@@H](NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 2656199 VJPJTHLAPYGJIB-CQSZACIVSA-N 402.794 2.123 50 40 HEGB O=C1N=C(S)N(C2CCCCC2)C(=O)/C1=C/NNC(=O)c1ccccc1Cl 9319575 QYOTWLHJGMEIPT-JLHYYAGUSA-N 406.895 2.446 50 40 HEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 25602884 GBRSTDGKFADBFG-BFUOFWGJSA-N 416.528 2.334 50 40 HEGB O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5O)[C@H]43)[C@H]12 245241657 MEEZXDNYDCPARC-ZQBHEHACSA-N 401.465 2.330 50 40 HEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)OC)C(O)=N1 2293251 IPBNALVXJWKEQF-CABCVRRESA-N 419.415 2.469 50 40 HEGB COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 6181666 FFHHOGDSYLOWQB-UDWIEESQSA-N 400.391 2.481 50 40 HEGB CCOc1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1 13021980 HQKNHZSTWVIHPS-GOSISDBHSA-N 401.438 2.440 50 40 HEGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cccc(OCC(=O)O)c1)c1ccccc1 409002329 NFJPFFPOOCACMW-ZFJBLLOBSA-N 413.430 2.478 50 40 HEGB CCc1ccc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)cc1 14200270 WCZBOWHVQQXBOK-INIZCTEOSA-N 409.533 2.075 50 40 HEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 25602880 GBRSTDGKFADBFG-ORAYPTAESA-N 416.528 2.334 50 40 HEGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(=O)O)cc1)c1ccccc1 408977019 CCZNTTJLNCNXMS-MNOULKQQSA-N 413.430 2.478 50 40 HEGB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 1053106 HHVGVWBYUGPHMT-QHCPKHFHSA-N 415.405 2.301 50 40 HEGB O=C(NN(CCc1ccncc1)C1=NS(=O)(=O)c2ccccc21)c1ccccc1 1092792 LFNFMQVOHGQHPB-UHFFFAOYSA-N 406.467 2.420 50 40 HEGB COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2ccccc21 2309522 TVYUPANJQAFTJL-SILNSSARSA-N 416.231 2.103 50 40 HEGB CCn1nc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O 6886850 NKAWVYVZJSHPKA-UHFFFAOYSA-N 402.357 2.093 50 40 HEGB CCCc1c(C(=O)N/N=C/c2c(OC)ccc3ccccc23)nnn1-c1nonc1N 9498105 RCCRIDNADXMLEV-SSDVNMTOSA-N 420.433 2.111 50 40 HEGB COc1ccc(C(=O)NNC(=O)CN2CCC(Cc3ccccc3)CC2)cc1OC 12977803 WXKRCZDVDMMLDD-UHFFFAOYSA-N 411.502 2.420 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1Br 408614667 GBQVWYPWNVEITI-LLVKDONJSA-N 420.238 2.402 50 40 HEGB COc1ccc(OCC(=O)N/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409235657 PNNJLIWMKMVLAH-GMDDEGIZSA-N 402.403 2.085 50 40 HEGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(O)c(OC)c1 20130075 AMEPQTLQMDDTMO-GOSISDBHSA-N 415.471 2.044 50 40 HEGB COc1ccc(CC(=O)NNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 24461982 ZYBVAURIGWVVES-UHFFFAOYSA-N 413.518 2.108 50 40 HEGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC)cc1 59515597 YEILDHRENXIGPE-SRZZPIQSSA-N 420.263 2.233 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 408776583 WIZIICZIWKINPL-XDHOZWIPSA-N 404.448 2.074 50 40 HEGB COc1ccc(/C=N\NC(=O)c2nn(-c3cccc(C)c3)c(=O)c(C#N)c2C)cc1 409068066 KAMBLOASJYIVLH-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB Cc1ccsc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 2443391 UYLUVEOLPXBPBR-REZTVBANSA-N 400.449 2.095 50 40 HEGB COc1ccc(C(=O)N[C@H](C(=O)NNC(=S)NCc2ccccc2)C(C)C)cc1 5295570 IXAUSOWLAMDLDD-SFHVURJKSA-N 414.531 2.145 50 40 HEGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 9360528 UHXHPGGTWCTQJZ-HXUWFJFHSA-N 400.354 2.309 50 40 HEGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)c2nn(C)cc2Cl)cc1 4652044 WJDYGLWOMVHSNN-DJKKODMXSA-N 410.883 2.122 50 40 HEGB COCc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 5248744 ZYPVVNBCIMIJHS-QHCPKHFHSA-N 413.437 2.475 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 6430289 OPUJIOKMPFDGCF-FSJBWODESA-N 416.865 2.334 50 40 HEGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Br)c1O 409270962 SGJZEGWHMDPUAL-UFFVCSGVSA-N 420.263 2.238 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C1/C(=O)Nc2ccccc21)c1cccc2ccccc12 19955221 JOILMIFJHCVEPG-UHFFFAOYSA-N 422.466 2.078 50 40 HEGB C[C@@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118915915 BATUORYJCLTZTR-SQQVJSAMSA-N 422.610 2.354 50 40 HEGB Cc1ccc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)c(C)c1 14802501 TZYLUGLIEIXZBW-SFHVURJKSA-N 421.494 2.207 50 40 HEGB Cc1cccc(C)c1OCC(=O)NNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 40120846 SLDPAGFHEHJJIU-UHFFFAOYSA-N 408.458 2.008 50 40 HEGB O=C(CCCCC(=O)NNC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1 100006910 NSPWDOUUYQRRGD-UHFFFAOYSA-N 412.450 2.253 50 40 HEGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1F 408846220 PNLPSGIMJOCLFD-CFRMEGHHSA-N 408.433 2.403 50 40 HEGB CCOCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 33939366 KCDJMZGQZWWADM-QINSGFPZSA-N 403.460 2.044 50 40 HEGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2Cl)c1-c1cccs1 2447760 AXIOEEWWRMPOKS-UFWORHAWSA-N 414.838 2.378 50 40 HEGB CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3ccccc32)CC1 20220173 OJZYUFOSFZJCOL-NMWGTECJSA-N 411.893 2.026 50 40 HEGB O=C(CCC(=O)OCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1 7939964 UDXUAPSLXLKCLA-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 20211744 CDLULUQNWIAVCA-LPYMAVHISA-N 420.466 2.091 50 40 HEGB O=C(CCCc1cccs1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7652767 NFFBNIWTAKQMBX-UHFFFAOYSA-N 421.544 2.317 50 40 HEGB COc1ccc(C)cc1/C=C/C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 5261875 ADGXHMULWWTQJP-PKNBQFBNSA-N 422.529 2.377 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1 6327605 VTLCTGLMGTVQJA-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB O=C(COc1ccc(Nc2ccccc2)cc1)NNC(=O)CN1CCCCCC1=O 7183900 IEZNUJIOZLLFTC-UHFFFAOYSA-N 410.474 2.359 50 40 HEGB O=C(NN/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N=C1O)c1ccncc1 9046652 LFWFCLGMQAVYRJ-LCYFTJDESA-N 419.319 2.342 50 40 HEGB O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1ccccc1 7939958 MNNFVMFVSZCKNU-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB COc1ccc([C@@H](CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)NC(C)=O)cc1 22904907 CXXOYZGCDDCFMR-SCLBCKFNSA-N 417.437 2.017 50 40 HEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1C 409164872 OYTQPGPCCSQJID-ZVHZXABRSA-N 422.485 2.393 50 40 HEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(=O)O)cc3)CC2)cc1 1095066 ISJYZZHFMYUWEI-OEAKJJBVSA-N 409.442 2.396 50 40 HEGB C[C@H]1CCc2sc(C(=O)NNC(=O)CCS(=O)(=O)c3ccccc3)cc2C1 6602917 PSSBQAHHEPSJHP-ZDUSSCGKSA-N 406.529 2.498 50 40 HEGB CC(C)NC(=O)CSc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 8273370 PCXDWYGJJCKTDE-UHFFFAOYSA-N 415.471 2.107 50 40 HEGB O=C1[C@H]2[C@H](C(=O)N1c1cccnc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 101509768 DDLAHPMIMLVXEQ-ZKSVUJDCSA-N 400.070 2.364 50 40 HEGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(F)c1 408963186 XRFQIGMVYBNIRD-ZMOGYAJESA-N 408.433 2.403 50 40 HEGB N#CC1=C(O)NC(=O)[C@@H]([n+]2ccccc2)[C@H]1c1ccccc1I 3656943 BMBUFKKFTCLMIK-GJZGRUSLSA-O 418.214 2.327 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1 6295756 WNZOWHQBYYKVPW-FSJBWODESA-N 414.849 2.110 50 40 HEGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)cc1 8086159 UWMDEZXLBARRLN-YDZHTSKRSA-N 410.474 2.241 50 40 HEGB NC(=O)N[C@H](CC(=O)NNC(=O)c1ccccn1)c1cccc(Oc2ccccc2)c1 8198277 OXMCFDLZVVDQRP-LJQANCHMSA-N 419.441 2.435 50 40 HEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20207749 BJOGSEAJZDGPMI-PXLXIMEGSA-N 416.503 2.260 50 40 HEGB CCOc1cc(C(=O)NNC(=O)[C@H]2CCn3cncc3C2)cc(OCC)c1OCC 89990933 LLXKKLCCFBKAOE-AWEZNQCLSA-N 416.478 2.103 50 40 HEGB N#CC1=C(N)n2c(s/c(=C/c3cccc(F)c3)c2=O)=C(C#N)[C@H]1c1cccc(F)c1 706146 AQHHEOWNVBOGQG-UUVGHFPGSA-N 418.428 2.139 50 40 HEGB CCCn1nc(C(=O)NNC(=O)COc2cc(C)ccc2C)c2ccccc2c1=O 12995080 AGOJXSSDIMLOCH-UHFFFAOYSA-N 408.458 2.263 50 40 HEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 20207599 FEKBVNSUZANMDB-PXLXIMEGSA-N 416.503 2.260 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1O 408765206 XHJQGVZJNMVNHW-MRUVXERFSA-N 419.503 2.162 50 40 HEGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1)Nc1ccc(Cl)cc1 409264841 GGIAZPNOQZNFIP-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)c(C)c2[nH]c1=O 4132088 OUAVPJMOTIESIY-GOSISDBHSA-N 409.442 2.416 50 40 HEGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)sc(C(N)=O)c1C 6825032 FYQYZWMZOCBAEQ-JXMROGBWSA-N 402.432 2.147 50 40 HEGB CCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 16100617 JFBYRGFZVLFSTM-UHFFFAOYSA-N 424.475 2.125 50 40 HEGB COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)c([N+](=O)[O-])cc1OC 108163913 NYGBOORWVWTSCS-AERZKKPOSA-N 416.419 2.271 50 40 HEGB CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1 4904224 LDFOZCAZKNUQBK-WSDLNYQXSA-N 402.418 2.226 50 40 HEGB CCN(CC)c1ccc(O)c(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1 5736178 UHCYRBYIVXXXRY-WSDLNYQXSA-N 411.441 2.181 50 40 HEGB CCN1CCC(=NNC(=O)CCCCCC(=O)NN=C2CCN(CC)CC2)CC1 5952516 RDLJFEISWSJOMA-UHFFFAOYSA-N 406.575 2.113 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 6430254 OMYDUCDZVKDRCB-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB C[C@@H](NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1)c1ccccc1 7939986 YLCAQSUOVLPMEL-MRXNPFEDSA-N 411.458 2.039 50 40 HEGB CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SCCS1 408590875 QYDQSJGKPCUWKQ-LDADJPATSA-N 410.521 2.468 50 40 HEGB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCBr 4616376 KFMHNVLJIZWFRJ-UHFFFAOYSA-N 411.252 2.293 50 40 HEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C1 13479771 UTNOVQNYIKGJND-FXAWDEMLSA-N 419.485 2.458 50 40 HEGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)c([N+](=O)[O-])c1 408881060 LZJUCVRQHWGCDV-MDWZMJQESA-N 407.386 2.339 50 40 HEGB COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCC(=O)N1CCCC1 409197208 YOPNBVQNPHPTEW-FYJGNVAPSA-N 401.488 2.451 50 40 HEGB O=C(NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cncc(Br)c1 1073451 NZJKHMNABULFAQ-ZDUSSCGKSA-N 423.654 2.064 50 40 HEGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 12869835 FYOSIZFXSCHBTJ-UHFFFAOYSA-N 409.895 2.445 50 40 HEGB Cc1ccc(-c2c(C(=O)N/N=C/c3cc(F)ccc3F)nnn2-c2nonc2N)cc1 13748875 JVJYAIIGUPVVJU-NUGSKGIGSA-N 424.371 2.250 50 40 HEGB O=C(CSc1ncccn1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408862543 GARVRDQIIQIIIC-YDZHTSKRSA-N 413.503 2.110 50 40 HEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(=O)O)CC2)cc1 1095070 JQYFSRWMXUJFJR-OEAKJJBVSA-N 409.442 2.396 50 40 HEGB COc1cccc(/C=N/NC(=O)COc2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3116016 BSUKSIGSGVWIRX-GIJQJNRQSA-N 404.335 2.049 50 40 HEGB CCOC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)OC(C)(C)C 5828848 AEASTATZRUTDNB-OAHLLOKOSA-N 423.466 2.181 50 40 HEGB CCOc1cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)ccc1OCC(C)C 12768193 PIOSFKUCXNSXHG-UHFFFAOYSA-N 424.457 2.431 50 40 HEGB Cn1nc(C2CC2)c2c(C(=O)NNC(=S)NC[C@H]3CCCO3)cc(C3CC3)nc21 17090047 JYJMCYWOFDFHDK-CYBMUJFWSA-N 414.535 2.011 50 40 HEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)Cc3csc(N4CCCC4=O)n3)cc2C1 8023299 BUJAAYDMXTYMAA-LLVKDONJSA-N 418.544 2.460 50 40 HEGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O 408773486 QXXLZFJKRFFMEO-VXLYETTFSA-N 424.866 2.473 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408908633 WZKNNNVGFTVYQP-GNUZOCDUSA-N 405.476 2.009 50 40 HEGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C\c1ccc(Cl)cc1Cl 31870538 SOGORDJSGOFIBT-FFSIBOBYSA-N 408.241 2.400 50 40 HEGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CCN(CC)C[C@H]32)c2ccccc21 33687600 BJNNCZUFVNCTKV-NTKDMRAZSA-N 410.481 2.119 50 40 HEGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)cc1Cl 409000105 MNURPTAYOXSAQH-SRZZPIQSSA-N 405.838 2.169 50 40 HEGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 12998404 JCVLURDRYCPZPY-WDEREUQCSA-N 403.435 2.487 50 40 HEGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(OC)c2)S(C)(=O)=O)cc1 20214890 FSVAJHXCHLPPRB-GNUZOCDUSA-N 405.476 2.009 50 40 HEGB COC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O 2197526 OEHHJPRALIUMNW-BMRADRMJSA-N 415.453 2.101 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 6647870 WOSXCONBWSWBMG-ZVHZXABRSA-N 410.474 2.379 50 40 HEGB Cc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)n1 14511398 NVVAIWLPLOAXQO-CYBMUJFWSA-N 403.508 2.271 50 40 HEGB N#CC1=C(O)NC(=O)[C@H]([n+]2ccccc2)[C@@H]1c1ccccc1I 2190311 BMBUFKKFTCLMIK-HUUCEWRRSA-O 418.214 2.327 50 40 HEGB O=C(NN/C=C1\C(=O)N(c2cccc(Cl)c2)C(=S)N=C1O)c1ccncc1 34237525 BNUURKHZKLYIAI-LCYFTJDESA-N 401.835 2.142 50 40 HEGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)O 408567944 QTKWFHPDQJMOGU-UWVJOHFNSA-N 407.766 2.484 50 40 HEGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 408783041 MLQVSSZQLINBGG-VXLYETTFSA-N 424.866 2.473 50 40 HEGB COc1cccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c1 408987248 FIDCQMCVYVLQAO-GZQNEBGJSA-N 421.457 2.406 50 40 HEGB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)c2ccc(F)cc2)cc1 12811511 VTGBPULHMBIJTJ-SFHVURJKSA-N 419.478 2.139 50 40 HEGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)COc3c(C)cccc3C)CC2=O)cc1 9909028 UFNCBPBEVBHBEV-IBGZPJMESA-N 409.486 2.187 50 40 HEGB CN1C(=O)/C(=N/NC(=O)c2ccc(I)cc2)c2ccccc21 14010328 BGWLDZHTQILIAS-NBVRZTHBSA-N 405.195 2.402 50 40 HEGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966364 MDYZJSIQQIIKEF-OEAKJJBVSA-N 410.499 2.434 50 40 HEGB COc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 4383786 OCUCXWLHEUOTIN-LPHOPBHVSA-N 405.458 2.068 50 40 HEGB Cn1ccnc1COc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 40119778 VXAIYTSIICMQST-UHFFFAOYSA-N 418.251 2.165 50 40 HEGB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(=O)CCl)N3[C@@H]1O 100375835 LAHDERDHXJFFJU-TUXPEKOHSA-N 402.922 2.344 50 40 HEGB in-man COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2c(C)cccn2c1=O 2414151 RKIJTHILPQLEIH-DTQAZKPQSA-N 404.426 2.465 50 40 HEGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(C(=O)OC)c2)cc1 10292742 MUHJUMSCXZUGLT-UHFFFAOYSA-N 413.430 2.052 50 40 HEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 104321950 DEPWJLJAUWTCMJ-LGMDPLHJSA-N 403.394 2.278 50 40 HEGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCC(=O)c1cccs1 3322847 OIRJELUCUINMRB-UHFFFAOYSA-N 424.862 2.377 50 40 HEGB COc1ccc(Br)cc1/C=N/NC(=O)Cc1n[nH]c(=O)c2ccccc12 4113049 FNAKCPUPGXHXKD-KEBDBYFISA-N 415.247 2.387 50 40 HEGB COc1ccc(N2C(=O)[C@H]3[C@@H](SC(N)=C(C#N)[C@@H]3c3ccco3)C2=O)cc1OC 102383955 QXHKDYDDTWKKLA-BRWVUGGUSA-N 411.439 2.379 50 40 HEGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCC(N)=O 5817895 AYMKFHHLOYNDNQ-SFHVURJKSA-N 417.425 2.168 50 40 HEGB COc1cc(/C(C)=N/NC(=O)c2cc(Br)cn2C)ccc1OCC(=O)O 13269034 OWLUEFGSWUIFRJ-VXLYETTFSA-N 424.251 2.414 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408797518 SAVIANUUUUZHRL-GHRIWEEISA-N 409.442 2.382 50 40 HEGB O=C(NNC(=S)NC(=O)c1cc(Br)ccc1Cl)c1ccncc1 2065664 LYYOZWDIAZUWJK-UHFFFAOYSA-N 413.684 2.447 50 40 HEGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc21 5014755 WPOSNPUGUYYRID-LFIBNONCSA-N 406.442 2.220 50 40 HEGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)c(C)c1 6414940 ABIREUKWXRIGSH-CIAFOILYSA-N 402.520 2.106 50 40 HEGB O=C(NNC(=O)[C@@H]1CC=CCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12769086 JOFVUGFMXXWSTJ-QGZVFWFLSA-N 413.499 2.282 50 40 HEGB CC(=O)Nc1cccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)o2)c1 7604848 BMZSMTLDCITUGT-UHFFFAOYSA-N 411.443 2.248 50 40 HEGB C=CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 3052092 CVKUQIVGBTTXBL-UHFFFAOYSA-N 411.314 2.498 50 40 HEGB O=[N+]([O-])N(CC[C@H](Br)CBr)S(=O)(=O)c1ccccc1 3124861 UJMDUZOSYULNDL-VIFPVBQESA-N 416.091 2.418 50 40 HEGB Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 3323796 OFNURCFVFMCTGH-UHFFFAOYSA-N 401.488 2.244 50 40 HEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)COc2ccc(Br)cc2)c1C 6901533 JBCISYVGDASQMV-UHFFFAOYSA-N 408.252 2.437 50 40 HEGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1F)S(C)(=O)=O 408783832 ROANTFPKGSKMTN-KEBDBYFISA-N 413.858 2.404 50 40 HEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCC(N)=O 5817896 AYMKFHHLOYNDNQ-GOSISDBHSA-N 417.425 2.168 50 40 HEGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccccn1 4892827 OYOUDKVZJGPDSU-HUCPFDPDSA-N 400.070 2.364 50 40 HEGB CCN(CC)CCn1c([C@H](Cl)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 5883559 DYVRMWKHBRAOAS-OAHLLOKOSA-N 403.914 2.104 50 40 HEGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2)c1-c1cccs1 9308146 AWLNJLKMRBKTRI-UFWORHAWSA-N 414.838 2.378 50 40 HEGB COc1ccc(/C=N\NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c(OC)c1 16729650 CJQMLLVDWVMTGK-WNFQYIGGSA-N 400.460 2.242 50 40 HEGB COc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1OC 36137546 PRIVCIFEBBCSLL-NVMNQCDNSA-N 411.199 2.467 50 40 HEGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 58912226 CSVVFYHWTSDEIT-RIDKEVFESA-N 402.882 2.493 50 40 HEGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)COc2cccc(Cl)c2)c2ccccc21 100891085 QHCHUTHPDPHJOH-FCDQGJHFSA-N 415.833 2.149 50 40 HEGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(C)oc2C)ccc1C 3314301 PMRKJNRIWMJOII-UHFFFAOYSA-N 407.492 2.310 50 40 HEGB O=C(CSc1nc2ccccc2s1)NNC(=O)[C@@H]1COc2ccccc2O1 15794953 JSXJWEIIZJFTHE-AWEZNQCLSA-N 401.469 2.376 50 40 HEGB CN1CCC(=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 57315469 VFELYZGDECTHLW-UHFFFAOYSA-N 414.531 2.464 50 40 HEGB C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 409117022 NGEXXCXWJCIBAU-XDHOZWIPSA-N 408.411 2.040 50 40 HEGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2)S(C)(=O)=O)cc1 19954861 JMSXDOJMNGTVRB-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CN2CCOCC2)cc1 409002452 ZZNWYZNBGWNQPN-HYARGMPZSA-N 411.462 2.257 50 40 HEGB COc1ccc(C(=O)NNC(=O)[C@@]2(C)CC2(Br)Br)cc1 2317043 WDPMBXUMMDQYTB-GFCCVEGCSA-N 406.074 2.352 50 40 HEGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)cc1OC 2338353 IRTAUELURHXOGD-IBGZPJMESA-N 411.458 2.429 50 40 HEGB CC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 5163423 JOVRAXLZIQMQHL-XUTLUUPISA-N 401.488 2.252 50 40 HEGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1Br 35324231 QTXQTWNYQYNRLS-CQSZACIVSA-N 405.204 2.121 50 40 HEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCOCC2)c(F)c1 409139500 ANWVRZJLMHHREY-MTJSOVHGSA-N 402.382 2.100 50 40 HEGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)ccc1Br 6500903 FXHHGTPKXWWNCD-CHWSQXEVSA-N 413.268 2.175 50 40 HEGB Cc1ccc(C)c(SCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 12846595 WTORJOCVNTWTQZ-UHFFFAOYSA-N 406.533 2.150 50 40 HEGB Cc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 100572013 IYXJDZLDYZMOBQ-OAHLLOKOSA-N 402.248 2.324 50 40 HEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)n1 409126091 ASTXXZONTQEURF-SRZZPIQSSA-N 403.483 2.312 50 40 HEGB CCOc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(Br)o3)C2=O)c1 1073447 XETUZMHRUIRUPP-GFCCVEGCSA-N 422.235 2.007 50 40 HEGB O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccc(O)cc1O 1926024 BYSNNXXAZZRVMN-UHFFFAOYSA-N 419.187 2.042 50 40 HEGB CC(C)c1c(C(=O)N/N=C/c2c(Cl)cccc2Cl)nnn1-c1nonc1N 2335590 HZNRRSMBJZKFCQ-KPSZGOFPSA-N 409.237 2.427 50 40 HEGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 7869236 BPTCHRLMWWTSPB-BUVRLJJBSA-N 413.474 2.302 50 40 HEGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccccc1O 8661002 BGIWZDDLGBLZGT-GXDHUFHOSA-N 417.468 2.038 50 40 HEGB O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 3424210 YGZLJBJTMKQBHD-UHFFFAOYSA-N 407.879 2.199 50 40 HEGB Cc1ccc(C)c(OCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 6123216 SLMHDPWLSWGOGL-UHFFFAOYSA-N 424.545 2.432 50 40 HEGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)c(OC)c1 6261751 BHOFSMKQRRRZAG-LDADJPATSA-N 411.505 2.072 50 40 HEGB Cn1cnnc1Sc1ccc(C(=O)NNC(=O)c2cccs2)cc1[N+](=O)[O-] 13129396 OHKFTVNGXZVWPZ-UHFFFAOYSA-N 404.433 2.011 50 40 HEGB COc1ccc(C(=O)N[C@@H](C(=O)NNC(=S)NCc2ccccc2)C(C)C)cc1 28621240 IXAUSOWLAMDLDD-GOSISDBHSA-N 414.531 2.145 50 40 HEGB Cc1ccccc1NC(=O)/C(C#N)=C\[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408745382 REKXTPKARQTTKK-SYCZXOQXSA-N 404.451 2.448 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1cc(Cl)cc(Cl)c1 408868570 MWVUZFPXLRQOGA-DJKKODMXSA-N 401.275 2.305 50 40 HEGB COC(=O)c1c/c(=N\NC(=O)CC(=O)Nc2ccccc2OC)c2ccccc2o1 1628512 ZKBLTTCSYKRFKG-HZHRSRAPSA-N 409.398 2.189 50 40 HEGB Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC(C)C 6868105 FTWMFTMGKQAEIE-FSJBWODESA-N 410.474 2.296 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 19955331 ADADUEAIIZVTHZ-CIAFOILYSA-N 419.503 2.237 50 40 HEGB O=C(NNc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccccc1 408724321 BAQNLBICXVERTD-UHFFFAOYSA-N 406.450 2.022 50 40 HEGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc([N+](=O)[O-])o1 409040156 FRUHPOVFPOEZNF-FRKPEAEDSA-N 414.159 2.355 50 40 HEGB Cc1ccc(OCC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c([N+](=O)[O-])c1 13895413 ULRDGOZXXPRPHF-WSVATBPTSA-N 402.319 2.069 50 40 HEGB CC(C)CCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1 3338440 BYXHTQSICCINHP-UHFFFAOYSA-N 401.438 2.442 50 40 HEGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 12755019 KZDRJWNAKOKXQQ-AWEZNQCLSA-N 412.467 2.472 50 40 HEGB CCOC(=O)C1=NO[C@@H](Cc2c(C=C(C#N)C#N)c(OC)c3c(c2OC)OCO3)C1 15084725 DHDYEHQCWMPUMP-LBPRGKRZSA-N 413.386 2.114 50 40 HEGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCCC(C)C 27026443 OUCUMQYYXSFJPQ-BRVCPTFNSA-N 406.504 2.330 50 40 HEGB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(SC#N)c1O 409046729 LMTXZGYWFXVBJY-MLPAPPSSSA-N 411.395 2.346 50 40 HEGB COc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(F)cc2)c(=O)c(C#N)c1C 409059637 ROOQGYSDDQOYKK-MSXFZWOLSA-N 405.389 2.324 50 40 HEGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1C 3369763 PQSOBHHEZLYLNM-UHFFFAOYSA-N 409.895 2.086 50 40 HEGB COc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 4383785 OCUCXWLHEUOTIN-APWZRJJASA-N 405.458 2.068 50 40 HEGB COc1cc(/C=N/NC(=O)Cn2nc(C)cc2C)ccc1OC(=O)c1cccnc1 6686983 QJUSZGKRKKDQSL-FOKLQQMPSA-N 407.430 2.273 50 40 HEGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 12912663 YTCSEIJSQZDKFH-UHFFFAOYSA-N 416.503 2.021 50 40 HEGB CC(C)(C)c1ccc(C(=O)NNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 17518552 KDJOJGDUZHTRIL-UHFFFAOYSA-N 414.506 2.390 50 40 HEGB Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c(C)o1 32795362 OGOIAMSREDSQOY-LBPRGKRZSA-N 420.263 2.473 50 40 HEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 254714156 SUJHMEYDTSBRJF-QXGZCGDFSA-N 413.474 2.337 50 40 HEGB COc1cccc(NC(=O)[C@H]2CC(=O)N=C(NNC(=O)c3ccc(C)cc3)S2)c1 2264051 FTLGVMZGLQGRTQ-MRXNPFEDSA-N 412.471 2.265 50 40 HEGB COc1cc(C(=O)NNC(=O)Cc2ccc(Br)cc2)cc(OC)c1OC 2726379 MONPLRZSOZIDAC-UHFFFAOYSA-N 423.263 2.479 50 40 HEGB CCCn1nc(C(=O)NNC(=O)CCN2[C@H](C)CCC[C@H]2C)c2ccccc2c1=O 3334138 XYKPGYCJSUOXDH-HZPDHXFCSA-N 413.522 2.221 50 40 HEGB CCCOc1ccc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 54128185 DNVCZFNWWJNYSA-GYKGCMEESA-N 414.483 2.255 50 40 HEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(Br)c2)cc1 223157429 NKFSRNRAMRQCKL-GRSHGNNSSA-N 404.220 2.325 50 40 HEGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(Br)s3)C2=O)cc1 9715892 PATCTKWCXBTICR-LLVKDONJSA-N 424.276 2.086 50 40 HEGB COc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1[N+](=O)[O-] 408848592 REDQCXVIHOGMDG-WTKPLQERSA-N 401.160 2.203 50 40 HEGB Cc1c(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])nn(-c2ccc(F)cc2)c(=O)c1C#N 409071922 SVCKRQXSMWEYCM-KSEXSDGBSA-N 420.360 2.224 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 409162688 GZXOWIGKRLEQOF-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB Cc1cc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1 4897827 IFPRZDPGAPGJEI-GLPSNENLSA-N 404.058 2.265 50 40 HEGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 6579166 RKPHHPTYZQPVIE-DJKKODMXSA-N 407.220 2.470 50 40 HEGB Cc1ccc(S(=O)(=O)c2cnc3n(c2=O)C[C@H](CBr)S3)cc1 28405848 CTITZZKGEYWVFZ-JTQLQIEISA-N 401.307 2.254 50 40 HEGB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)CI)cc21 408536004 VDVWAMXRTIFPJH-UHFFFAOYSA-N 418.191 2.125 50 40 HEGB CCCCNc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 4247570 HHGAVWPVHGKBCA-UHFFFAOYSA-N 414.418 2.425 50 40 HEGB COc1ccc(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)[nH]n2)cc1 9540106 QQHYMHGPIGKLDW-UHFFFAOYSA-N 406.358 2.080 50 40 HEGB COc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1Br 13001164 ZVFAZENSVUQIHI-HNNXBMFYSA-N 407.220 2.059 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 19953707 PTXZWAQPXQDPDK-HFITWMCCSA-N 419.503 2.399 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1 47080856 AYSLTDRCUXRLIO-ZDUSSCGKSA-N 402.248 2.263 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1cccc2ccccc12 408532746 IWKJRHCSHXSRSX-FCBNZUMWSA-N 418.453 2.439 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccccc3OC)c(=O)c(C#N)c2C)c1 409060074 SGDNSHDECSMLGO-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNC2CCCCC2)cc1OC 409383645 YXGTYJPHLOAQLF-LSHDLFTRSA-N 411.886 2.273 50 40 HEGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCC(N)=O 7386541 IMVSYXYEINUSQE-ZVHZXABRSA-N 410.474 2.314 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 409251600 PYBQCFFTAAWOKD-DXRSZSRVSA-N 410.474 2.377 50 40 HEGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)c1C 409258637 YKJURSCDYPREQA-FSJBWODESA-N 408.458 2.050 50 40 HEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1O 6380676 QTRUKZDWDITFAK-UFWORHAWSA-N 410.199 2.391 50 40 HEGB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccncc3)cc2)cc1 6919673 WINGDXLYSANOLJ-UHFFFAOYSA-N 410.455 2.266 50 40 HEGB O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1ccc(COc2ccccc2)o1 24923478 SWQHURFKKTWVAW-UHFFFAOYSA-N 418.409 2.030 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1F 408616125 WGQVACMGYWCUPW-LLVKDONJSA-N 420.238 2.402 50 40 HEGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)NCc1ccccc1 3666582 VUONQXOEXXPMEN-LLVKDONJSA-N 410.257 2.225 50 40 HEGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 11667615 ITPQMPMFAKDQJU-UHFFFAOYSA-N 410.883 2.170 50 40 HEGB CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246554 JWBDYHCPWHIHGU-NVMNQCDNSA-N 404.692 2.284 50 40 HEGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1[N+](=O)[O-] 4739455 HIRJVYQSWQGEIK-UFFVCSGVSA-N 400.391 2.399 50 40 HEGB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccco2)cc1 17257478 MGVSDDOLKGVQPE-UHFFFAOYSA-N 405.476 2.308 50 40 HEGB Cc1cc(C(=O)NNC(=O)CN(C)C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 32907417 RMARDZGVLBXACO-UHFFFAOYSA-N 412.421 2.359 50 40 HEGB CNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408835721 XVFYKCDPEMCDJJ-POHAHGRESA-N 421.240 2.494 50 40 HEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3[N+](=O)[O-])c(C)c(C#N)c2=O)cc1 409071420 RHOVOWGDJFFTBM-FMCGGJTJSA-N 416.397 2.393 50 40 HEGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 20210049 KUSVZSYLDDNHCI-KGENOOAVSA-N 419.503 2.400 50 40 HEGB CN1C(=O)/C(=N\NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21 100464635 JAFTUQDHWTZXEK-XLNRJJMWSA-N 406.471 2.218 50 40 HEGB COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)cc1 408826569 FBCKRHBCLXOTQZ-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(O)c1 8826380 VELRMYXKYVHYLC-SRZZPIQSSA-N 424.910 2.303 50 40 HEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1C 58880884 JMVJIFBBKBUYDU-FSJBWODESA-N 410.474 2.296 50 40 HEGB O=C(NNS(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccccn1 95453660 GCEVDGYSTVJEJI-UHFFFAOYSA-N 408.636 2.260 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1 409028660 POTVUDSNEVKVIJ-KGENOOAVSA-N 402.520 2.231 50 40 HEGB Cc1cccc(OCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1C 5199515 MRAZCYSOUPSYKR-UHFFFAOYSA-N 410.518 2.042 50 40 HEGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3cc(OC)cc(OC)c3)CC2=O)c1 12985285 KHXRBNTXVITKGG-MRXNPFEDSA-N 411.458 2.080 50 40 HEGB COc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 31769596 CXBOKPCUZWVJOW-OCKHKDLRSA-N 406.782 2.354 50 40 HEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@H](c3ccccc3O)c3sc(=O)[nH]c3S[C@H]12 100871991 MEEZXDNYDCPARC-QFWOYFARSA-N 401.465 2.330 50 40 HEGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)cc3)c(C)c(C#N)c2=O)cc1 409067063 JBCSZIDSAXOLCF-CFRMEGHHSA-N 401.426 2.445 50 40 HEGB COc1cc(/C=N/NC(=O)CSc2ncccn2)cc(Br)c1OC 6229728 VMZVCWKKMRKTFA-UFWORHAWSA-N 411.281 2.499 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 6430323 AAPXXISBKSVUBL-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB CC[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 12733664 BYAQROJBEQHDBK-CYBMUJFWSA-N 405.476 2.303 50 40 HEGB COc1cc(OC)cc(C(=O)NNC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1 17060800 BYHFGRGWTSSTPH-UHFFFAOYSA-N 415.837 2.321 50 40 HEGB COc1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1O[C@H](C)C(=O)O 409241176 RVCMZGMSDBUQSW-PJICWNCHSA-N 402.403 2.085 50 40 HEGB NC(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccccc1 668691 RGOHLVOWEAHVJV-UFFVCSGVSA-N 405.252 2.147 50 40 HEGB COC(=O)COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC 9934530 GCNXLHJSSMKVQD-WYMPLXKRSA-N 423.425 2.324 50 40 HEGB O=C(N/N=C/c1cc(Br)ccc1O)[C@@H](c1ccncc1)N1CCOCC1 20029346 WCSXSFXABUGTAD-KKJJZKEWSA-N 419.279 2.073 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1F 408616126 WGQVACMGYWCUPW-NSHDSACASA-N 420.238 2.402 50 40 HEGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1 408707368 JLMRUQILHXWPSN-CIAFOILYSA-N 419.279 2.405 50 40 HEGB CCC(CC)C(=O)NN(C(=O)c1ccncc1)[C@H]1CC(=O)N(c2ccccc2)C1=O 5149737 SROVZVWNHKJADY-SFHVURJKSA-N 408.458 2.323 50 40 HEGB COc1cc(C(=O)NNC(=O)c2cc(Cl)nc(Cl)c2)cc(OC)c1OC 2565064 GGRJCZBYHZRLRJ-UHFFFAOYSA-N 400.218 2.489 50 40 HEGB CCOc1ccc(S(=O)(=O)NNC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 12852106 YOSJCBPGJIUVGH-UHFFFAOYSA-N 412.851 2.133 50 40 HEGB CC(C)n1nc(C(=O)NNC(=O)c2ccc(Br)o2)c2ccccc2c1=O 13019486 QPZBJMDMUVZCDI-UHFFFAOYSA-N 419.235 2.408 50 40 HEGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc(Cl)cc2)=N\NC(=S)NN)s1 17213183 ICMMDLUKXDNWCM-IPVGOPCVSA-N 423.955 2.323 50 40 HEGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(F)cc1 19851663 WOYBFOAZKWSKFG-YDZHTSKRSA-N 401.438 2.196 50 40 HEGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccccc2)cc1 20215161 DOUGLDXYMOMVHB-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(F)cc1 408614741 HBWSOTJZJKJBCS-LBPRGKRZSA-N 420.238 2.402 50 40 HEGB COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1OC 58882792 GLEALMVAGILYGF-QRVIBDJDSA-N 413.474 2.300 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O 408785565 HMZGEWBUEJNUHE-KGENOOAVSA-N 402.520 2.231 50 40 HEGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 12755014 KZDRJWNAKOKXQQ-CQSZACIVSA-N 412.467 2.472 50 40 HEGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 2645926 WHRZLPWJJCMQGV-UHFFFAOYSA-N 401.488 2.326 50 40 HEGB O=C(CSc1nnc2ccccn12)NNC(=O)c1ccc(Br)cc1 3505494 NMAQDJJQENNZQC-UHFFFAOYSA-N 406.265 2.045 50 40 HEGB CCOc1ccccc1C(=O)NCC(=O)NNC(=O)CSc1ccc(Cl)cc1 9885437 DQQDQHDLTABCGP-UHFFFAOYSA-N 421.906 2.408 50 40 HEGB COc1cc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O)ccc1OC(F)F 12504725 ROPWFTBFJZQRKT-WDZFZDKYSA-N 406.345 2.027 50 40 HEGB Cn1c(NNC(=O)COc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 2346559 XCTCRRRQDNDRJX-UHFFFAOYSA-N 414.487 2.368 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)ccc1O 19682624 UGEGTFKROZGJQA-BUVRLJJBSA-N 410.518 2.367 50 40 HEGB CC(=O)NCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 101401880 YMMVJNPHWLDKCQ-CQSZACIVSA-N 413.452 2.220 50 40 HEGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccc1 2175987 IKYVSJAAHVSOEE-WSDLNYQXSA-N 414.259 2.341 50 40 HEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 409232413 HHTXEWFKHDOSDY-QGMBQPNBSA-N 405.436 2.261 50 40 HEGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)c2ccc(C)cc2)C(C)C)c1 2662221 SLGLNLXCYOAYNI-IBGZPJMESA-N 413.474 2.228 50 40 HEGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccc(Br)cc1 408973723 QCIFPNSBIUHMNU-DJKKODMXSA-N 403.215 2.392 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1cc(Cl)ccc1Cl 409026180 IHIXDPZJNMABOH-DJKKODMXSA-N 401.275 2.305 50 40 HEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1 409165648 AJQUOSBIHSYKRV-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 13006471 LZDOUQAOMJEFHI-UHFFFAOYSA-N 414.487 2.218 50 40 HEGB Cc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C)cc2)C=3C#N)cc1 13739455 LOUOEDDCFYHESO-TUJQNWBVSA-N 410.502 2.478 50 40 HEGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 19951161 FEIUEQYZHFNIBV-HYARGMPZSA-N 410.455 2.133 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)ccc1O 409059248 VSWJOLNIHWVEAL-CFRMEGHHSA-N 417.425 2.281 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 409258330 UMHHOLNRJQPNAF-CHOFVFFHSA-N 414.437 2.208 50 40 HEGB COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccccc2F)n1C 7981744 LLPUQYVIACAKCG-UHFFFAOYSA-N 415.450 2.183 50 40 HEGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)cc1 8086142 FBFIUGKGKJBIPM-YDZHTSKRSA-N 410.474 2.241 50 40 HEGB COC(=O)Cc1n[nH]c2c1[C@H](c1ccc(OC)c(Br)c1)C(C#N)=C(N)O2 15108117 UDQBHTOKHQMKHU-CQSZACIVSA-N 419.235 2.114 50 40 HEGB COc1ccc([C@@H](CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)NC(C)=O)cc1 22904900 CXXOYZGCDDCFMR-FZKQIMNGSA-N 417.437 2.017 50 40 HEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 103127597 SUJHMEYDTSBRJF-IGFLDPEWSA-N 413.474 2.337 50 40 HEGB O=C(/C=C/c1ccccc1)NN/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408535659 ZLAWTBYIOGPUKO-CYZWUHAYSA-N 410.817 2.141 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C 409249567 JUKSYLFTSSBGFX-OHHQFBAHSA-N 410.474 2.377 50 40 HEGB O=C(CCC(=O)OCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1Cl 7939980 UFUGYKUCEITNEV-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(Cl)c1 9483860 LGRADWSNBMSOIF-CIKBWMHTSA-N 405.863 2.032 50 40 HEGB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(F)cc1 13006150 BIDAEBFIZIZXEK-LBPRGKRZSA-N 407.442 2.415 50 40 HEGB CCOC(=O)COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC 409200644 ITXZWTRDQADFBO-JAIQZWGSSA-N 401.375 2.309 50 40 HEGB Cc1ccc(NC(=O)C[n+]2ccc(C(=O)NNC(=O)NC3CCCCC3)cc2)cc1 3294513 DPURAIMPPRGXPR-UHFFFAOYSA-O 410.498 2.198 50 40 HEGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(C)(=O)=O)cc1 20210737 FIKDWJATSRODJM-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3089319 WFPWPQYYOSQWQV-DAQNXSASSA-N 404.448 2.048 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c1 3277441 XMPYMBIJNNXJJV-DEDYPNTBSA-N 403.460 2.179 50 40 HEGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 59959640 BHVVYTSWMUCXRA-NFXIUMSZSA-N 424.501 2.165 50 40 HEGB COc1ccc(C(=O)NNc2cc(C)nc(NNC(=O)c3ccc(OC)cc3)n2)cc1 910233 PSWDYRRVPDLOFP-UHFFFAOYSA-N 422.445 2.316 50 40 HEGB COc1cccc(-c2c(C(=O)N/N=C/c3ccc(C)s3)nnn2-c2nonc2N)c1 2454443 NKVKLXISWHQACV-AWQFTUOYSA-N 424.446 2.042 50 40 HEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 5663525 KLKYLTUVEVYSPX-HOTGVXAUSA-N 402.794 2.389 50 40 HEGB Cc1cc(C)n(CC(=O)NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n1 9508702 UQDVVNPLHRWFHX-UHFFFAOYSA-N 420.882 2.143 50 40 HEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 12589874 CQWIDFOIATVUNJ-UHFFFAOYSA-N 416.228 2.120 50 40 HEGB O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 23109448 JQWXWXNRPUCKQF-YFHOEESVSA-N 417.421 2.100 50 40 HEGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 58873002 YRBURFIXBOTZNO-OYKKKHCWSA-N 408.458 2.155 50 40 HEGB CCOc1cccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1O 3574083 NSEATJDRJYSEQC-KGENOOAVSA-N 417.487 2.339 50 40 HEGB C/C(=C(/C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCOCC1 6021284 FQIFTCXJEPOKLQ-RAXLEYEMSA-N 414.409 2.241 50 40 HEGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1Cl 103517639 GMVBVKAVXXEFJU-ZMTLZGASSA-N 405.863 2.032 50 40 HEGB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NNC(=O)c1ccco1 12754702 YYZGUDACYYIENU-CQSZACIVSA-N 408.252 2.258 50 40 HEGB COc1cccc(C(=O)NCC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 27329787 CFBNGQUPYUTLDQ-GFCCVEGCSA-N 401.488 2.073 50 40 HEGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)ccc1Cl 59246929 DHPIXDYZBRXPFM-SRZZPIQSSA-N 405.838 2.169 50 40 HEGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)cc1 408906268 DZYUYLCLWSVPBY-HBBMIWKISA-N 419.503 2.399 50 40 HEGB C=CCC(=S)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 2335196 UGOJTAGAISEZHM-LBPRGKRZSA-N 401.941 2.265 50 40 HEGB Cc1occc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 6625894 ZHJPYCJMTYLAFG-UHFFFAOYSA-N 403.394 2.459 50 40 HEGB O=C(COC(=O)CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1 8416089 FQYKYBCJJUIBLI-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 19954227 ZCJVSKLYQPENLJ-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408688628 WKEITTXGDDEAJV-WMLLRYHISA-N 408.248 2.048 50 40 HEGB Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1ccc(O)cc1O 2255164 BHSDAEPNILGNLG-UHFFFAOYSA-N 412.427 2.011 50 40 HEGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 6375712 ZFUYQHASEORDME-WYMPLXKRSA-N 414.437 2.066 50 40 HEGB O=C(COC(=O)c1ccccc1NC(=O)c1ccsc1)NNC(=O)c1ccco1 12717421 XFPCUYSZONGIGP-UHFFFAOYSA-N 413.411 2.211 50 40 HEGB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(F)cc1 13006149 BIDAEBFIZIZXEK-GFCCVEGCSA-N 407.442 2.415 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409126205 AXZLUDHPSCCKJR-FYJGNVAPSA-N 405.451 2.307 50 40 HEGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)cc3O)s2)c1 3056497 NEHKATQOBITEPB-KEBDBYFISA-N 411.443 2.203 50 40 HEGB Cc1ccccc1SCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 5693262 USLKETXTHGQFJT-UHFFFAOYSA-N 412.559 2.447 50 40 HEGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 58873365 MVMYLQDBEOLZFH-FSJBWODESA-N 414.437 2.208 50 40 HEGB CCc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408678896 DQYRKRNHYDOTCH-HZMAYWFUSA-N 422.275 2.302 50 40 HEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(OC)c3O)CC2)cc1 409004129 ASLXXQPXWSMTHT-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2ccccc2Cl)cc1 9882955 RUQASPSDWMRZSY-UHFFFAOYSA-N 423.922 2.049 50 40 HEGB Cc1nn(CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 13006529 RXZVWVFUSKXLFA-UHFFFAOYSA-N 408.502 2.459 50 40 HEGB N#CC1=C2SCN(CCN3CCOCC3)CN2C(=O)C[C@H]1c1ccc(F)cc1 20348054 FLSRVXVNHBNFNP-KRWDZBQOSA-N 402.495 2.173 50 40 HEGB COc1cccc(C(=O)NCC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 27329782 CFBNGQUPYUTLDQ-LBPRGKRZSA-N 401.488 2.073 50 40 HEGB Cc1cc(N2C[C@H](C(=O)NNC(=O)c3ccco3)CC2=O)ccc1Br 32794905 DDSZUEZCQLNWIG-LLVKDONJSA-N 406.236 2.165 50 40 HEGB C/C(=N/NC(=O)c1ccco1)c1cc2c(cc1NC(=O)CCCC(=O)O)OCO2 5516819 BPDQICAUNLSXRE-NHDPSOOVSA-N 401.375 2.356 50 40 HEGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccc(COc2ccccc2)cc1 6786787 JMTCZSRAYGGDNH-UHFFFAOYSA-N 417.465 2.386 50 40 HEGB Cn1c(CC(=O)NNC(=O)COc2ccc(Br)cc2)nc2ccccc21 9477576 KZCPIAMAVGFUHV-UHFFFAOYSA-N 417.263 2.105 50 40 HEGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=C2CCCCCCC2)cc1 16321336 VEUDGRMJWUIGMY-UHFFFAOYSA-N 408.524 2.482 50 40 HEGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(Cl)c1 39986672 YAUJQVPHDFPLHC-JAIQZWGSSA-N 409.895 2.428 50 40 HEGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 58881282 DRTQYYMLJFPAIW-UFFVCSGVSA-N 403.822 2.289 50 40 HEGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1 408614593 DZHPKJLCLDIIMA-LBPRGKRZSA-N 403.385 2.178 50 40 HEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 25602871 GBRSTDGKFADBFG-DJJJIMSYSA-N 416.528 2.334 50 40 HEGB CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1ccccc1O)c1ccc(OC)cc1 100250562 PSMOAFFJTNXQAA-XSFVSMFZSA-N 405.476 2.097 50 40 HEGB CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(O)c([N+](=O)[O-])c1 408787181 UAYQNTXOGXJRDJ-OQFOIZHKSA-N 401.160 2.337 50 40 HEGB CC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)COc2ccc(F)cc2)cc1 6507830 JPMZXPGDWOXPJG-UHFFFAOYSA-N 415.465 2.470 50 40 HEGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(OCC(=O)O)cc1 20086091 HTFKMMVRSYCDTG-GOSISDBHSA-N 403.394 2.220 50 40 HEGB CCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3)nnn2-c2nonc2N)cc1 2448197 SMJPLHMQYOTBGV-WSDLNYQXSA-N 418.417 2.062 50 40 HEGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(O)c3)CC2)cc1 5173077 OIBSIFYMLLOJCO-KGENOOAVSA-N 401.488 2.252 50 40 HEGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 20207657 YFIDDSSATMPWLZ-RCCKNPSSSA-N 417.487 2.073 50 40 HEGB O=C1[C@H]2[C@@H](C(=O)N1c1ccccn1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 4892825 OYOUDKVZJGPDSU-DZGVJEGHSA-N 400.070 2.364 50 40 HEGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)cc1 6841398 HHCXZPYSGOHPLN-ZMOGYAJESA-N 410.474 2.235 50 40 HEGB COc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 10716560 RDBNSASYLOAUNM-UHFFFAOYSA-N 421.247 2.005 50 40 HEGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccc(C(F)(F)F)cn1 12521857 KMMYBQDYQZTIGS-UHFFFAOYSA-N 421.423 2.074 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 408784639 WGEWAQCKKQTIIW-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB C/C(=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(\C)c1cccnc1)c1cccnc1 4758948 MELPHSILISUKLF-WXFDVJJJSA-N 412.519 2.367 50 40 HEGB N#CC(C(=O)COC(=O)CCn1c(=O)oc2ccccc21)=C1Nc2ccccc2N1 8718839 UAEZCQBWRGFOGZ-UHFFFAOYSA-N 404.382 2.370 50 40 HEGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)[C@H]1COc2ccccc2O1 13597358 DKHGABQXORNFBN-ZMNVVMRHSA-N 422.191 2.353 50 40 HEGB COCc1cc(C)n(CC(=O)N/N=C/c2cccc(Br)c2)c(=O)c1C#N 15018645 WKIULVFHQAEACY-ZVBGSRNCSA-N 417.263 2.088 50 40 HEGB O=C(CCNC(=O)c1ccccc1Br)N/N=C/c1ccccc1C(=O)O 44965644 SLPYVOMVCNKNRD-SRZZPIQSSA-N 418.247 2.418 50 40 HEGB CC/C(NNC(=O)c1ccccc1O)=C1/C(=O)N(Cc2ccccc2)C(=O)N=C1O 9109287 RYEGSNCAVWIDPF-ICFOKQHNSA-N 408.414 2.410 50 40 HEGB O=C(COc1ccc(F)cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109289 PRSZMQAYVDRWBG-UHFFFAOYSA-N 413.380 2.015 50 40 HEGB Cn1nc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2Cl)ccc1=O 14201511 HMIPTMPIFVOJOB-UHFFFAOYSA-N 412.833 2.088 50 40 HEGB CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 15664084 WTUOUZBSIOCYHZ-UHFFFAOYSA-N 419.485 2.264 50 40 HEGB COc1ccc(/C=C(/C#N)C(=O)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 16027721 GSLQWEJSVRTABJ-FZGFUZEQSA-N 418.453 2.119 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 408776727 QTROJYXVNXJVFT-XSFVSMFZSA-N 418.475 2.464 50 40 HEGB COc1ccc(OCC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1 409021037 XCYBWLSDDPASIO-PJICWNCHSA-N 402.403 2.085 50 40 HEGB CCc1sc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1C 6559797 LQIFSQIEFNQLQV-UHFFFAOYSA-N 409.533 2.009 50 40 HEGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2Cl)c1-c1ccccc1 1057089 HQIDGOJVOMSUSE-UFFVCSGVSA-N 408.809 2.317 50 40 HEGB COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)Cc1ccccc1 2276213 WTGDKTBDHSINJZ-SRZZPIQSSA-N 404.264 2.267 50 40 HEGB O=C(CCSCCC(=O)NN=C1CCSCC1)NN=C1CCSCC1 4720901 WHLCAADHDIWAAI-UHFFFAOYSA-N 402.611 2.498 50 40 HEGB CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1 18167964 ZGOFHXVTWZOORG-UHFFFAOYSA-N 412.402 2.120 50 40 HEGB CC1=NN(c2ccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2)CC1 40144850 WTFGIQNJQOOYLT-UHFFFAOYSA-N 404.430 2.239 50 40 HEGB COc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 101316407 JDAOPCNDJDARHA-HVDUUVBESA-N 409.316 2.189 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccc(Br)c1 408616707 ZWZXSERHILJVQT-LBPRGKRZSA-N 420.238 2.402 50 40 HEGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408785589 HTCWMNZEWIJDJP-XDHOZWIPSA-N 408.411 2.040 50 40 HEGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccccc1 409268276 RVUXRKLGPVJWMH-ZMOGYAJESA-N 420.425 2.064 50 40 HEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccc(OC)c(OC)c1 409366829 YZDBVNQGHNVCDW-JAIQZWGSSA-N 403.391 2.322 50 40 HEGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2205033 VYEGBLJJIRMVAY-UMADGWCESA-N 421.501 2.277 50 40 HEGB COc1cc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2)cc(OC)c1OC 5111341 GCFPJKWCGPBCLC-MDZDMXLPSA-N 415.471 2.061 50 40 HEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C 2134775 RVVQXVVVNXUIRF-UHFFFAOYSA-N 414.418 2.157 50 40 HEGB COCCCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2ccccn2c1=O 2203687 KFNQTTJBDUOKCK-BMRADRMJSA-N 409.490 2.135 50 40 HEGB CN(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1ccc(F)cc1 6544390 RWJOZOANSXBAKA-WSDLNYQXSA-N 415.446 2.455 50 40 HEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccco1 9191472 RILXHAYGQYOJHR-RGVLZGJSSA-N 424.446 2.272 50 40 HEGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1cccc(F)c1 59246447 WVMBDUCSBMERSQ-QRVIBDJDSA-N 401.438 2.196 50 40 HEGB Cn1/c(=N/NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2ccccc21 13285717 ZJXLSRSRQMKJLW-VZCXRCSSSA-N 416.528 2.270 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 20211856 PFFKTWUVBNZEMB-FYJGNVAPSA-N 405.451 2.307 50 40 HEGB Cc1cc(C)nc(SCC(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)n1 32904523 IOOICJSHXLPUDB-LBPRGKRZSA-N 416.532 2.443 50 40 HEGB O=C(N/N=C/c1ccccc1O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 96576727 NCXRNZOGRISBJG-DORSJAEJSA-N 407.879 2.349 50 40 HEGB CCOC(=O)COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC 409209041 FIPGUEFLWCATFP-JAIQZWGSSA-N 401.375 2.309 50 40 HEGB COc1cc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc(OC)c1OC 1633535 CWANEKNGPVYVPP-CVEARBPZSA-N 406.822 2.254 50 40 HEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 16694114 RYWMEJYCNSPAIR-PDGQHHTCSA-N 408.439 2.280 50 40 HEGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccccc3F)nnn2-c2nonc2N)cc1 5100948 POUSMXVBTVHOJK-LSHDLFTRSA-N 406.381 2.111 50 40 HEGB CN(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1cc(Cl)ccc1Cl 6544831 DQYAMACTOHZIFE-DJKKODMXSA-N 401.275 2.159 50 40 HEGB CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1 12137098 WQROYQNOLWOHKI-UHFFFAOYSA-N 414.487 2.383 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1)NCCc1ccccc1 28214310 YZNNLZBCSNGDBE-YZSQISJMSA-N 422.529 2.360 50 40 HEGB Cc1c(C(=O)N/N=C\c2ccc(N(C)C)cc2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409056051 DQNUZGNXDVZRKU-MXAYSNPKSA-N 418.432 2.382 50 40 HEGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(O)c(O)c1 409259575 AVTBLTPJGPVMTE-QGMBQPNBSA-N 411.199 2.265 50 40 HEGB COc1cc(Br)cc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc12 10384465 GZJSEFNHDURDOP-UHFFFAOYSA-N 418.203 2.034 50 40 HEGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 100522808 LQSLHDTWDXVZBC-LPYMAVHISA-N 412.402 2.429 50 40 HEGB COc1ccccc1OCC(=O)N/N=C\c1ccc(O[C@@H](C)C(=O)O)c(OC)c1 409020635 RJXYWVVOPKJILK-GMDDEGIZSA-N 402.403 2.085 50 40 HEGB CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nnc1-c1ccco1 1368465 RBIPFOIMBKDSBP-UHFFFAOYSA-N 401.448 2.120 50 40 HEGB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 12535134 FVFSDMOZYOETCE-IBGZPJMESA-N 423.448 2.431 50 40 HEGB CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12803225 LVRARXHSQSAIJV-UHFFFAOYSA-N 424.910 2.252 50 40 HEGB COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@H]2C=C[C@@H]1[C@H]1[C@H](Br)[C@H](Br)[C@H]21 104429768 ORAZXYAVSPPWHK-IYDDCBTQSA-N 408.086 2.154 50 40 HEGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O 408781682 FAXXZPYDOBRWFM-KEBDBYFISA-N 423.878 2.263 50 40 HEGB O=C(Cn1nnc(Cn2cnc(Cl)c2Cl)n1)N/N=C/c1ccc(Cl)cc1 2153348 VGNMRVPQZSJITE-PTXOJBNSSA-N 413.656 2.028 50 40 HEGB CCC(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)CCCC4 4848082 NDZAQDCVDXPJDV-UHFFFAOYSA-N 418.548 2.430 50 40 HEGB O=C(OC[C@]1(O)[C@@H](Cl)C=C[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 13386231 OZXFMXVSIMKHPG-NTLWEQJWSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro COc1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6584136 ZLFSDDVIRNUFSW-RCCKNPSSSA-N 401.488 2.246 50 40 HEGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409028609 QGCSDZJSPJUUES-HMMYKYKNSA-N 418.475 2.486 50 40 HEGB Cc1ccc(C)c(OCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 5199606 PJLZCOZICLGVIX-UHFFFAOYSA-N 410.518 2.042 50 40 HEGB O=C(N/N=C\c1ccc(O)c(I)c1)[C@@H]1COc2ccccc2O1 31870524 JLLGVDMVAVDZGS-VHXYRJIDSA-N 424.194 2.287 50 40 HEGB Cn1c(=O)c(C(=O)NNC(=O)c2ccccc2Br)c(O)c2ccccc21 100551294 DIBZHDBTRAKQCF-UHFFFAOYSA-N 416.231 2.081 50 40 HEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408588653 JFVNFZKIWKKUMZ-DEDYPNTBSA-N 413.390 2.032 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 408782563 IIUKTLGECNKIEH-RCCKNPSSSA-N 419.503 2.319 50 40 HEGB O=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2624083 KCPDQAWHULLNPK-UHFFFAOYSA-N 405.451 2.075 50 40 HEGB CC(=O)NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 4855277 MGSZSLVADXBFBX-UHFFFAOYSA-N 402.867 2.242 50 40 HEGB Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(Br)c1 6203461 GVYLNUGFOUFXTC-RYUDHWBXSA-N 413.268 2.175 50 40 HEGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 12857182 JBAGIKLBNDWPRC-GOSISDBHSA-N 412.398 2.159 50 40 HEGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1Nc1ccccc1C 408709000 WEJLVRHOANCPAF-PDERCVKFSA-N 410.474 2.493 50 40 HEGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O 408771392 GDQLWKVTIIHWTP-KEBDBYFISA-N 423.878 2.263 50 40 HEGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1 409006749 KRVNCKKAWJZRQU-JXAWBTAJSA-N 421.453 2.478 50 40 HEGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)NC[C@H]1CCCO1 6240363 VLFFNYGZINDLHU-TZWLIRKLSA-N 409.236 2.115 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 6319868 DKCDYWLCYPZHJP-CJLVFECKSA-N 414.531 2.304 50 40 HEGB CN(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl 6544918 UZGWDOQOFWLBNG-DJKKODMXSA-N 401.275 2.159 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1 20210025 OXQSWFUQYAMIHP-KGENOOAVSA-N 417.487 2.176 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O 408786788 NSMYNLVLQULRFE-XDHOZWIPSA-N 404.448 2.074 50 40 HEGB CC(=O)N[C@H](C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)C 12784896 GVAIWCWOFFNEHV-FQEVSTJZSA-N 419.485 2.461 50 40 HEGB N#C/C(=C/c1csnn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 98008609 NCUIKGDENRLYHW-LCYFTJDESA-N 403.489 2.258 50 40 HEGB COc1cccc(C(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 408963459 ZNSRYRHDJWXGDC-ZVHZXABRSA-N 420.469 2.273 50 40 HEGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cccc(Cl)c1 9484719 KVSFNHJUZKLQNQ-AQTBWJFISA-N 400.866 2.177 50 40 HEGB CC(=O)N[C@@H](C(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(C)C 17441065 KWKDKXXKEFJMCB-HXUWFJFHSA-N 405.458 2.219 50 40 HEGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)cc1 19953517 NAXUBLFQHOFSAX-GNUZOCDUSA-N 405.476 2.009 50 40 HEGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cccc3cn[nH]c23)cc1 29607399 BZBNQXQDHSPYTH-UHFFFAOYSA-N 407.459 2.059 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408993212 VTFQTLJENPSEFN-GRMYTIJRSA-N 421.457 2.406 50 40 HEGB N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21 2244889 KQTNFISFBMCSPZ-XHPQRKPJSA-N 423.860 2.241 50 40 HEGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 408838118 RNUQFUGYLLZPPZ-LPYMAVHISA-N 401.850 2.342 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 6326056 IHEMSWXBJTZXGY-WYMPLXKRSA-N 410.474 2.216 50 40 HEGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)O 33591771 PGRQPSCMFYUVON-JAIQZWGSSA-N 401.375 2.150 50 40 HEGB COc1cccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)c1 59401600 IVJFRZRXFQAJIB-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408772466 PMKXSWGHVSGNGD-CIAFOILYSA-N 417.487 2.006 50 40 HEGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 12783233 FYCNHKYBSVBENC-UHFFFAOYSA-N 408.458 2.434 50 40 HEGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(Cl)c1 13654216 LGRADWSNBMSOIF-SLVCOGOPSA-N 405.863 2.032 50 40 HEGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)Nc1ccccc1C(F)(F)F 14945356 DQEXTHOJUIALEA-UHFFFAOYSA-N 421.404 2.433 50 40 HEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)n1 28215101 QQBDUVLAILTUOR-UFFVCSGVSA-N 415.519 2.239 50 40 HEGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(NC(=O)c2ccccc2)cc1 108991564 DGEFSWOBLDQGBD-DKKFBQAASA-N 419.437 2.223 50 40 HEGB O=C=Nc1ccc(OC(=O)COCCOCC(=O)Oc2ccc(N=C=O)cc2)cc1 209438124 LQNKBSFHTOEXKF-UHFFFAOYSA-N 412.354 2.165 50 40 HEGB CSc1ccc(C)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 12728921 HPNJPTNINUINKR-UHFFFAOYSA-N 421.544 2.107 50 40 HEGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 20608620 KNPGOXWGRGKADO-ATJXCDBQSA-N 410.474 2.484 50 40 HEGB COc1cc(C(=O)NNC(=O)c2ccc(C)cc2C)c([N+](=O)[O-])c(OC)c1OC 30058757 IFLJODUPXWAYRT-UHFFFAOYSA-N 403.391 2.312 50 40 HEGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](C)SCc1ccccc1 40144451 WIHZNHIGFZDEAE-CQSZACIVSA-N 420.560 2.371 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1 409026104 GHIBBWDBUMOXBF-XDHOZWIPSA-N 404.448 2.074 50 40 HEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCC(=O)N2CCCC2)cc1 818614 ILXVWBNVKWHFTD-FQEVSTJZSA-N 411.458 2.333 50 40 HEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(=O)O)cc3)CC2)c1 1103058 JUJPZVWISHXRPP-OEAKJJBVSA-N 409.442 2.396 50 40 HEGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCC(C)C 8571375 WLQYIQZYRAYQNS-ZMOGYAJESA-N 410.474 2.235 50 40 HEGB Cc1ccccc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccccc1C)C=2C#N 13739450 FZEHTKPOOVXXQD-IQKNENRKSA-N 410.502 2.478 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1OC 20060290 YFDNNDIOEYZPMF-RCCKNPSSSA-N 419.503 2.319 50 40 HEGB O=C(CCSCCC(=O)N/N=C\c1ccccc1O)N/N=C\c1ccccc1O 73116326 OYPNNXRUCQHQII-JZTLMNBPSA-N 414.487 2.212 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 409161757 AUWRCCCWZFYPGG-LSFURLLWSA-N 423.256 2.207 50 40 HEGB COc1cc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc(OC)c1OC 15108583 RUMQJGOBLNWGTE-UHFFFAOYSA-N 405.432 2.073 50 40 HEGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccccn1 100567698 OYOUDKVZJGPDSU-BCVMFUPTSA-N 400.070 2.364 50 40 HEGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 681315 CJUONMTYXJJEGA-AWQFTUOYSA-N 406.236 2.086 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)Nc1ccccc1 58874042 JTLFWKFNXFRMQZ-HZHRSRAPSA-N 408.458 2.167 50 40 HEGB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NNC(=O)c1cccnc1 1235805 AYHUJWIXFKLPAH-RVDMUPIBSA-N 412.496 2.134 50 40 HEGB CCn1nc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)c2ccccc2c1=O 6454673 FTYRXLAMEWDNBM-UHFFFAOYSA-N 402.813 2.213 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(CC)cc2)c1 6879472 AXIBYABMOSSZPK-ZVHZXABRSA-N 410.474 2.243 50 40 HEGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 12998403 JCVLURDRYCPZPY-GHMZBOCLSA-N 403.435 2.487 50 40 HEGB N#Cc1ccccc1Cn1cc(/C=N\NC(=O)CN2CCOCC2)c2ccccc21 15225526 YVFWFPTWNDPIFQ-QFEZKATASA-N 401.470 2.344 50 40 HEGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)Cc2ccccc2)cc1OC 59443897 LZLVFEBSYMITGM-UHFFFAOYSA-N 419.503 2.407 50 40 HEGB COc1ccc(N2C(=O)[C@@H]3SC(N)=C(C#N)[C@H](c4ccco4)[C@@H]3C2=O)cc1OC 102383952 QXHKDYDDTWKKLA-IXDOHACOSA-N 411.439 2.379 50 40 HEGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)c1 408772744 MXAOMDQTFCWGJS-YBFXNURJSA-N 404.448 2.128 50 40 HEGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2c(F)cccc2Cl)CC1 408985290 KFCHPANDBKHNJC-QRVIBDJDSA-N 418.856 2.287 50 40 HEGB O=C(COc1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408779024 PABZRUCBWUGYPB-FYJGNVAPSA-N 413.455 2.287 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1 408783047 MRHGAFGBEGGAHZ-KGENOOAVSA-N 419.503 2.400 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1C 408785662 AMCXPZWYGMFAMQ-YBFXNURJSA-N 404.448 2.128 50 40 HEGB O=C(O)COc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl 408855136 DUWUNIHGYUSVDP-UWVJOHFNSA-N 407.766 2.241 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1)NC[C@@H]1CCCO1 409111672 BKPZHLDUIVIIOI-XAOCGEIJSA-N 409.486 2.444 50 40 HEGB CC1(C)CC(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)CC(C)(C)N1 3668557 TZBYCOOJOWGITH-RGVLZGJSSA-N 409.328 2.325 50 40 HEGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 5704324 AMBFRQLMQMYHQX-GHMZBOCLSA-N 403.435 2.487 50 40 HEGB O=C(CNC(=O)c1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 18285788 PMIJXMDDOMPRCT-QYQHSDTDSA-N 412.449 2.484 50 40 HEGB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 102255131 WQVZBUZEYYYGHZ-CRABHEIQSA-N 415.534 2.306 50 40 HEGB Cc1cc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)[nH]n1 1097549 SGBROIBNIRYRDU-UHFFFAOYSA-N 403.236 2.474 50 40 HEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)OC)C(O)=N1 2293252 IPBNALVXJWKEQF-LSDHHAIUSA-N 419.415 2.469 50 40 HEGB COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 4416373 CBMJWCDBSFEKTK-ORTNRGLGSA-N 401.488 2.307 50 40 HEGB COc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(N)=O)c1 8166739 CJHVLNZVVOOUDZ-UKWGHVSLSA-N 406.236 2.086 50 40 HEGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N[C@H]1CCS(=O)(=O)C1 26688129 XNGCGLGWRWIFOP-SRXBQZRASA-N 401.400 2.065 50 40 HEGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)c1 33899262 OWFRQXXESGFHNF-FBHDLOMBSA-N 405.838 2.399 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1cccc2ccccc12 408532749 IWKJRHCSHXSRSX-GATWNQRKSA-N 418.453 2.439 50 40 HEGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c1 408777093 VBUDZYDEYQGPHO-YBFXNURJSA-N 404.448 2.128 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 409115569 JUPZLIYPYVVEAG-KGENOOAVSA-N 417.487 2.420 50 40 HEGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(O)c3)s2)cc1 1953712 HWNGPJVHGBAKMO-RGVLZGJSSA-N 411.443 2.197 50 40 HEGB CCOc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1O 3398876 XIUCSQKTDOUDLY-KGENOOAVSA-N 417.487 2.339 50 40 HEGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 20060303 SXIVKYQJRAMVRN-XMHGGMMESA-N 404.448 2.210 50 40 HEGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1[N+](=O)[O-] 408841507 KWWJEOGRHDPNRJ-UDWIEESQSA-N 413.390 2.412 50 40 HEGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(N)=O)nnc1-c1ccncc1 409196566 WDNMMQHOBPOYQY-KEBDBYFISA-N 412.435 2.422 50 40 HEGB O=C(CCCC(=O)OCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1 7939984 LXGMMARFGCSEJN-UHFFFAOYSA-N 417.849 2.453 50 40 HEGB CCOC(=O)NNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 12799818 DPXXENXBEXIQIA-UHFFFAOYSA-N 424.306 2.171 50 40 HEGB COCc1cc(C)n(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c(=O)c1C#N 4525774 WBHCTCWALROHLE-BHGWPJFGSA-N 404.426 2.184 50 40 HEGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 10215773 DITHBXNLIFJGJO-AWEZNQCLSA-N 409.417 2.324 50 40 HEGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccccc1Cl 39986669 BAGPENUSRWQQKM-JAIQZWGSSA-N 409.895 2.428 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 6428365 YEXFBXVYQPAKKA-ZVHZXABRSA-N 410.474 2.379 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)cc1 6879462 GDVPWCZRWIKGSU-ZVHZXABRSA-N 410.474 2.243 50 40 HEGB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NNC(=O)c1ccncc1 7780259 CHDRFTHSRYFHLR-UHFFFAOYSA-N 402.410 2.072 50 40 HEGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@H]3C[C@@H]3C)cc2)cc1 15797817 JUOSHOPXVVFOEZ-KXBFYZLASA-N 415.515 2.233 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Br)cc1 408615754 RTEJEICOWLJTOL-GFCCVEGCSA-N 420.238 2.402 50 40 HEGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408771342 HEBXMNIXGRZQNV-CIAFOILYSA-N 417.487 2.145 50 40 HEGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc2c(c1)OCCO2 5582869 XNBKMAJNLGLOFK-UHFFFAOYSA-N 402.204 2.307 50 40 HEGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)cc1 5928951 APVJEXQZZUXXIH-ZMOGYAJESA-N 410.474 2.235 50 40 HEGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccccc1Cl 6984980 GSQFYIPWUJYDOS-LBPRGKRZSA-N 407.829 2.214 50 40 HEGB Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc3ccccc3c2)cc1[N+](=O)[O-] 8034107 CCJIXSXTFQCCCR-UHFFFAOYSA-N 415.427 2.445 50 40 HEGB CSc1nccn1-c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 40134539 LMEKGUYTOJKNOM-KRWDZBQOSA-N 410.455 2.195 50 40 HEGB C=CCOc1ccc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 100958950 UTOMPKXJHBFMHE-GYKGCMEESA-N 412.467 2.031 50 40 HEGB O=C(COc1ccccc1)NNC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 408637666 MPPYHKXNKHKOQF-UHFFFAOYSA-N 417.878 2.444 50 40 HEGB Cc1nnc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)s1 408690241 ULHXUTJVYNBCNN-MVEQLIQHSA-N 421.114 2.129 50 40 HEGB Cc1cccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2cccc(C)c2)C=3C#N)c1 714353 XGFMUNVFIALRJE-TUJQNWBVSA-N 410.502 2.478 50 40 HEGB O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1Cl 1103752 KZVWVTUKJMAEAG-UHFFFAOYSA-N 406.225 2.441 50 40 HEGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(=O)Nc1cccc(C)c1 4690814 WRJXVPVPLKMWDG-ZVHZXABRSA-N 410.430 2.226 50 40 HEGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccc1Br)c1ccccc1 10963007 GHSZVVJNLJFPAF-AWEZNQCLSA-N 405.252 2.010 50 40 HEGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(SC)cc2)CC1 59444350 NQZMUESMPWPTGR-PXLXIMEGSA-N 412.515 2.216 50 40 HEGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNc2cccc3ccccc23)c2ccccc21 5700433 AWGBICUHBSAZGM-ROMGYVFFSA-N 416.437 2.292 50 40 HEGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(OC)c2)S(C)(=O)=O)cc1 20214887 FSVAJHXCHLPPRB-ZXOFLVKFSA-N 405.476 2.009 50 40 HEGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(N3CCOCC3)c(F)c2)c1 409145471 IKRAVBZGLSSAMG-UCQKPKSFSA-N 400.454 2.257 50 40 HEGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CCN(CC)C[C@@H]32)c2ccccc21 664203 BJNNCZUFVNCTKV-YADARESESA-N 410.481 2.119 50 40 HEGB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NNC(=O)c1ccccc1 4811679 RFFXYNQCCNHALS-GHRIWEEISA-N 400.394 2.241 50 40 HEGB O=C(COC(=O)CCCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1Cl 8412960 PVYYRSIESIPYSO-UHFFFAOYSA-N 417.849 2.453 50 40 HEGB O=C(CN1CCN(c2ncccn2)CC1)NN=C(c1ccccc1)c1ccccc1 36383382 NZFVHAMBKVSOKI-UHFFFAOYSA-N 400.486 2.167 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 104090391 QTTNQQQOFWPMJR-ZOBUZTSGSA-N 407.536 2.304 50 40 HEGB CCN(CC)CCn1c([C@@H](Cl)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 1697319 DYVRMWKHBRAOAS-HNNXBMFYSA-N 403.914 2.104 50 40 HEGB Cc1cc(C)nc(SCC(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)n1 32904522 IOOICJSHXLPUDB-GFCCVEGCSA-N 416.532 2.443 50 40 HEGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O 408780565 DWIWNIDUCVDLGG-AWQFTUOYSA-N 423.878 2.293 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 409271486 LMBDWTQZBROFCP-OHHQFBAHSA-N 410.474 2.377 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 6879492 XFHVZWJMYQVCMI-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB C[C@@H](C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1)N1C(=O)c2ccccc2C1=O 38198277 GQXDAHYESYYXAH-LBPRGKRZSA-N 416.393 2.056 50 40 HEGB O=C=Nc1ccc(OCC(=O)OCCOC(=O)COc2ccc(N=C=O)cc2)cc1 114673756 NBOULDXIZHKQCW-UHFFFAOYSA-N 412.354 2.165 50 40 HEGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(I)o1 409366626 XGJQWKCBGSCYHS-RQZCQDPDSA-N 412.183 2.348 50 40 HEGB CCOc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc(OC)c(OC)c1 2620259 LCDTYNVKKIJKAW-ZRDIBKRKSA-N 400.431 2.342 50 40 HEGB O=C(Cc1ccccc1)NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 32795075 QYWRTPHFAAWZDB-CQSZACIVSA-N 416.275 2.192 50 40 HEGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2247429 PIWJHLLCZACTNG-AUUYWEPGSA-N 407.426 2.283 50 40 HEGB C[C@@H](S[C@H](C)C(=O)NN=C1CCSCC1)C(=O)NN=C1CCSCC1 4803827 QDXASEPLSKVXGR-VXGBXAGGSA-N 402.611 2.495 50 40 HEGB CN(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 8042720 DJIQGIDANATWBK-VCHYOVAHSA-N 410.839 2.019 50 40 HEGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(C)=O 13847749 PLVMNHVXUKUKKW-KEBDBYFISA-N 401.375 2.366 50 40 HEGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)c1 20211132 RDNWROJTDQCKSS-LDADJPATSA-N 411.505 2.072 50 40 HEGB O=C1[C@H]2[C@H](C(=O)N1c1ccccn1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 104244096 OYOUDKVZJGPDSU-LIBSUMNQSA-N 400.070 2.364 50 40 HEGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCOCC2)o1 408997471 GQSMIKOSLAZROX-YBFXNURJSA-N 404.448 2.408 50 40 HEGB N#CCC(=O)N/N=C/c1cc(Br)cc(I)c1O 861845 XHPBTKUBUYQSJU-LHHJGKSTSA-N 407.993 2.123 50 40 HEGB COc1cc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc(OC)c1OC 1633536 CWANEKNGPVYVPP-HZPDHXFCSA-N 406.822 2.254 50 40 HEGB Cc1sc2ncn3c(SCC(=O)NNC(=O)c4ccco4)nnc3c2c1C 12640665 CTRPTKRLOPHBKQ-UHFFFAOYSA-N 402.461 2.102 50 40 HEGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1nccs1 100968796 AHPXHHAPHJBUJZ-MPZDYKMXSA-N 406.099 2.425 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1 408786618 SWGIKRMDCTUXEI-UFFVCSGVSA-N 415.393 2.327 50 40 HEGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Br)c2)c1 409258414 TZZDTZYMSRUZJP-UKWGHVSLSA-N 406.236 2.086 50 40 HEGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)COc3ccc(Cl)cc3)C2=O)c(C)c1 857249 BTRWQORMWPEZGM-MRXNPFEDSA-N 401.850 2.289 50 40 HEGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)ccc1Br 6500901 FXHHGTPKXWWNCD-OLZOCXBDSA-N 413.268 2.175 50 40 HEGB CCN1/C(=C(\C#N)c2nc(C#N)c(C#N)nc2N2CCN(C)CC2)Nc2ccccc21 12635612 UIKDZDJOHUFYJM-RCCKNPSSSA-N 411.473 2.116 50 40 HEGB CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1Br 14770935 YDQLWUAPGVQSHX-UHFFFAOYSA-N 423.292 2.192 50 40 HEGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 19954958 BYNKRRJIHUCBOB-RCCKNPSSSA-N 419.503 2.400 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)c1 3082025 AROPALHPXVEZKK-DBRLUCFCSA-N 419.503 2.157 50 40 HEGB Cc1cc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)ccc1Br 6500905 FXHHGTPKXWWNCD-STQMWFEESA-N 413.268 2.175 50 40 HEGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1Br 408803057 KUNSXYURKDZCLM-MDWZMJQESA-N 411.252 2.061 50 40 HEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3O)CC2)cc1OC 409005295 HGGKKSCZYPOXNE-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)c(OC)c1 409056303 CKIRLEWEMPNSLU-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 5632871 CSUQPAIAJIAFLJ-WYMPLXKRSA-N 414.437 2.066 50 40 HEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(C(=O)OC)c2)cc1 12772972 MCDBGNILFOBDGL-CYBMUJFWSA-N 401.419 2.492 50 40 HEGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCc1ccc(C(=O)O)o1 8207134 FNGMHQKGKJXYJU-GDNBJRDFSA-N 412.398 2.331 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)c1 20210246 WEGCSOLWXAOQLI-KGENOOAVSA-N 417.487 2.176 50 40 HEGB Cc1c(C(=O)NNC(=O)NCc2ccc(N3CCOCC3)nc2)oc2ccccc12 27338415 YZHITJAJOWTNFJ-UHFFFAOYSA-N 409.446 2.117 50 40 HEGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409015786 BFEGMHGCFMVSHN-JXAWBTAJSA-N 421.453 2.478 50 40 HEGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@@H]3C[C@@H]3C)cc2)cc1 15797822 JUOSHOPXVVFOEZ-HNAYVOBHSA-N 415.515 2.233 50 40 HEGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 58883130 YHQFYRTWSFCKGT-PMIGXTIBSA-N 411.458 2.133 50 40 HEGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 8352074 ODIRXYBVSHAVHG-GOSISDBHSA-N 415.515 2.165 50 40 HEGB CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC 59225016 GNDDALWLNJDYCY-ZKTNYTPDSA-N 415.490 2.145 50 40 HEGB COc1ccccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(C)(=O)=O 408906600 IDLLSQDLPQRSRU-KEBDBYFISA-N 413.858 2.404 50 40 HEGB O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 14197256 KBCFGLPKVXGOET-UHFFFAOYSA-N 403.243 2.388 50 40 HEGB COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1OC 5663516 RWIZYFRKHLJFKW-ROUUACIJSA-N 417.849 2.498 50 40 HEGB Cc1cc(=O)c(C(=O)NNC(=O)c2ccco2)nn1-c1ccccc1C(F)(F)F 28581878 QLWIBNCLUYJVEL-UHFFFAOYSA-N 406.320 2.228 50 40 HEGB COCCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2sc3c(c2c1=O)CCCC3 104280774 AAVRRZCOLBEJPO-QBFSEMIESA-N 418.544 2.401 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 408529822 DFYPXNMBMCYEKG-LOLZCCBGSA-N 418.331 2.320 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)c(C)c1 408782690 YJPFOUJSQIOUKC-YBFXNURJSA-N 404.448 2.128 50 40 HEGB Cc1ccc(NC(=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)/C2=N/NC(N)=O)cc1C 8655882 ZWWXPVJTVNPBJW-KMSDRLMESA-N 421.457 2.073 50 40 HEGB CCCOc1ccc(C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)cc1OC 10887179 OXJKJOPMXNMWDD-UHFFFAOYSA-N 409.446 2.199 50 40 HEGB C/C(N)=C(\C#N)C(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 104387833 PNRRGYNMZRNZNB-OWBHPGMISA-N 420.516 2.420 50 40 HEGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])c(C)c(C#N)c1=O 409070826 ZLOKHDALCNTKHN-FMCGGJTJSA-N 416.397 2.393 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2ccccn2c1=O 4205542 NCGYIHVTVTUFNQ-DTQAZKPQSA-N 404.426 2.465 50 40 HEGB COc1cc(C(=O)NNC(=O)CN2CCC[C@H]2c2cccs2)cc(OC)c1OC 14245311 GMEBJRQLOWNRPG-AWEZNQCLSA-N 419.503 2.372 50 40 HEGB O=C(NNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)OCCO2 53625876 SAIZVDONZGABNT-UHFFFAOYSA-N 404.806 2.347 50 40 HEGB C[C@@]1(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1(Br)Br 2344529 RCCLAFYUGFHAPL-NSHDSACASA-N 421.045 2.252 50 40 HEGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3Cl)C2=O)cc1C 2409395 QWEBULYJWWGHQG-XNTDXEJSSA-N 412.833 2.358 50 40 HEGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc(Cl)cc2)=N/NC(=S)NN)s1 5811366 ICMMDLUKXDNWCM-QVVZBNMPSA-N 423.955 2.323 50 40 HEGB Cc1c(NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 8701919 QWABXJWJVDZPIJ-UHFFFAOYSA-N 412.362 2.058 50 40 HEGB O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 15631690 DYWJNAFSEJHSRO-MRXNPFEDSA-N 408.411 2.030 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1cc(Cl)ccc1Cl 409027914 INYRVWOJNYNNRW-DJKKODMXSA-N 401.275 2.305 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccccc1F 408740368 FVQOSRGXUKBISP-UWPAOYMWSA-N 418.837 2.259 50 40 HEGB Cc1cccc(NC(=O)/C(C#N)=C\[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408745269 KZKPOWPWRIKTDS-IFCKCIONSA-N 404.451 2.448 50 40 HEGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 6254568 MQTWZAZTWGTYOA-STQMWFEESA-N 409.870 2.406 50 40 HEGB O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccco1 9883835 KIQNOWGZGQKVPS-UHFFFAOYSA-N 411.867 2.182 50 40 HEGB COc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 101316409 JDAOPCNDJDARHA-SZPGFPBMSA-N 409.316 2.189 50 40 HEGB C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118923739 BATUORYJCLTZTR-HZYSRDACSA-N 422.610 2.354 50 40 HEGB Cc1ccc(NC(=O)/C(C#N)=C\[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408855988 IHGYZIAGVQQAFE-IFCKCIONSA-N 404.451 2.448 50 40 HEGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C#N)[C@@H]1c1ccccc1F 705613 ZARWXJLBYZTFOO-PMEBHBLGSA-N 418.428 2.139 50 40 HEGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=N/NC(=O)c2ccccc2)C[C@@H](C)O1 5369829 DOFREUBQPCYDOP-UADCKCEISA-N 405.458 2.072 50 40 HEGB O=C(OC[C@]1(O)[C@@H](O)[C@@H](OC(=O)c2ccccc2)C=C[C@H]1Cl)c1ccccc1 13386230 OZXFMXVSIMKHPG-TWFHAPMSSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)cc2)cc1 16321266 QUDQUJLUDHHGRT-RGVLZGJSSA-N 422.894 2.069 50 40 HEGB CCOc1cc(Br)c(/C=N\NC(=O)CN2CCOCC2)cc1OCC 59247079 YAGIBIZJNHOSEW-ODLFYWEKSA-N 414.300 2.029 50 40 HEGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1 408780100 SCODRZMHTUZWJH-CIAFOILYSA-N 417.487 2.425 50 40 HEGB CCOc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1O 408906617 IOABDBDQCXUNKN-GNUZOCDUSA-N 405.476 2.096 50 40 HEGB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1 4817647 MUDPVQXQYDFFAQ-KBXCAEBGSA-N 416.503 2.013 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 6428455 VHSHMHQXKBLAGU-ZVHZXABRSA-N 410.474 2.379 50 40 HEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1ccc(C(=O)OC)cc1 15082513 NSHWSSVDSSCLHM-LLVKDONJSA-N 409.427 2.031 50 40 HEGB CN1CCC(=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 16189022 VNWWJZVISLDZQZ-UHFFFAOYSA-N 414.531 2.075 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1ccc(Cl)cc1 20209726 OSBMFZWTINBWMO-RGVLZGJSSA-N 423.878 2.028 50 40 HEGB O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5O)[C@@H]43)[C@H]12 245241655 MEEZXDNYDCPARC-LINFNCPDSA-N 401.465 2.330 50 40 HEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408910811 LHMPQUIFPFYEOF-SLDJAQPHSA-N 400.391 2.108 50 40 HEGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(N)=O 409218443 IVPAATFBNSKLGD-MHWRWJLKSA-N 423.425 2.282 50 40 HEGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccc(O)cc1O 19850016 JAGXXJVGGRWQEL-UUYOSTAYSA-N 402.882 2.019 50 40 HEGB Cc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408686541 RTWYVHSEZVUUBC-WRJRQJQLSA-N 408.248 2.048 50 40 HEGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCNC(=O)c1ccc(Cl)cc1 6405110 NKEDSJGKUYENKP-LBPRGKRZSA-N 407.829 2.214 50 40 HEGB COc1cc(C(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 16184714 UWKKRZMYOHCRCS-UHFFFAOYSA-N 406.420 2.252 50 40 HEGB CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 32755077 FRSWAPCOOQUNOG-HNNXBMFYSA-N 400.504 2.128 50 40 HEGB COC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)N(CCO)C(=O)C(C#N)=C2C)o1 33286687 IAYIZSFWAABSCD-GZTJUZNOSA-N 406.394 2.318 50 40 HEGB CCCn1c(O)c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc21 6511033 ZDXBOEHFBGMOJY-UHFFFAOYSA-N 410.386 2.100 50 40 HEGB O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1ccccc1 7939981 FSTDZBVHRUHZHS-UHFFFAOYSA-N 417.849 2.453 50 40 HEGB COc1ccc(OCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c(Br)c1 14920213 ODEQSBRAUYDNPT-HEHNFIMWSA-N 418.247 2.333 50 40 HEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccc(OC)c1OC 15082908 YTNDAOHKPGMOHQ-LLVKDONJSA-N 411.443 2.262 50 40 HEGB COc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)nc2C)ccc1OC(C)C 15765097 NJAKJRQPDWQMOD-UHFFFAOYSA-N 409.446 2.446 50 40 HEGB Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1 408646984 RSQOXKVUCQHLTK-UHFFFAOYSA-N 411.458 2.417 50 40 HEGB O=C(CCC(=O)OCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccc(Cl)cc1 408661147 DOAQTEQJYKJVTI-UHFFFAOYSA-N 421.812 2.202 50 40 HEGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O 408776728 QTZZEIYMXQBCQV-AWQFTUOYSA-N 423.878 2.293 50 40 HEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 408971044 GHMZBISKVUFHJE-FSJBWODESA-N 420.897 2.359 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2cccs2)ccc1OCC(=O)N1CCOCC1 409017040 UYQMXOMVDJUCDK-BKUYFWCQSA-N 417.487 2.148 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)/C=C\c2ccccc2OC)c(OC)c1 4844255 HZPUJBCYAXDKGE-LHDRLHPMSA-N 411.458 2.382 50 40 HEGB CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21 2357635 CPICVJGACVCASP-HSZRJFAPSA-N 411.421 2.446 50 40 HEGB CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 12973740 KIFIKBJDOKGCNI-CYBMUJFWSA-N 424.548 2.117 50 40 HEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc([N+](=O)[O-])c1O 95613678 SXVRJUXKZAEGNZ-MRXNPFEDSA-N 420.381 2.379 50 40 HEGB Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)n1 32795907 XPEMYEXBFOZVEG-GFCCVEGCSA-N 404.268 2.352 50 40 HEGB C[C@@H](SCc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 40144461 OVXYLLGKTIQLSQ-CYBMUJFWSA-N 406.533 2.063 50 40 HEGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(F)c(Cl)c1 102675950 ATYALWXLPIJGHT-ACLQVGRQSA-N 423.853 2.171 50 40 HEGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(I)c(O)c1 1058661 QCNICEOFGNWXBF-REZTVBANSA-N 410.167 2.489 50 40 HEGB Cc1ccc(-n2ncc3c(SCC(=O)NNC(=O)c4ccco4)ncnc32)cc1 1346391 TZBHHSXBNOPBFP-UHFFFAOYSA-N 408.443 2.270 50 40 HEGB COc1ccc(CNC(=S)NNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)cc1 7652676 XHCPFGLYNAQNES-GFCCVEGCSA-N 420.922 2.162 50 40 HEGB C/C(=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(\C)c1cccnc1)c1cccnc1 8622486 MELPHSILISUKLF-AVJRFCSFSA-N 412.519 2.367 50 40 HEGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3Cl)C2=O)c(C)c1 408537170 ZJGGPQXEOOJCKM-GXDHUFHOSA-N 412.833 2.358 50 40 HEGB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@@H](CI)C2 2056225352 MJNVMTDJGOBEOA-GFCCVEGCSA-N 422.288 2.076 50 40 HEGB COc1ccc(Br)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 3577136 DSGQHLMZMQKIDE-VXLYETTFSA-N 415.251 2.262 50 40 HEGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3C[C@@H]3C)cc2)cc1 12604926 YJZTYQABPLNWMV-SCLBCKFNSA-N 417.487 2.303 50 40 HEGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(F)cc2)c2ccccc21 2337921 HNCFQNDFKBEMSZ-HNENSFHCSA-N 406.417 2.403 50 40 HEGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1 8085946 VKWDPQCUZFPYRK-BUVRLJJBSA-N 422.485 2.339 50 40 HEGB COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)ccc1O 408784509 UEQNPVVVVJBAGC-CIAFOILYSA-N 419.503 2.441 50 40 HEGB COc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408787046 PZAKBCZXZDZEGB-ZVHZXABRSA-N 420.425 2.307 50 40 HEGB COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)C(C)C)cc(OC)c1OC 409001769 KERRSBRTXOLGBW-UHFFFAOYSA-N 415.446 2.382 50 40 HEGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)c(C)c1 4553354 VQAWFFIGIUWYFY-WYMPLXKRSA-N 422.485 2.358 50 40 HEGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccccc1C#N 34795819 YKOXQBSQYOJPAX-MYYYXRDXSA-N 422.485 2.318 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2c(C)cccn2c1=O 2200455 WRTNWYHPDIXDLK-SAPNQHFASA-N 409.490 2.053 50 40 HEGB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NNC(=O)c2ccc(C)cc2)cc1 3322292 NTHAEGXOXFTMID-XNTDXEJSSA-N 415.515 2.500 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)cc1 8086048 ADEQGUYXELVNJA-ZVHZXABRSA-N 408.458 2.019 50 40 HEGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20493199 YCRVSHARXINZFX-RGVLZGJSSA-N 423.878 2.182 50 40 HEGB CCCOc1ccc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 27194220 DNVCZFNWWJNYSA-YCPFAOKUSA-N 414.483 2.255 50 40 HEGB O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1csc(N2CCOCC2)n1 102832689 GYINBCHGHUFNSO-NYYJTOMGSA-N 424.954 2.319 50 40 HEGB Cc1c(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1[N+](=O)[O-] 408858779 PMPMYXHJDBXDBR-UDWIEESQSA-N 413.390 2.412 50 40 HEGB CCn1c(C)nc2cc(C(=O)NNC(=O)CNC(=O)c3ccccc3Cl)ccc21 12526780 JPYWYVWXPCISFZ-UHFFFAOYSA-N 413.865 2.209 50 40 HEGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 19952623 QSLABXXGKQIRRJ-LPYMAVHISA-N 410.455 2.133 50 40 HEGB COc1ccccc1/C=N\NC(=O)c1nn(-c2ccccc2C)c(=O)c(C#N)c1C 409057166 UOWXYAGYOLWNFT-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 876290 GIDMBTPCNQBUCW-UHFFFAOYSA-N 411.487 2.352 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1O 6607024 YKEWXIYLWIRJOJ-SRZZPIQSSA-N 419.503 2.097 50 40 HEGB Cc1cccc(N2C(=O)NC(=O)/C(=C/NNC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 4867227 IYTNMBLEGPTVGD-PDGQHHTCSA-N 422.485 2.299 50 40 HEGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1 20130079 AMEPQTLQMDDTMO-SFHVURJKSA-N 415.471 2.044 50 40 HEGB C[C@@H](SCc1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 40143167 ARCLXUMTABIDAK-CQSZACIVSA-N 421.544 2.020 50 40 HEGB CCCCCn1nc(C(=O)NNC(=O)Nc2ccc(OC)nc2)c2ccccc2c1=O 69946283 UTNUNHDKUNRPFM-UHFFFAOYSA-N 424.461 2.457 50 40 HEGB CC1(C)CC(=O)C/C(=N\NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 102417878 PWODBHCLBAVADC-XMHGGMMESA-N 411.549 2.400 50 40 HEGB COc1ccccc1OCC(=O)N/N=C\c1ccc(O[C@H](C)C(=O)O)c(OC)c1 409020636 RJXYWVVOPKJILK-PJICWNCHSA-N 402.403 2.085 50 40 HEGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccc(OCC(N)=O)c1 8748678 BNDUZCABIBJXFN-KRWDZBQOSA-N 405.435 2.344 50 40 HEGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)CN1CCCc2ccccc21 5689787 LMASOINDKRQXJB-GOSISDBHSA-N 410.499 2.090 50 40 HEGB N#Cc1ccc(OCc2cccc(C(=O)NNC(=S)NC[C@H]3CCCO3)c2)cc1 6925917 YFQYYYOBZWRGQI-LJQANCHMSA-N 410.499 2.425 50 40 HEGB CCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2cc(Br)ccc21 13563639 QHKDNRNMFPQRGV-WLVMFVESSA-N 402.248 2.370 50 40 HEGB COc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 101316404 JDAOPCNDJDARHA-HEORQDOSSA-N 409.316 2.189 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 6430385 CWPXPGVBYUGUDL-FSJBWODESA-N 416.865 2.334 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1OC 16692791 WYDKAIDYZZIPFL-CIAFOILYSA-N 423.466 2.004 50 40 HEGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O 19955507 UUAPSRCGZWMQKE-FYJGNVAPSA-N 402.520 2.286 50 40 HEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 25602876 GBRSTDGKFADBFG-YJYMSZOUSA-N 416.528 2.334 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)ccc1O 408907205 MOWHOOSEQWSPPN-CIAFOILYSA-N 419.503 2.324 50 40 HEGB N#CC1=C(N)n2c(s/c(=C\c3ccc(F)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(F)cc1 704336 OLSDVFIWUQYFJI-PMEBHBLGSA-N 418.428 2.139 50 40 HEGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1nccs1 4592886 AHPXHHAPHJBUJZ-YXZCBUPGSA-N 406.099 2.425 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 6430362 ZIJUOAWGDYSFMR-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)c1cc2ccccc2o1 22786466 NEXDHBITSLPZDK-UHFFFAOYSA-N 406.486 2.402 50 40 HEGB CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1 109040085 NLRBGYSVJWUEDQ-HMAPJEAMSA-N 424.461 2.069 50 40 HEGB O=C(NNC(=S)Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 727905 YVDHTXGUUVPHSQ-HNNXBMFYSA-N 418.544 2.105 50 40 HEGB CCC(CC)C(=O)N(NC(=O)c1ccncc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O 2212833 WFJVHWRSCBBMJK-GOSISDBHSA-N 408.458 2.323 50 40 HEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 4453542 UTNOVQNYIKGJND-XLIONFOSSA-N 419.485 2.458 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 8369954 YFXKCAHHZYJHTF-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB Cc1cc(SCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)nc2ccccc12 9884126 KZMIWNABWLRWRS-UHFFFAOYSA-N 419.466 2.333 50 40 HEGB C[C@H]1Sc2ccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2NC1=O 9885204 LIBUVLSMFALBQK-LLVKDONJSA-N 409.471 2.010 50 40 HEGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 12801699 QJWGGYUMWZJKND-UHFFFAOYSA-N 403.243 2.388 50 40 HEGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(C)c2ccccc23)cc1 57510530 XHFAAELFFPRFJW-QGZVFWFLSA-N 423.450 2.429 50 40 HEGB COc1cc([C@@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)ccc1O 691497 HNTQMOXWVIMVDH-HXUWFJFHSA-N 424.501 2.384 50 40 HEGB COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N\Nc1nnc(C)n1N 4822359 YDKAGQOOKWYCBR-JMIUGGIZSA-N 416.313 2.048 50 40 HEGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1OCC(=O)O 408598907 KWMLSEFGDZIJII-UFWORHAWSA-N 407.766 2.484 50 40 HEGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408781085 RINFXDKBKRTEKU-CIAFOILYSA-N 417.487 2.145 50 40 HEGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 12765629 ZJVSLFNEUITDHB-UHFFFAOYSA-N 420.365 2.226 50 40 HEGB Cc1ccccc1OCCC(=O)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 22040484 VQAGMTCLCZEKCQ-UHFFFAOYSA-N 424.545 2.119 50 40 HEGB CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OC 59427772 HOPVQKSQKMLTRX-FOKLQQMPSA-N 412.446 2.345 50 40 HEGB COc1ccc(Cl)cc1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 101307611 DCAFKAZFXFQRQD-SZPGFPBMSA-N 409.316 2.189 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 408908187 UVDAJSKYCFQJTA-CIAFOILYSA-N 419.503 2.237 50 40 HEGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)c1 409000820 NDLZBOSAVXZRCK-SRZZPIQSSA-N 405.838 2.169 50 40 HEGB CSc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409029158 YFKGIQRXSROMJH-WOJGMQOQSA-N 422.488 2.233 50 40 HEGB O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 2661354 GUIJGNURUHJPPU-UHFFFAOYSA-N 406.419 2.139 50 40 HEGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3ccc4ccccc4n3)ccc12 5273079 SCFXNSKRBQJBRN-UHFFFAOYSA-N 403.394 2.490 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC 6544412 XQORMDWCQOSUHH-KGENOOAVSA-N 417.487 2.031 50 40 HEGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 409251244 PBTQPGHWEZHYND-ZVHZXABRSA-N 422.485 2.393 50 40 HEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Br)cc12 1825698 YXZJMODEWUDVLB-SFHVURJKSA-N 416.231 2.366 50 40 HEGB CCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1ccccc1-n1cccc1 5094584 NCWDOSHGGJWSCZ-UHFFFAOYSA-N 406.442 2.067 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 6430306 DWTLBYQISDVIQS-FSJBWODESA-N 416.865 2.334 50 40 HEGB CCOc1ccccc1/C=N/NC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C 6539546 KKQMBJUKHQJJRA-CIAFOILYSA-N 403.504 2.439 50 40 HEGB CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1)S(C)(=O)=O 409110327 BQWDZCYFIYNROI-VCHYOVAHSA-N 410.839 2.408 50 40 HEGB Cc1cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1Br 12927878 OULXUVCGFUZJNU-UHFFFAOYSA-N 413.249 2.110 50 40 HEGB CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 33774763 AZKTZDUPDMUONK-BKUYFWCQSA-N 411.418 2.154 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccc(Cl)c1 408741064 NRNIFRIAOBUMQN-ANKPHQHTSA-N 400.847 2.120 50 40 HEGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1O 409362192 IDSDORHGGUFNBI-JAIQZWGSSA-N 401.375 2.163 50 40 HEGB COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408676644 BBXHZLFCEBGTHZ-ADBFQUQXSA-N 423.259 2.381 50 40 HEGB O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1 409381153 DGEFSWOBLDQGBD-PBWTXFEYSA-N 419.437 2.223 50 40 HEGB Cc1onc(C(=O)NN)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20366399 WXUORVJUXOZZSW-UHFFFAOYSA-N 419.485 2.134 50 40 HEGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3Br)C2=O)cc1 100116004 HWIQMLRVQVPMDN-HNNXBMFYSA-N 402.248 2.324 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1CC 6879508 NLCMJUVZIFPNFP-ZVHZXABRSA-N 410.474 2.243 50 40 HEGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CN2CCOCC2)c2ccccc21 19851531 YVFWFPTWNDPIFQ-AFUMVMLFSA-N 401.470 2.344 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 20209672 UGVIWCKFKXGELB-CIAFOILYSA-N 420.878 2.159 50 40 HEGB O=C(CSc1nncn1-c1cccc(Cl)c1)NNC(=O)Cc1ccccc1 40052566 DXSRXMBUKANECZ-UHFFFAOYSA-N 401.879 2.403 50 40 HEGB CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1 84807934 CKANDDAJIIAUNN-UHFFFAOYSA-N 405.480 2.240 50 40 HEGB COc1ccc(OCC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1 409021036 XCYBWLSDDPASIO-GMDDEGIZSA-N 402.403 2.085 50 40 HEGB CC(C)C(=O)NNC(=O)CSc1ncnc2c1cnn2-c1ccccc1Cl 4230920 BMQNEEORMOGLFT-UHFFFAOYSA-N 404.883 2.364 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1ccccc1 19953959 DGZHYNFXGNYDHW-WOJGMQOQSA-N 410.293 2.365 50 40 HEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 101307923 NVCGXNYMMZEDNB-SGVFRHMUSA-N 423.741 2.289 50 40 HEGB COCCNc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 15705790 WFYMKAURMZKBNW-UHFFFAOYSA-N 416.434 2.110 50 40 HEGB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 28287065 FEPNPVGHDYZETL-UHFFFAOYSA-N 417.274 2.042 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(OC)cc2)nc2ccccn2c1=O 3643936 YFVLYDMFWWWQAG-FYWRMAATSA-N 420.425 2.165 50 40 HEGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(O)cc3)CC2)cc1 5929458 CPDPFNVZHSZEFB-KGENOOAVSA-N 401.488 2.252 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 408740500 GMEATHRJBNKTRJ-SLSPDHCBSA-N 418.837 2.259 50 40 HEGB Cc1cccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 409185002 PBNJOQOXSWAKHP-UHFFFAOYSA-N 414.531 2.388 50 40 HEGB COc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 3523538 LJEZNVKJNUHXKV-UHFFFAOYSA-N 407.220 2.076 50 40 HEGB CN(C)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 11030816 YRRKRSNXHMAVAC-UHFFFAOYSA-N 420.263 2.133 50 40 HEGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 16728469 YWTFKQRHKUUGII-UHFFFAOYSA-N 415.496 2.446 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1cccc(Br)c1 20209749 XFLANAUESMUZMS-CXUHLZMHSA-N 416.322 2.427 50 40 HEGB Cc1cccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 100572009 RADGCEDQONHTFI-OAHLLOKOSA-N 402.248 2.324 50 40 HEGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 16479072 VMFDWXWAGRPKBC-JJIBRWJFSA-N 422.510 2.465 50 40 HEGB Cc1ccc(NC(=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)/C2=N/NC(N)=O)cc1C 104278338 ZWWXPVJTVNPBJW-YUWQHYHXSA-N 421.457 2.073 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c(C)c1 408767885 QGWGMHCUINIDPY-YBFXNURJSA-N 404.448 2.128 50 40 HEGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409014126 OZJJTUKWIQSOKS-JXAWBTAJSA-N 421.453 2.478 50 40 HEGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)cc1C 409257733 RZTPZYOPGMINAA-FSJBWODESA-N 408.458 2.050 50 40 HEGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccc(Br)cc2)cc1 4079695 MPOYQVSFZXGIOD-SRZZPIQSSA-N 404.264 2.267 50 40 HEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2ccccc2)CC1 6496059 HPPDWCINVIXRHM-XSFVSMFZSA-N 416.459 2.146 50 40 HEGB Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)CCNc3ncccn3)cc12 40143228 JDDPDNZVVWDPIK-UHFFFAOYSA-N 421.486 2.449 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 408784342 BCAPADWMYPVHKJ-YBFXNURJSA-N 404.448 2.128 50 40 HEGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)N1CCOCC1 409010377 CKASBHLEJMPXOH-AQTBWJFISA-N 421.453 2.478 50 40 HEGB COc1cc(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 2638754 UBSJNCNJQSWATG-UHFFFAOYSA-N 409.782 2.349 50 40 HEGB O=C(C[n+]1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 1750310 CNJVDFJNNWYBDK-UHFFFAOYSA-O 414.077 2.355 50 40 HEGB COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 2135549 ACNWFEJEHMZZTJ-UHFFFAOYSA-N 423.878 2.315 50 40 HEGB aggregator O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NNC(=O)c1ccc(F)cc1 9703914 HSCRLERPVAMVDE-UHFFFAOYSA-N 410.188 2.190 50 40 HEGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(N)=O)c(Br)c1 9763219 GIXPQGOHFQMVSK-ZVBGSRNCSA-N 420.263 2.151 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc1 25783229 VWTCGIXUXNILAI-WSDLNYQXSA-N 418.417 2.062 50 40 HEGB COc1cc(OC)cc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)[nH]2)c1 7604840 BPSNNHACEYHKKQ-UHFFFAOYSA-N 413.459 2.042 50 40 HEGB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)OC(C)(C)C 14235797 HDSYTHKXKAYPPJ-ZDUSSCGKSA-N 405.904 2.199 50 40 HEGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(OC)c2)S(C)(=O)=O)cc1 408923011 DMMCRWGTNIVRBO-HFITWMCCSA-N 419.503 2.399 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 409256734 PIAUNRJXSMMDKU-OHHQFBAHSA-N 410.474 2.377 50 40 HEGB CCN(CC)C[C@@H](C(=O)Nc1c(C)cccc1C)/C(C)=N/NC(=O)C[N+](C)(C)C 5807643 RPMYPUJLESTHHA-CBTVAOKPSA-O 404.579 2.398 50 40 HEGB O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1cccs1 12572101 COZKLDDBRAJGNQ-UHFFFAOYSA-N 414.306 2.225 50 40 HEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 59459764 QLLDITIACWLABT-GIJQJNRQSA-N 421.207 2.455 50 40 HEGB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccc1 3146457 IVQPNVGWWKFXSA-AWEZNQCLSA-N 420.425 2.111 50 40 HEGB COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1O 4108650 AQNTVPRTIXPSDN-IFRROFPPSA-N 422.235 2.454 50 40 HEGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C(C)C)cc1 5480791 LBFNHJFJFWWSBD-UHFFFAOYSA-N 403.504 2.441 50 40 HEGB CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1 12535933 GMANHIHSJIANPY-UHFFFAOYSA-N 412.471 2.461 50 40 HEGB CCn1c(S)nc2cc(C(=O)NNC(=O)c3cccc(Cl)c3)ccc2c1=O 17249026 WGMNWCGKRHMNIC-UHFFFAOYSA-N 402.863 2.433 50 40 HEGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1O[C@H](C)C(=O)O 409011687 HEFFRXXESXUMRY-PCQWDSEFSA-N 418.475 2.196 50 40 HEGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccc(OCC(N)=O)c1 8748675 BNDUZCABIBJXFN-QGZVFWFLSA-N 405.435 2.344 50 40 HEGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1F 15353871 TVAJJWPPUUNFBV-KGENOOAVSA-N 405.451 2.001 50 40 HEGB Cc1ccc(OCC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1C 12907844 UPFWUVYHCDORLV-UHFFFAOYSA-N 408.458 2.434 50 40 HEGB CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 95868372 NRFVADAUOSMEBM-FHWLQOOXSA-N 423.985 2.426 50 40 HEGB O=C=Nc1ccc(OC(=O)CCC(=O)OCC(=O)Oc2ccc(N=C=O)cc2)cc1 221266400 GEIHUOWAXKPXBH-UHFFFAOYSA-N 410.338 2.456 50 40 HEGB CCc1ccc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)cc1 14245369 BQTABVOUTNDATC-GOSISDBHSA-N 403.504 2.013 50 40 HEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1 17241691 ZDPXIFSMGLTHOR-UHFFFAOYSA-N 414.849 2.044 50 40 HEGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)c(O)c3)s2)c1 59498625 MWYGZHYIAAXSGR-KEBDBYFISA-N 411.443 2.203 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 409027513 DWYSNHJBXVTWPG-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB N#C/C(=C\c1cn(CC(N)=O)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409198828 FTNSULBIKVWQCI-OVCLIPMQSA-N 402.410 2.079 50 40 HEGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)c(O)cc1O 1091576 SYQMFDKSFGZGOX-KPSZGOFPSA-N 408.208 2.151 50 40 HEGB O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccc([N+](=O)[O-])cc1 2134773 KXSUJIKGZFURPZ-UHFFFAOYSA-N 420.809 2.193 50 40 HEGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)CCc2ccccc2)cc1Cl 4681730 IKBMVBUTSWHUGI-UHFFFAOYSA-N 403.866 2.384 50 40 HEGB Cc1occc1C(=O)NNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 40072506 DDVRQWFXEOWLDF-UHFFFAOYSA-N 409.402 2.385 50 40 HEGB Cc1ccc(NC(=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)/C2=N\NC(N)=O)cc1C 102916212 ZWWXPVJTVNPBJW-AJHWWFRHSA-N 421.457 2.073 50 40 HEGB CCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408690816 WVMSYEYUHUXWFB-JNWWKETESA-N 408.248 2.373 50 40 HEGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 408768608 HTVWBRZPZANMBG-YBFXNURJSA-N 404.448 2.128 50 40 HEGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(C)(=O)=O 408921933 LUBRLSOHEBPHIO-FYJGNVAPSA-N 419.503 2.399 50 40 HEGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccc(Cl)c(Cl)c2)cc1 1093496 DZWZAZKHTVVHON-UHFFFAOYSA-N 402.303 2.483 50 40 HEGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2247428 PIWJHLLCZACTNG-KUHUBIRLSA-N 407.426 2.283 50 40 HEGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)c(C)c1 8369227 WAVIWOXYSCPXTO-FSJBWODESA-N 410.474 2.296 50 40 HEGB CCOC(=O)/C=C/C(=O)NNC(=O)COc1ccc2ccccc2c1Br 12039619 ORHYCBURZFJGDP-MDZDMXLPSA-N 421.247 2.248 50 40 HEGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5786116 JMNDNWZINSERCQ-UHFFFAOYSA-N 406.504 2.389 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1 6327615 WPNHBWOLUHGKKO-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 7869664 PDHHNBDONHOYTB-BUVRLJJBSA-N 411.458 2.078 50 40 HEGB N#CC1=C2SCN(CCN3CCOCC3)CN2C(=O)C[C@@H]1c1ccc(F)cc1 20348055 FLSRVXVNHBNFNP-QGZVFWFLSA-N 402.495 2.173 50 40 HEGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=S)Nc1ccccc1F 28617577 SXAHXZUKFFCXJT-UHFFFAOYSA-N 400.435 2.220 50 40 HEGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2cccc(C)c2)c(OC)c1 4697867 OVXRYSNEKYAIBW-ZVHZXABRSA-N 412.446 2.472 50 40 HEGB C[C@@H](CC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccc(F)cc1 95464987 AMXKHHPUEFXWDE-LBPRGKRZSA-N 407.305 2.146 50 40 HEGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765231 UQSNTGFWZJCBLO-MDWZMJQESA-N 417.399 2.153 50 40 HEGB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517032 GOTMQJWZSJNGQI-HSZRJFAPSA-N 401.422 2.457 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 6324025 VSVMBQRNUJXUQV-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(Cl)cc1 6528733 KFAPLJNHXZZOKJ-NLTBIBMSSA-N 402.769 2.094 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(C)(=O)=O 408790603 SQUQXCIHDUMKOV-FYJGNVAPSA-N 417.487 2.091 50 40 HEGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)c(C)c1 409253726 GNSCTJRJSRAXSK-FSJBWODESA-N 408.458 2.050 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1ccccc1Br 16248248 IATVNGRFKUQFPC-CXUHLZMHSA-N 416.322 2.427 50 40 HEGB COc1ccccc1/C=C/C=C1/C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 100958955 SFHDRPRWWBFOTO-HZBARCKHSA-N 412.467 2.031 50 40 HEGB O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 252485286 GQCRZQZOIHBYMW-QPSGOUHRSA-N 406.324 2.328 50 40 HEGB Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1C 408684458 NJSCYFCAAQNAHO-DJWYYIDESA-N 422.275 2.356 50 40 HEGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1 6355279 AMBOVPUMQHUGSE-MRXNPFEDSA-N 401.488 2.016 50 40 HEGB CCn1c(NNC(=O)C2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O 11161118 JUDWYNNZDHIKRR-UHFFFAOYSA-N 409.446 2.005 50 40 HEGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(OC)c(OC)c3OC)ccc21 12526769 BRUGVYOBFGWWRP-UHFFFAOYSA-N 412.446 2.465 50 40 HEGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)cc1OC 16099869 DHOVSODSXAJZPT-UHFFFAOYSA-N 415.265 2.090 50 40 HEGB CN(c1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1)S(C)(=O)=O 409327357 JGPKXRIQWNSUDL-UHFFFAOYSA-N 414.531 2.464 50 40 HEGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1Br 100242664 QTXQTWNYQYNRLS-AWEZNQCLSA-N 405.204 2.121 50 40 HEGB CCc1ccc(-n2nc(C(=O)N/N=C\c3cccc(O)c3)c(C)c(C#N)c2=O)cc1 409052046 GBQYREZNFDWFRS-CFRMEGHHSA-N 401.426 2.445 50 40 HEGB COc1ccc2nc(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 10059034 RNCKXCLEJUPFCW-UHFFFAOYSA-N 401.404 2.033 50 40 HEGB Cc1cccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2cccc(C)c2)C=3C#N)c1 12462704 XGFMUNVFIALRJE-IQKNENRKSA-N 410.502 2.478 50 40 HEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1ccc(C(=O)OC)cc1 15082511 NSHWSSVDSSCLHM-NSHDSACASA-N 409.427 2.031 50 40 HEGB NS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 17185918 GSZMMPHIPMYHOA-UHFFFAOYSA-N 419.547 2.021 50 40 HEGB NNC(=O)CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Br)ccc21 583649978 VMDXVSFLGIQYLP-UHFFFAOYSA-N 421.682 2.276 50 40 HEGB Cn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1cccc([N+](=O)[O-])c1 2368773 AFUPTGAVCMPOQJ-VXLYETTFSA-N 412.431 2.338 50 40 HEGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)cc1C 5795140 SHPPZJDQCJZWLF-FSJBWODESA-N 410.474 2.296 50 40 HEGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6948759 XLCWFBSSSNWZLG-HNNXBMFYSA-N 401.488 2.413 50 40 HEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc2c(c1)OCCO2 7003379 SCYROYMDDFSVAN-RGVLZGJSSA-N 401.375 2.076 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 409258332 UMHHOLNRJQPNAF-XMTZNVEYSA-N 414.437 2.208 50 40 HEGB COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)c1O 1955536 OANFPYUEFODNIC-RGVLZGJSSA-N 411.443 2.197 50 40 HEGB O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)C(=O)Nc1ccc(O)cc1 3211363 VWMXXISDCVPXHO-QQTULTPQSA-N 414.421 2.398 50 40 HEGB N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nn(CCO)c(N)c1C#N 4455861 WFDMPXMHYZWBAE-XNTDXEJSSA-N 407.434 2.292 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1 8333404 FKWOMWAXFVTCPD-DHRITJCHSA-N 422.485 2.382 50 40 HEGB N#CC1=C(N)C(C#N)=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 8742146 AEQQMVVNIAQADM-KHVWPYCOSA-N 418.428 2.030 50 40 HEGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(N3CCOCC3)o2)cc1 83301691 BAAHCKMJWZSCDR-QTCOBDOFSA-N 401.463 2.479 50 40 HEGB COc1cc(C(C)=O)ccc1OCC(=O)NNC(=O)COc1cc(C)ccc1C 12818022 PGCLXXLXCNEQBF-UHFFFAOYSA-N 400.431 2.120 50 40 HEGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(CC)CC)cc2)s1 408731545 NOPRHZGEFGOQAO-XDHOZWIPSA-N 404.496 2.646 50 40 HEGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccccc1Cl 408871531 HBURXXKHGLMIPS-BRUSPLQXSA-N 402.882 2.493 50 40 HEGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1O 5172046 SAPQBOUWINLOPF-UHFFFAOYSA-N 414.421 2.225 50 40 HEGB COCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 6441105 PWKPAJVXWNPNTE-LBPRGKRZSA-N 409.895 2.183 50 40 HEGB O=C(N/N=C/c1c(Sc2ncccn2)nc2ccccn2c1=O)c1ccccc1 19879723 HBAJCWWURVDQAS-YDZHTSKRSA-N 402.439 2.400 50 40 HEGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(Cl)c2)CC1 59434027 DZAWEIIGRFGRSB-HYARGMPZSA-N 400.866 2.148 50 40 HEGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc(Cl)cc2)=N\NC(=S)NN)s1 17213180 ICMMDLUKXDNWCM-XRKTUMLRSA-N 423.955 2.323 50 40 HEGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(I)c1 670417 ODLUTCMXTVAKSL-UHFFFAOYSA-N 411.155 2.274 50 40 HEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(F)cc1 1022623 HNMVEYJEUZUPEM-SSDVNMTOSA-N 406.381 2.193 50 40 HEGB Cc1cccc(-n2cnc(C(=O)NNS(=O)(=O)c3ccc4ccccc4c3)c2)n1 1402758 MGGRLTZQWBSYNP-UHFFFAOYSA-N 407.455 2.352 50 40 HEGB COc1cc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc(OC)c1OC 1633537 CWANEKNGPVYVPP-HOTGVXAUSA-N 406.822 2.254 50 40 HEGB COCCCNC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2c(C)cccn2c1=O 2205997 UKYBZCAXXITHDI-SAPNQHFASA-N 409.490 2.053 50 40 HEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)CC2=O)cc1 7947767 MBFDYNORQCMORX-MRXNPFEDSA-N 403.442 2.199 50 40 HEGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OC(C)=O 408758501 LDQULOCKFSAPRI-ONNFQVAWSA-N 400.172 2.007 50 40 HEGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408906576 HRSASSFGINHKOP-ITRAFESCSA-N 404.448 2.290 50 40 HEGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 409252675 DFPXRGAUIACSNN-ZVHZXABRSA-N 422.485 2.393 50 40 HEGB Cn1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)n1 1091817 COQCUHCQQUJENO-GIDUJCDVSA-N 402.046 2.415 50 40 HEGB C/C=C/C=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 15514243 RORKDPNTEAXHKX-HJSZHNSDSA-N 415.471 2.389 50 40 HEGB Cc1cc(=O)c(C(=O)NNC(=S)NC(C)C)nn1-c1ccccc1C(F)(F)F 21633964 ZKQJKTHCSXTYMO-UHFFFAOYSA-N 413.425 2.077 50 40 HEGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)C(C)C)cc1 408754152 DSQPNMUGVUMXML-BAOGCXAUSA-N 418.475 2.356 50 40 HEGB Cc1nnc(NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)[nH]c1=O 22239376 DBIPHZKHAWCBAF-UHFFFAOYSA-N 403.398 2.312 50 40 HEGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 989391 JWPKNPHCLNTDIT-HSZRJFAPSA-N 421.453 2.201 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 8369984 LRDYGNDPOCWESO-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 8369991 BGIWQYYEEXOIEK-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB COC(=O)Cc1n[nH]c2c1[C@@H](c1ccc(OC)c(Br)c1)C(C#N)=C(N)O2 15108120 UDQBHTOKHQMKHU-AWEZNQCLSA-N 419.235 2.114 50 40 HEGB CCOc1cccc(N2C(=O)C[C@H](NNC(=O)c3ccc(Br)o3)C2=O)c1 100129695 XETUZMHRUIRUPP-LBPRGKRZSA-N 422.235 2.007 50 40 HEGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 14241284 UACDNNPDPNRALG-UHFFFAOYSA-N 414.439 2.337 50 40 HEGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 16479063 YPHQLMAPHDYJOG-JJIBRWJFSA-N 422.510 2.465 50 40 HEGB CCC(CC)C(=O)NN(C(=O)c1ccncc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O 101096943 SROVZVWNHKJADY-GOSISDBHSA-N 408.458 2.323 50 40 HEGB O=C(NNC(=O)C(=O)Nc1ccccc1C(=O)O)Nc1ccc(Cl)c(Cl)c1 226823040 GDKUKOYZFZRWBP-UHFFFAOYSA-N 411.201 2.483 50 40 HEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408923230 URYMJUOTSLOKLO-WXUSHSQQSA-N 416.503 2.340 50 40 HEGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3O)c(C)c(C#N)c2=O)cc1 409054010 LKXPXRNSHKAWHT-CFRMEGHHSA-N 401.426 2.445 50 40 HEGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1O 36239664 SNATZUJQJGGVKS-RGVLZGJSSA-N 403.391 2.409 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 408775786 UXFYIBGFAGQPEE-XSFVSMFZSA-N 418.475 2.464 50 40 HEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 830558 SMIMFMRHIXRZBY-FYJGNVAPSA-N 416.401 2.189 50 40 HEGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)O 15945819 JPGUKPVFCLGUPD-ODCIPOBUSA-N 420.805 2.234 50 40 HEGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(C)(=O)=O 408767066 IKONVVABLUPSQX-XSFVSMFZSA-N 405.476 2.016 50 40 HEGB Cc1c(Cl)ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1C 1926737 PFJLRARGOCPQPU-UHFFFAOYSA-N 407.810 2.470 50 40 HEGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 5272595 UDUVPVUCKPMQQS-QGZVFWFLSA-N 407.455 2.341 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1 7882615 WJBQSOJNQWWOME-GFCCVEGCSA-N 402.794 2.062 50 40 HEGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC)cc2Cl)cc1 8086100 NLQYTIAZKZSLLU-FOKLQQMPSA-N 416.865 2.116 50 40 HEGB Cc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c(C)c1 8143403 QSCJWNMRKIUDIS-UHFFFAOYSA-N 415.924 2.100 50 40 HEGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc2c(c1)OCCO2 20207471 VTVHYAZTSXDSHU-RCCKNPSSSA-N 417.487 2.073 50 40 HEGB COc1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc1Br 30791491 SBEAMUXIXWFNTP-OOPCHKLYSA-N 416.275 2.438 50 40 HEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1633105 KLKYLTUVEVYSPX-CVEARBPZSA-N 402.794 2.389 50 40 HEGB O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccc(O)c(O)c1 1885943 GXAMGFSONOVWCJ-VXLYETTFSA-N 412.431 2.286 50 40 HEGB CCOc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1 13021978 HQKNHZSTWVIHPS-SFHVURJKSA-N 401.438 2.440 50 40 HEGB COC(=O)c1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(OC)cc1 14920136 BAVMBFZLJZRPQN-OEAKJJBVSA-N 413.430 2.382 50 40 HEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 101312307 NWXPMZNYVWKVQH-VGNHOVESSA-N 423.741 2.289 50 40 HEGB COC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)C)cc2)c2ccccc21 5625148 AVDSFAZPDMYDAV-FLFQWRMESA-N 409.442 2.229 50 40 HEGB COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(F)cc2)c(C)c(C#N)c1=O 409058940 ZVJCFYKCHBMQMB-MSXFZWOLSA-N 405.389 2.324 50 40 HEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1 409063359 AKNBYYQTJWIZQF-FMCGGJTJSA-N 416.397 2.393 50 40 HEGB CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(Br)cc1 16187213 NOFSECYGAWCMQN-CXUHLZMHSA-N 416.322 2.281 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 3189707 AQPOWRVYQUABTD-XSFVSMFZSA-N 420.560 2.365 50 40 HEGB Cc1cc(C(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1[N+](=O)[O-] 3305264 TYRBTRXRTSRPET-UHFFFAOYSA-N 411.370 2.158 50 40 HEGB CC(=O)NNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C(C)(C)C)C3 35316161 WQLJTEPPGKWLFB-SNVBAGLBSA-N 408.549 2.395 50 40 HEGB COc1cc(C(=O)NNC(=O)c2ccccc2Br)cc2c1OCCO2 7913490 GCENGGKTMQAUDW-UHFFFAOYSA-N 407.220 2.304 50 40 HEGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc(Br)c1O 20086773 ISECVMZZTARDNN-AWEZNQCLSA-N 418.247 2.389 50 40 HEGB COCCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1Cl 2205926 XJHZDWJMVVIQOM-KRWDZBQOSA-N 421.906 2.444 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(F)cc2)c1 3254850 NRLDAVXRPIKUNU-UHFFFAOYSA-N 408.455 2.323 50 40 HEGB O=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1cccc(C(F)(F)F)c1 13074219 BJWFRSXAMFATBQ-UHFFFAOYSA-N 413.421 2.468 50 40 HEGB O=C(NNc1cc(F)cc(F)c1F)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1639623371 DPOVFQFFABJABI-GFCCVEGCSA-N 407.348 2.371 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 6647905 FQDIYXLIHFJCGA-ZVHZXABRSA-N 410.474 2.379 50 40 HEGB Cc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c2nc3n(c2n1)CCCCC3 12544623 SSYWUYYYIPNICF-UHFFFAOYSA-N 417.473 2.497 50 40 HEGB O=C(Cc1ccccc1)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408960765 IRPYGFLMNQTEPA-BUVRLJJBSA-N 404.470 2.193 50 40 HEGB O=C(N/N=C/c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408968985 FGVZTMIIAFJIEI-FYJGNVAPSA-N 405.451 2.082 50 40 HEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc1OC 409392849 SMFRXJNWXGWPQB-ZVBGSRNCSA-N 422.821 2.379 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 3305676 GXFOTVMDSXVPOF-CIAFOILYSA-N 417.487 2.006 50 40 HEGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(OC)cc3OC)cnc2s1 4482921 SVFUYKWPSPTMNO-NKVSQWTQSA-N 400.460 2.188 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1OC 6355440 ATEBOHNYIVJOKE-FYJGNVAPSA-N 419.503 2.006 50 40 HEGB Cc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C)cc2)C=3C#N)cc1 13739454 LOUOEDDCFYHESO-IQKNENRKSA-N 410.502 2.478 50 40 HEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C1 33936233 UTNOVQNYIKGJND-PXNSSMCTSA-N 419.485 2.458 50 40 HEGB CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12C(C#N)=C(N)Oc1n[nH]c(C)c12 39324604 LVPDLJLZRFLHAY-JTSKRJEESA-N 407.474 2.127 50 40 HEGB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl 8416041 YAQWERLXDSPXDB-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB COc1cc(OC)cc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 12978777 KLXBWQRPDGBCSJ-UHFFFAOYSA-N 410.430 2.069 50 40 HEGB COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1OC 19682630 KCVUWWIYVCDXCS-BUVRLJJBSA-N 410.518 2.280 50 40 HEGB CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 39986671 BBOCCVJIFWXHQH-BKUYFWCQSA-N 419.503 2.173 50 40 HEGB COc1ccc(Cl)cc1C(=O)NNC(=O)N1CCC(C(=O)NCC(C)C)CC1 40051410 PXSMPODTMUWIKK-UHFFFAOYSA-N 410.902 2.187 50 40 HEGB O=C(N[C@@H](C(=O)O)c1ccc(B(O)O)cc1)OCC1c2ccccc2-c2ccccc21 196155000 MSFDGFWJUCOZBW-OAQYLSRUSA-N 417.226 2.031 50 40 HEGB Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408677449 BXOYHOBLKUYGHQ-WMLLRYHISA-N 408.248 2.048 50 40 HEGB CC(C)c1c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)nnn1-c1nonc1N 2398002 HGACBRUQPXWGMA-KPSZGOFPSA-N 409.237 2.427 50 40 HEGB CCCc1c(C(=O)N/N=C(\C)c2ccc3ccccc3c2)nnn1-c1nonc1N 5477543 LVYUQJQAVVGHTG-WSDLNYQXSA-N 404.434 2.492 50 40 HEGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc(OC)c1OC 5512426 CEYBZVSBYHPIFO-SSDVNMTOSA-N 405.838 2.132 50 40 HEGB CCOC(=O)CN1CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)CC(=O)N2C1 20348160 AVDSCDDJWCPQKP-CQSZACIVSA-N 417.487 2.282 50 40 HEGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408743271 VNXLAMYQLQQQGN-SBUZPKSBSA-N 414.874 2.428 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408908634 WZKNNNVGFTVYQP-ZXOFLVKFSA-N 405.476 2.009 50 40 HEGB COc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 2342233 JJKVJCOZGYZCDV-AWEZNQCLSA-N 407.348 2.281 50 40 HEGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2I)cc1 3083911 ZAENMKOWYDFELB-RGVLZGJSSA-N 421.238 2.366 50 40 HEGB O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](Cl)CS(=O)(=O)c2ccccc2)cc1 4704595 QZEINZHEKCBKIN-LBPRGKRZSA-N 403.865 2.450 50 40 HEGB CCCc1c(C(=O)N/N=C(/C)c2cccc3ccccc23)nnn1-c1nonc1N 5477631 DQZWAVVDRFHWFE-UUYOSTAYSA-N 404.434 2.492 50 40 HEGB CCOC(=O)C1CCN(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CC1 9795785 NBILVBMRONAPEO-UHFFFAOYSA-N 415.446 2.488 50 40 HEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1 20207993 BTUNPNZQENOULI-PXLXIMEGSA-N 416.503 2.260 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 408616094 VSQZMWCCILDBKG-LBPRGKRZSA-N 402.794 2.062 50 40 HEGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 409236739 HDOJWNMHVFHQFU-CIAFOILYSA-N 415.519 2.181 50 40 HEGB COc1ccc(/C=N\NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1Cl 32929282 HTISLENIUKJVDV-YVNNLAQVSA-N 405.838 2.246 50 40 HEGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1 408972503 UQYULVZBZVAGRU-QJTDOHDFSA-N 411.458 2.020 50 40 HEGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 9360527 UHXHPGGTWCTQJZ-FQEVSTJZSA-N 400.354 2.309 50 40 HEGB COc1cc([C@H]2C(C#N)=C(N)Oc3ncnc(O)c32)cc(Br)c1OC 18201070 YFCWEAORYYMYMR-NSHDSACASA-N 405.208 2.180 50 40 HEGB CCOc1ccc(NC(=O)C(=O)CC(=O)c2sc(NNC(C)=O)nc2C)cc1 102948107 BYXIQYXCBASOHQ-UHFFFAOYSA-N 404.448 2.094 50 40 HEGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 5894486 CTIDPMVOUVUHFG-QQTULTPQSA-N 412.877 2.276 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1OC 408781603 CQZYKRNQWRTUHX-CIAFOILYSA-N 419.503 2.237 50 40 HEGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(N2CCOCC2)o1 409015174 YVKSAIVEBSIOQH-ODLFYWEKSA-N 408.252 2.408 50 40 HEGB N#CC1=C(N)C(C#N)(C#N)C2(CCC3(CC2)OCCO3)[C@H]2CC3(CC=C12)OCCO3 663768 QGVWZGDFFYTLES-KRWDZBQOSA-N 408.458 2.153 50 40 HEGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1 9235487 ZUMVSNBUUFKOPV-FQIOEHTJSA-N 424.457 2.182 50 40 HEGB COCc1cc(C)nc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)c1C#N 33332318 LVGDEINABQJCHT-WNFQYIGGSA-N 417.809 2.499 50 40 HEGB O=C(COC1CCCC1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 69923191 MNTLEWZNBSLNRU-UHFFFAOYSA-N 420.473 2.109 50 40 HEGB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408689472 YGUQZKOUTLRMLB-HRTQJFGHSA-N 422.275 2.356 50 40 HEGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)c1C 408906251 DKOJFZAIRFNUIT-FYJGNVAPSA-N 402.520 2.286 50 40 HEGB COc1cccc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)c1OC 5956639 DNRVDUVKNOJDLE-ABCOOTEDSA-N 401.419 2.092 50 40 HEGB Cc1ccccc1C(=O)NNC(=O)CCCCC(=O)NNC(=O)c1ccccc1C 8396585 ASBGFZKGQKVQBM-UHFFFAOYSA-N 410.474 2.086 50 40 HEGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 8571300 ZQAZTWSMVIUXDS-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(C(=O)O)cc2)c(C)c(C#N)c1=O 28630180 WLSVHELPSCXNFF-MSXFZWOLSA-N 415.409 2.183 50 40 HEGB COc1ccccc1NCC(=O)NNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 32883651 GFTIRPWSPMAIOL-UHFFFAOYSA-N 402.451 2.078 50 40 HEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(Br)ccc2O)cc1 223161602 FNYVEKNDGYFMGZ-OCKHKDLRSA-N 420.219 2.030 50 40 HEGB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408679434 FBBNIVVCRBOSLA-IHXMYUSMSA-N 422.275 2.356 50 40 HEGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1 408972506 UQYULVZBZVAGRU-VQXFCIMOSA-N 411.458 2.020 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1)Nc1ccc(Cl)cc1 409266839 RRMUPXPOAGMKAN-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB CCCOc1ccc(NC(=O)COCC(=O)NNC(=O)c2cccc(F)c2)cc1 4682644 URZQYPDAOFSMAM-UHFFFAOYSA-N 403.410 2.031 50 40 HEGB COCc1cc(C)n(CC(=O)N/N=C/c2cc(Cl)c(O)c(Cl)c2)c(=O)c1C#N 9235138 JBDNHUDRQVMLHD-QPJQQBGISA-N 423.256 2.338 50 40 HEGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 20436751 DSAXTEIMUKJTES-UFWORHAWSA-N 413.415 2.241 50 40 HEGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccccc1 1920523 WVNFEZBATSPKMY-YBFXNURJSA-N 410.415 2.391 50 40 HEGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl 100093168 PFJZEBVUHFVWTK-LSHDLFTRSA-N 417.809 2.482 50 40 HEGB COc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409228212 VZALNRQWMOGUSL-HMAPJEAMSA-N 412.446 2.088 50 40 HEGB N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)NCc1ccco1 1092704 YKTLGUUJQAASTQ-SFQUDFHCSA-N 418.453 2.316 50 40 HEGB CCOc1cc(C(=O)NN)cc(I)c1OCc1cccnc1 226321276 RJDPWXVPGLOYFD-UHFFFAOYSA-N 413.215 2.267 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc(F)c1 408616047 VDAWSRHUNUQDKH-GFCCVEGCSA-N 420.238 2.402 50 40 HEGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccn3)c2C)cc1 408995665 DBFFVMLOFUAHDZ-DHRITJCHSA-N 405.458 2.264 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O 409252210 CSBIDRDZTDLWQG-NKVSQWTQSA-N 420.809 2.275 50 40 HEGB C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NNC(=O)c1cccc(Cl)c1 10899570 JOXWZCPWVZWHLF-SNVBAGLBSA-N 420.857 2.397 50 40 HEGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408910283 JJMRYOKBXABJSA-CIAFOILYSA-N 417.487 2.145 50 40 HEGB O=C(NNS(=O)(=O)c1ccccc1)c1cnn(-c2ccccc2)c1-n1cccc1 4060802 CQNNNMCEDRBBFN-UHFFFAOYSA-N 407.455 2.286 50 40 HEGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1c(S)nnc1-c1cccs1 12821879 YBMZSLHJAUXNSS-SNVBAGLBSA-N 421.479 2.049 50 40 HEGB COc1ccnc(NNC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)n1 46363438 NUBUOFXYESUKSJ-HUUCEWRRSA-N 413.478 2.410 50 40 HEGB C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 49808026 BATUORYJCLTZTR-OELDTZBJSA-N 422.610 2.354 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1 408906261 DWNLKAXZRMRKHG-KGENOOAVSA-N 417.487 2.176 50 40 HEGB O=C(/C=C/c1cccc(Br)c1)NNC(=O)[C@@H]1COc2ccccc2O1 3360534 ONURFLLWZDIIPX-FDMDGMSGSA-N 403.232 2.450 50 40 HEGB CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 6563991 DMTKHQPMXLLEJL-FOWTUZBSSA-N 417.487 2.432 50 40 HEGB COc1ccc(C(=O)NNC(=O)c2cccs2)cc1S(=O)(=O)NC1CCCC1 9508506 DIZISSWWFUENRP-UHFFFAOYSA-N 423.516 2.052 50 40 HEGB Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)n1 32795906 XPEMYEXBFOZVEG-LBPRGKRZSA-N 404.268 2.352 50 40 HEGB COc1cc(SC)ccc1C(=O)N[C@H]1CCN2C(=O)N(CCCl)C(=O)[C@@H]2C1 3840384 MNCXMGFQEHPDBW-FZMZJTMJSA-N 411.911 2.181 50 40 HEGB biogenic,in-vitro Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@H]3C[C@H]3C)cc2)cc1 15797815 JUOSHOPXVVFOEZ-BEFAXECRSA-N 415.515 2.233 50 40 HEGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)C(C)C)cc1 408754160 DSQPNMUGVUMXML-TYJAPOHBSA-N 418.475 2.356 50 40 HEGB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N/N=C/c1ccn(CC(F)(F)F)n1 252502616 URQGIRNAFMQJDX-GEVRCRHISA-N 408.306 2.300 50 40 HEGB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408679433 FBBNIVVCRBOSLA-DJWYYIDESA-N 422.275 2.356 50 40 HEGB N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc21 2266046 FASNPVDDHAHNTE-XHPQRKPJSA-N 423.860 2.241 50 40 HEGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)N(C(C)C)c2ccccc21 4825271 NRXVEKGULWDUGU-GFLNRVGBSA-N 420.469 2.100 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1cc(Cl)cc(Cl)c1 20211474 MVNIITKHIVIOPO-DJKKODMXSA-N 401.275 2.305 50 40 HEGB O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccc(F)c(F)c1 23109261 VCILRJQIGGSKBU-UHFFFAOYSA-N 401.344 2.389 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(F)c2)cc1Cl 39986714 WMPZZMZKMVFOES-JMIUGGIZSA-N 413.858 2.259 50 40 HEGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 58911643 FHBDKNINFTYFNE-SRZZPIQSSA-N 421.295 2.069 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 408914412 WQFDWURMCMWPAU-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1 409173324 ILWWWJQHJVQTAB-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)c1C 409272820 SPXZIGQQIJWGKS-FSJBWODESA-N 408.458 2.050 50 40 HEGB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1 4817645 MUDPVQXQYDFFAQ-KSSFIOAISA-N 416.503 2.013 50 40 HEGB CCCCC(=O)NNC(=S)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC 17082013 HGGMAKQHVKNPHM-UHFFFAOYSA-N 400.526 2.053 50 40 HEGB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408679432 FBBNIVVCRBOSLA-BXLNKUBBSA-N 422.275 2.356 50 40 HEGB O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C\NNC(=O)c1ccccc1Cl 2263603 QYOTWLHJGMEIPT-RAXLEYEMSA-N 406.895 2.034 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1 6953817 UAQDUSGPKYSZHJ-FOKLQQMPSA-N 416.865 2.252 50 40 HEGB Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 12981391 KTWGYWDUFBQOJR-LBPRGKRZSA-N 404.268 2.352 50 40 HEGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1 28215689 PGUQNZKCYVCNRF-AFEQLLIESA-N 411.458 2.133 50 40 HEGB COc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccccc1 59472755 KNFPPMWJSMDETB-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 8369244 OCXQVWZHHJMCMV-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB CN(NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1cnnc(O)c1Cl 17222635 XBIKLVKXOSGMNL-UVTDQMKNSA-N 413.821 2.367 50 40 HEGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCO3)cc1OC 100773748 ZDVQDABQPFMIAR-YDZHTSKRSA-N 413.430 2.496 50 40 HEGB COc1cccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c1 408762865 MSANXEXZGQSOQU-DBRLUCFCSA-N 403.504 2.457 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1O 408784340 BCAJSRVCDVNAHX-CIAFOILYSA-N 419.503 2.441 50 40 HEGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)ccc21 657518 HUPYKZRPUBFUGY-PCLIKHOPSA-N 414.465 2.263 50 40 HEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1 3081175 NEMAEGBITJLGER-ZVBGSRNCSA-N 420.809 2.146 50 40 HEGB Cc1ccc(SCc2c(C(=O)N/N=C/c3ccoc3)nnn2-c2nonc2N)cc1 9307670 TVLCSNXSZPUFJH-DNTJNYDQSA-N 424.446 2.190 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccs2)cc1Cl 16187537 AYMSBXSWVXUYCT-MFOYZWKCSA-N 401.897 2.181 50 40 HEGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3O)c(C)c(C#N)c2=O)cc1 409058015 RJJHHPJMAAVDFS-CFRMEGHHSA-N 417.425 2.281 50 40 HEGB Cc1nc(C)c(C(=O)N/N=C/c2cccnc2)cc1C(=O)N/N=C/c1cccnc1 674524 RECWXNDOTAAOIV-DWGHPKEWSA-N 401.430 2.016 50 40 HEGB Cc1ccc(-c2c(C(=O)N/N=C/c3cccc(F)c3)nnn2-c2nonc2N)cc1 2263996 AVAHZRQSLCSBEJ-LSHDLFTRSA-N 406.381 2.111 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 6497034 ZSBNXNRQKSHUHS-FOKLQQMPSA-N 416.865 2.252 50 40 HEGB Cc1nnc(SCC(=O)NNC(=O)CSc2nc3ccccc3s2)s1 9805734 VNWBTLRVAKZFPM-UHFFFAOYSA-N 411.559 2.488 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccs1 52410853 MZJRWCYCAPLCMQ-SNVBAGLBSA-N 408.277 2.325 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(N)=O 409213249 SZKALVZUDQSFKG-FBHDLOMBSA-N 420.263 2.476 50 40 HEGB N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)N1CCCC1 890499 UTHDJKYHKHASNL-WPNIOXTASA-N 406.486 2.466 50 40 HEGB CCOc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 33717992 XTZWQIIOTLFGAJ-BKUYFWCQSA-N 419.503 2.173 50 40 HEGB O=C(N/N=C/c1ccccn1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59921413 IRWUPVCLFFLGBO-FYJGNVAPSA-N 406.895 2.286 50 40 HEGB COc1cc(/C=C(\C#N)C(=O)NCCN2CCOCC2)ccc1OCCC(C)C 27018718 WEMLFUSSGYNXAB-XMHGGMMESA-N 401.507 2.475 50 40 HEGB Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1NS(C)(=O)=O 40058839 IVSWVLUINUGFOT-UHFFFAOYSA-N 414.443 2.096 50 40 HEGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCc1ccc(F)cc1 408604954 JHHMNOJUVQPKIL-ZMOGYAJESA-N 417.437 2.016 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)C(Cl)Cl)s2)cc1 408731405 MDVYIRUXYHEISS-QGMBQPNBSA-N 415.306 2.039 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1OC 408766192 AAXYODOOFBUDJQ-CIAFOILYSA-N 419.503 2.237 50 40 HEGB CCCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)n1CC 7604913 QDQDLPSSSQHGEF-UHFFFAOYSA-N 411.915 2.222 50 40 HEGB N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@]12C(=O)Nc1ccccc12 4494690 PFDFXHOUTMYPBU-FQEVSTJZSA-N 400.354 2.309 50 40 HEGB O=C(NNS(=O)(=O)c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2)CC1 5757019 OCYJXRWIKKUDCL-UHFFFAOYSA-N 409.458 2.187 50 40 HEGB CCOC(=O)C1=C(C)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@@H]1c1ccco1 25425705 FBAOAANSWUIALQ-GOSISDBHSA-N 417.487 2.131 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccc1Cl 408740497 LCTDGZOMGNXZCV-NPNVKNKFSA-N 400.847 2.120 50 40 HEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408906248 DJZHBSOHRFMUAR-WXUSHSQQSA-N 416.503 2.340 50 40 HEGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 674682 YODCCLJMMQAEBG-UHFFFAOYSA-N 419.503 2.465 50 40 HEGB Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCc3ccco3)c2c1 4679811 PPLWQNYUJHFFAZ-UHFFFAOYSA-N 410.474 2.473 50 40 HEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890145 DVNXWXBTSPNTIT-XSFVSMFZSA-N 416.459 2.146 50 40 HEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 12688334 HGVAERVPROJTKT-UHFFFAOYSA-N 419.466 2.290 50 40 HEGB CCOc1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)cc(OCC)c1OCC 16184775 IKGYRNQWRLNRIN-CQSZACIVSA-N 411.524 2.171 50 40 HEGB CS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 21971214 DNKNQYQEAJBJKM-UHFFFAOYSA-N 407.517 2.463 50 40 HEGB Cn1ccnc1COc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 40119784 YIFVDMNZFBYFKV-UHFFFAOYSA-N 403.442 2.484 50 40 HEGB Cc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1 8414384 FITMKYOIGDABTI-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1cc(C)ccc1O 9423558 ARYUEUUVDHDTAT-LGMDPLHJSA-N 408.458 2.218 50 40 HEGB O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 12905242 YSSOLJKXYHIXEY-GFCCVEGCSA-N 413.908 2.016 50 40 HEGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(=O)n(Cc2ccccc2)c1 16839298 GCLCQLJEAICYNA-UHFFFAOYSA-N 415.405 2.078 50 40 HEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1C 409159394 TXFBKZOKKXTPKP-ZVHZXABRSA-N 422.485 2.393 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 409170025 RYVHNCXZCRTQDT-LSFURLLWSA-N 423.256 2.207 50 40 HEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 409268078 ZEBCCCYUMWUTCC-BUVRLJJBSA-N 422.485 2.339 50 40 HEGB COc1ccc2o/c(=N\NC(=O)COc3ccc(Cl)cc3)c(C(N)=O)cc2c1 868248 HEIGLIFNWULHAH-NMWGTECJSA-N 401.806 2.205 50 40 HEGB CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408690818 WVMSYEYUHUXWFB-MBIARJLFSA-N 408.248 2.373 50 40 HEGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c(C)c(C#N)c1=O 409075022 WUTMQGHYTFDRJP-FMCGGJTJSA-N 416.397 2.393 50 40 HEGB O=C(NNC(=S)Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 727906 YVDHTXGUUVPHSQ-OAHLLOKOSA-N 418.544 2.105 50 40 HEGB CCCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC 21967230 YYJKLRVXPHUWPI-UHFFFAOYSA-N 411.458 2.468 50 40 HEGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC)cc2)S(C)(=O)=O)cc1 408906607 IISHLNWOQUVJOV-HFITWMCCSA-N 419.503 2.399 50 40 HEGB CC1(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)OCCO1 28214483 DCWOAVFKNCARQE-HYARGMPZSA-N 403.479 2.118 50 40 HEGB CCc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408678897 DQYRKRNHYDOTCH-RZRDZNJRSA-N 422.275 2.302 50 40 HEGB O=C(OCC1=C[C@H](Cl)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 31166681 QUOOWFYEPMIYFF-RDGPPVDQSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro Cn1cc(Br)cc1C(=O)NNC(=O)CCc1nc(-c2ccccc2)no1 33234550 MYVNOWKWEKMYDY-UHFFFAOYSA-N 418.251 2.231 50 40 HEGB Cn1nc(C(=O)NNC(=O)CCCc2c[nH]c3ccccc23)c2ccccc2c1=O 3459974 GKRDPCLWUNHNKG-UHFFFAOYSA-N 403.442 2.199 50 40 HEGB Cn1nc(C2CC2)c2c(C(=O)NNC(=S)NC[C@@H]3CCCO3)cc(C3CC3)nc21 17090046 JYJMCYWOFDFHDK-ZDUSSCGKSA-N 414.535 2.011 50 40 HEGB COc1cc(C(=O)NN)cc(I)c1OC(=O)c1ccccc1 226364489 SUCATGWCIXKQAT-UHFFFAOYSA-N 412.183 2.123 50 40 HEGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 408762401 AZFPLDYDXVIZKV-BAOGCXAUSA-N 418.475 2.356 50 40 HEGB CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O1 2266429 WARPTWRTPHQBRG-KRWDZBQOSA-N 414.414 2.051 50 40 HEGB CN1C(=O)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 15930134 UYWMYDUYWLHLIS-NBVRZTHBSA-N 403.192 2.468 50 40 HEGB CCOc1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cc(OCC)c1OCC 16184773 IKGYRNQWRLNRIN-AWEZNQCLSA-N 411.524 2.171 50 40 HEGB CCS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC)c1)c1ccc(OC)cc1 59490253 ZMZITOFLHHBRIX-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)OC)=C(C#N)[C@@H]1c1ccccc1Cl 2376841 BUNUZMSJCOITEI-GJZGRUSLSA-N 408.863 2.374 50 40 HEGB COc1ccccc1/C=C/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 5528800 SFHDRPRWWBFOTO-UHFHOSEDSA-N 412.467 2.031 50 40 HEGB CCOC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)OC(C)(C)C 5828794 AEASTATZRUTDNB-HNNXBMFYSA-N 423.466 2.181 50 40 HEGB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NNC(=O)c1ccco1 9319721 SSGCTMGIQGAHMG-UHFFFAOYSA-N 417.418 2.223 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1 19861302 KYMWDBAYIQYDND-BUVRLJJBSA-N 408.502 2.050 50 40 HEGB CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 40144396 UPJOCUKKLUZGBE-UHFFFAOYSA-N 414.281 2.034 50 40 HEGB CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 40144764 QMWFJUJANDLJHC-UHFFFAOYSA-N 412.471 2.334 50 40 HEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1OC 409354570 IERSEJCHZILABK-ODCIPOBUSA-N 420.805 2.393 50 40 HEGB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1cc(-c2ccccc2)n[nH]1 9491638 CYEWKXJQJSJVMD-UHFFFAOYSA-N 420.425 2.272 50 40 HEGB CS(=O)(=O)SC[C@H](NC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)C(=O)O 22049622 JFNQPHWGTXGNNV-VKHMYHEASA-N 416.334 2.061 50 40 HEGB in-vitro O=C(NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O)Nc1ccc2c(c1)OCO2 23136136 MYHGXHWRZLABNK-UHFFFAOYSA-N 424.388 2.231 50 40 HEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1ccc([N+](=O)[O-])cc1 33909071 WLVFJBHFANEYMM-ODLFYWEKSA-N 410.415 2.391 50 40 HEGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 24799082 NUANQRRTCNSLMR-FOIQADDNSA-N 405.520 2.099 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)Nc1ccccc1 58873423 REKAQKNSCXCJAS-OEAKJJBVSA-N 408.458 2.213 50 40 HEGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(C)(=O)=O 408772700 QNMROAUHIUHAGB-KEBDBYFISA-N 423.878 2.263 50 40 HEGB COc1cc(Br)cc(/C=N/NC(=O)CNC(=O)c2ccccc2)c1O 408815044 RICGEJNMVREBOS-AWQFTUOYSA-N 406.236 2.043 50 40 HEGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1)Nc1ccc(Cl)cc1 409252703 UTALGONPCSGZTD-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB Cc1c(Br)c(C(=O)NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)nn1C 6526691 UMLOQIIXEDLSHJ-ATZCPNFKSA-N 402.362 2.425 50 40 HEGB C#CCN1CCCC[C@H]1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 83812584 PXRSOWFWCCDKGC-NRFANRHFSA-N 405.498 2.291 50 40 HEGB O=C(COC(=O)CCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccc(Cl)cc1 408651540 GTKLFHNQEQICCI-UHFFFAOYSA-N 421.812 2.202 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 408779794 KLYUEEBAPIMWJW-XSFVSMFZSA-N 405.476 2.010 50 40 HEGB COCCNC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 409310602 BGEZFRLDVLLJKR-ZDUSSCGKSA-N 424.320 2.284 50 40 HEGB CCOc1ccc(-c2c(C(=O)N/N=C/[C@@H]3CC=CCC3)nnn2-c2nonc2N)cc1 9460866 UPZDQNUIRHHICP-UMYHVIPVSA-N 422.449 2.370 50 40 HEGB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1cccnc1 12032397 CZZXLHYVKWVYKZ-UKTHLTGXSA-N 418.525 2.196 50 40 HEGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 12998402 JCVLURDRYCPZPY-QWRGUYRKSA-N 403.435 2.487 50 40 HEGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)o1 9459697 KQIXQFMKEXGIKY-AWQFTUOYSA-N 424.446 2.190 50 40 HEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)CC#N)cc1 9882825 ZIPJLARFFBDDOZ-UHFFFAOYSA-N 400.822 2.341 50 40 HEGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccccc3Cl)C(=O)NC2=S)cc1 408760104 RPAVPBGMFJETDC-YYLUKMIBSA-N 414.874 2.428 50 40 HEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(F)cc1F 8404931 WSKDYRPVHAMMBP-AUEPDCJTSA-N 424.371 2.332 50 40 HEGB N#CC1=C(N)C(C#N)=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@@H]1c1cccc(F)c1 8742143 KNKQISZMBGNMKE-UIHGZKEASA-N 418.428 2.030 50 40 HEGB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1ccc(Cl)cc1 12871861 MJOFEMJOCUMGIM-CQSZACIVSA-N 415.924 2.166 50 40 HEGB COc1ccc(C(=O)NNC(=O)[C@]2(C)CC2(Br)Br)cc1 2317042 WDPMBXUMMDQYTB-LBPRGKRZSA-N 406.074 2.352 50 40 HEGB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2)C1 5856990 XVPOTQVTRUHEFH-HOTGVXAUSA-N 415.515 2.428 50 40 HEGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1 5953621 QTLLRHZDUWCJJH-XSFVSMFZSA-N 405.476 2.097 50 40 HEGB Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 8413365 LHSPYCGMQZPJHI-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB COc1ccccc1N1C(=O)C[C@H](NNC(=O)c2ccccc2Br)C1=O 100116012 HEYJMUHJOIBAPV-ZDUSSCGKSA-N 418.247 2.024 50 40 HEGB N#CCOc1ccccc1/C=N/NC(=O)CNC(=O)COc1ccc2c(c1)CCCC2 4680087 FYXBWSXPIRHMTQ-VULFUBBASA-N 420.469 2.113 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1 6607226 WHAKOXPIVDZUSQ-SRZZPIQSSA-N 419.503 2.058 50 40 HEGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@@H]3C[C@H]3C)cc2)cc1 15797819 JUOSHOPXVVFOEZ-DNVCBOLYSA-N 415.515 2.233 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(Br)cc1)C1CCCCC1 108984687 MQTKEOVOUDDMMC-WQRHYEAKSA-N 416.341 2.494 50 40 HEGB C[C@@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118923738 BATUORYJCLTZTR-HMDNFEGGSA-N 422.610 2.354 50 40 HEGB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)CC1CCCCC1 199417647 VWRRITYQBDLJGN-UHFFFAOYSA-N 415.538 2.018 50 40 HEGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O 408776834 ZTUNAARWLLEJNU-KGENOOAVSA-N 418.519 2.068 50 40 HEGB CCCn1nc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)c2ccccc2c1=O 13008256 WBPGWHVEGMMNRJ-WYMLVPIESA-N 412.471 2.042 50 40 HEGB COc1ccc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1OC 13619727 YALGWXSDQWWBRE-QGZVFWFLSA-N 400.431 2.336 50 40 HEGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2OC)c2ccccc21 1841271 PGLWLYBNKFQWSL-GFLNRVGBSA-N 420.469 2.102 50 40 HEGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)cc3O)s2)cc1 1953666 TYLBHGYGJQQWSG-KEBDBYFISA-N 411.443 2.203 50 40 HEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1 6606975 DDGNJPAAVNZHGZ-UFFVCSGVSA-N 417.487 2.111 50 40 HEGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OC)c2)cc1OC 409314424 GCWBDTZHGCWRPN-UUYOSTAYSA-N 414.414 2.496 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 6430273 FZWFRARVWWMYSZ-FSJBWODESA-N 416.865 2.334 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 6879504 TZFRHBLZYRDJDF-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc(F)c1 100141847 ZQWXPQHSWRVWOX-AWEZNQCLSA-N 406.211 2.155 50 40 HEGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1)S(C)(=O)=O 408780042 QVVSCIXSOJPCTI-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Cl)c1OCC(=O)O 409147883 ZYCVAKPTBFCVAE-FBCYGCLPSA-N 423.765 2.190 50 40 HEGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 4525719 RGMZOHVFXLZLTQ-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)c1C 6035045 VHCHUWTYQHEBOW-FSJBWODESA-N 408.458 2.050 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(Cl)cc1 6528731 KFAPLJNHXZZOKJ-PITUFAOZSA-N 402.769 2.094 50 40 HEGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1O 6858338 GGZRBVJFDRHQNW-RGVLZGJSSA-N 411.443 2.197 50 40 HEGB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NNC(=O)c3ccc[nH]c3=O)c2n1 12562820 ZRHHZRFAFIDRKK-UHFFFAOYSA-N 421.240 2.378 50 40 HEGB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccccc1Cl)C2=O 32975857 IQEONEYGOUVMKS-MPBGBICISA-N 420.897 2.238 50 40 HEGB CCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1O 104216608 DPHNZBHPYDOCLO-OCKHKDLRSA-N 406.782 2.441 50 40 HEGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6948772 XLCWFBSSSNWZLG-OAHLLOKOSA-N 401.488 2.413 50 40 HEGB COC(=O)c1c/c(=N/NC(=O)CC(=O)Nc2ccccc2OC)c2ccccc2o1 31840902 ZKBLTTCSYKRFKG-HAHDFKILSA-N 409.398 2.189 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccccc1 58873768 LCDKAUPDGILGMP-ZMOGYAJESA-N 420.425 2.064 50 40 HEGB CC(C)c1noc2ncc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc12 95459094 YTHIFKBLMAAXIO-UHFFFAOYSA-N 415.837 2.077 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2ccccn2c1=O 2410815 KHMWRAAFKHNNGJ-FYWRMAATSA-N 420.425 2.165 50 40 HEGB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1ccc(Cl)cc1 2639963 FJCVKMFZEZUZKW-KRXBUXKQSA-N 402.790 2.086 50 40 HEGB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1[C@H]1[C@H](Br)[C@H](Br)[C@H]21 5395511 IKWBZJIIPSEQNE-ZJTBKPELSA-N 406.070 2.218 50 40 HEGB COc1ccc(CCC(=O)NNS(=O)(=O)c2ccccc2)cc1Br 32786856 OJHYKHFQAJOVDU-UHFFFAOYSA-N 413.293 2.400 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1C 408680441 GGUGYLNOWQRSBZ-RZRDZNJRSA-N 422.275 2.356 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1cc(Cl)ccc1Cl 409026304 LJNXJBBRTYCREZ-DJKKODMXSA-N 401.275 2.305 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)c1 409054231 IGNIPJGKORIFMH-MSXFZWOLSA-N 405.389 2.324 50 40 HEGB O=C(COc1ccc(Br)cc1Br)NNC(=O)C(F)(F)F 2134551 JRZWBEFOMHQIMQ-UHFFFAOYSA-N 419.979 2.300 50 40 HEGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)c1ccc2c(c1)OCO2 2254110 SHGATLGVIQNTLA-UHFFFAOYSA-N 424.438 2.328 50 40 HEGB CN1CCC(=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1 20232954 UZVPFMXYYIQAKG-UHFFFAOYSA-N 400.504 2.323 50 40 HEGB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)no1 102630953 IFPRZDPGAPGJEI-MWWKMCRESA-N 404.058 2.265 50 40 HEGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccnc1 4134915 DDLAHPMIMLVXEQ-LIPDQUKKSA-N 400.070 2.364 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 6428411 QCQOFELWZVACDS-ZMOGYAJESA-N 414.437 2.210 50 40 HEGB O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 12502225 QEYCHWNVSIEROP-UHFFFAOYSA-N 423.794 2.106 50 40 HEGB CCc1ccc(OCC(=O)NNC(=O)Cn2c(S)nnc2-c2cccs2)cc1 12817839 HRGPYAKGUJEORV-UHFFFAOYSA-N 417.516 2.084 50 40 HEGB COc1ccc2c(c1)[C@]1(C(=O)N2C)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 13629060 JNKDGVVYVDBJEK-QFIPXVFZSA-N 401.378 2.150 50 40 HEGB CCCc1ccc(N2C[C@H](C(=O)NNS(=O)(=O)c3ccccc3)CC2=O)cc1 32795994 JCZHXPLKIIPIJT-MRXNPFEDSA-N 401.488 2.002 50 40 HEGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408854796 BLRDBTJFBYSGCF-SSDVNMTOSA-N 418.881 2.228 50 40 HEGB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1cccnc1 4738923 NRRSPAVRHCPHNZ-UHFFFAOYSA-N 404.426 2.224 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1 6295752 GNRSQTASCHJGQZ-FSJBWODESA-N 414.849 2.110 50 40 HEGB COC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@H]1C(=O)OC)[C@H]1[C@H](Br)[C@H](Br)[C@H]21 104429764 ORAZXYAVSPPWHK-TYMLGRTHSA-N 408.086 2.154 50 40 HEGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)c(OC)c1 408866105 GIKKOFQUSLLAPA-FYJGNVAPSA-N 423.466 2.149 50 40 HEGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)c1 409272490 QPXMOMOKPJJFPE-FSJBWODESA-N 408.458 2.050 50 40 HEGB COc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 3470135 LDCWZCKDDHAGKR-KGENOOAVSA-N 417.487 2.252 50 40 HEGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cc2c(cc1Cl)OCO2 27500037 OJFOTKCFONYNRO-UFWORHAWSA-N 416.850 2.287 50 40 HEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 33621685 QPPWJJCVCNZADB-FYJGNVAPSA-N 411.418 2.154 50 40 HEGB O=C(NNC(=S)NC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 2690709 UTUUZTXIZIQQAD-UHFFFAOYSA-N 423.248 2.307 50 40 HEGB CCOc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1O 19682553 DANLTIYJTZYCCV-BUVRLJJBSA-N 410.518 2.367 50 40 HEGB Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1 409261611 FELPWGYEFBXKEK-FSJBWODESA-N 408.458 2.050 50 40 HEGB COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc(OC)c1OC 1633538 CWANEKNGPVYVPP-JKSUJKDBSA-N 406.822 2.254 50 40 HEGB Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3Cl)C(=O)NC2=S)cc1 9332147 MLMHKSRLYGZQCI-GXDHUFHOSA-N 414.874 2.215 50 40 HEGB Cc1cccc(N2N=C(C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)CCC2=O)c1 9885262 NECZJEZHHKCFFZ-UHFFFAOYSA-N 416.441 2.329 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1cc(Cl)cc(Cl)c1 20211477 PBOYNQGFGLGEEX-DJKKODMXSA-N 401.275 2.305 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 6327601 MJSOYGBWUMWAQP-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1ccccc1O 100871982 MEEZXDNYDCPARC-KXYDBCRFSA-N 401.465 2.330 50 40 HEGB COc1ccccc1/C=N\NC(=O)c1nn(-c2ccccc2OC)c(=O)c(C#N)c1C 409060865 YUMCZMJVLZPWOI-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=N/NC(=O)c2ccccc2)C[C@H](C)O1 5376703 DOFREUBQPCYDOP-CCODGHKUSA-N 405.458 2.072 50 40 HEGB CN(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccc(F)cc1 6544384 QQOQXCBWOUCQQX-AWQFTUOYSA-N 401.822 2.389 50 40 HEGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1 6607329 BBFUXLJOFDCOAP-SRZZPIQSSA-N 419.503 2.058 50 40 HEGB CN(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 8042713 PKWZGBSBFPWUHC-VCHYOVAHSA-N 410.839 2.019 50 40 HEGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccc(Br)cc1 408729809 DIFIFQYVDPQPMG-FRKPEAEDSA-N 416.688 2.171 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1OC)S(C)(=O)=O 408770944 BEYBOOVJFKPXDJ-FYJGNVAPSA-N 419.503 2.183 50 40 HEGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408791179 VWCBIZGFTFOTJL-XDHOZWIPSA-N 408.411 2.040 50 40 HEGB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2ccc(C)cc2C)cc1 14183018 YRLUSPPQQIPOMG-IBGZPJMESA-N 415.515 2.226 50 40 HEGB CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1 33707237 XLNLDJJAILSJSC-BKUYFWCQSA-N 419.503 2.173 50 40 HEGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(Cl)cc1 2520704 SHPCXROKRIUJDH-UFFVCSGVSA-N 408.809 2.317 50 40 HEGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(O)c1 4698936 XXHKXIXLMLIODS-FYJGNVAPSA-N 413.455 2.326 50 40 HEGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(Cl)c1 408843979 URSYUEUEZHMLOF-LPYMAVHISA-N 401.850 2.342 50 40 HEGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OC)c2)cc1OC 409319943 NZGTZBSGSNITQX-FMCGGJTJSA-N 415.446 2.121 50 40 HEGB COc1ccc(C(=O)NNS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 14182840 HBPJXBACCVRUKE-UHFFFAOYSA-N 421.219 2.359 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1C 20208726 RUQXHGUGITUEIT-LPYMAVHISA-N 414.487 2.122 50 40 HEGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1Cl 58884797 KHCMAOVKZQWLCK-UFFVCSGVSA-N 421.837 2.463 50 40 HEGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc2c(c1)OCO2 59516229 KCSISZXZGZXYCR-UFWORHAWSA-N 420.219 2.275 50 40 HEGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)cc1OC 20211311 KBKBGPIBCKJPRK-LDADJPATSA-N 411.505 2.072 50 40 HEGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2C)cc1 52602660 MOCYYRVPQTWGOQ-RLGUWMIQSA-N 413.499 2.313 50 40 HEGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885099 QJKMFAQZHVWMFE-GIJQJNRQSA-N 421.207 2.455 50 40 HEGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccc(Cl)cc3)C(=O)NC2=S)cc1 408762675 LTHQPNLCZMTRJR-IZBZYRJBSA-N 414.874 2.428 50 40 HEGB Cc1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1 8413314 KHJMUUKAZNISLB-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB O=C(NNC(=O)C1CCN(c2ccc(Cl)cn2)CC1)c1ccc2c(c1)OCO2 32484925 FQXVXQNHRARTKT-UHFFFAOYSA-N 402.838 2.141 50 40 HEGB Cc1cccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c1C 408922397 AKKMTRMWISJLRR-YBFXNURJSA-N 404.448 2.128 50 40 HEGB N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NCc1ccccc1 20572189 WNRCMBRZHJVSHA-SILNSSARSA-N 404.470 2.257 50 40 HEGB COc1ccc(C(=O)NNC(=O)c2ccoc2C)cc1I 955287 SQXPNTLZDAXRES-UHFFFAOYSA-N 400.172 2.276 50 40 HEGB O=C(O)COc1ccc(/C=N/NC(=O)COc2cccc(Br)c2)cc1 3573115 WFQFTSMCNJDBAC-DJKKODMXSA-N 407.220 2.442 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 6324022 ZEVLOVISPPVTSU-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 6497032 NVFRKSWDKQLUGZ-FOKLQQMPSA-N 416.865 2.252 50 40 HEGB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)NNC(=O)c1ccc(F)cc1 12813758 MEUIEXBFSUUIFB-UHFFFAOYSA-N 415.450 2.489 50 40 HEGB CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(C)=O)n12)CCCC3 4848081 JDCKEXLNIVTIGA-UHFFFAOYSA-N 404.521 2.040 50 40 HEGB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 5716790 HHVGVWBYUGPHMT-HSZRJFAPSA-N 415.405 2.301 50 40 HEGB CN(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1cc(Cl)ccc1Cl 16187177 XVAFLGITVBKTLD-DJKKODMXSA-N 416.286 2.470 50 40 HEGB O=C(OCC1=C[C@@H](Cl)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 35464197 QUOOWFYEPMIYFF-AKHDSKFASA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59679454 QEEINCGTIHDHJE-LSCVHKIXSA-N 423.425 2.256 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(F)cc1 408614740 HBWSOTJZJKJBCS-GFCCVEGCSA-N 420.238 2.402 50 40 HEGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1O)OCc1ccccc1 408993929 XOGBBCMSWXFLQP-SFQCIDFKSA-N 407.430 2.103 50 40 HEGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccncc2)sc2c1CCC2 5156804 CZPATPPBAUYGFR-SSDVNMTOSA-N 400.460 2.287 50 40 HEGB O=C(NNC(=O)c1cc(I)ccc1Cl)c1ccncc1 6234928 YUECTWKNIINOSA-UHFFFAOYSA-N 401.591 2.414 50 40 HEGB N#Cc1ccc(S(=O)(=O)NNC(=O)CSc2nc3ccccc3s2)cc1 7518110 KJBVFKFHYAZPGF-UHFFFAOYSA-N 404.498 2.270 50 40 HEGB COc1ccc(OC)c(/C=N\NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1 31783419 LHJQGCCZEORLSR-WNFQYIGGSA-N 400.460 2.242 50 40 HEGB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408687460 ULTKCYUOIQMSHD-CHFZEGSISA-N 422.275 2.356 50 40 HEGB CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O1 658980 QYOCZFSYVSOSDQ-GOSISDBHSA-N 416.430 2.282 50 40 HEGB Cc1ccc(-c2c(C(=O)N/N=C/c3sccc3C)nnn2-c2nonc2N)cc1 2403428 BNGUOCNFUTYYIG-AWQFTUOYSA-N 408.447 2.342 50 40 HEGB Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCCl 10104399 QTGFADOUYHVIPO-UHFFFAOYSA-N 406.273 2.398 50 40 HEGB O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1csc(-c2ccc(F)cc2)n1 15632197 YGANKOVFILBQJN-UHFFFAOYSA-N 422.419 2.481 50 40 HEGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc([N+](=O)[O-])cc2)=N\NC(N)=S)s1 17215530 BNIAWKZCZUSMNP-RMAQBEHBSA-N 419.492 2.073 50 40 HEGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccncc2)c1C#N 59459484 BFFFGCZVLDKWGT-ODCIPOBUSA-N 418.251 2.095 50 40 HEGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1C 409013091 MHLCRDFQANWJLP-AFUMVMLFSA-N 424.501 2.103 50 40 HEGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)cc3)c(C)c(C#N)c2=O)cc1 409058311 NPWACTZCDBNNNC-CFRMEGHHSA-N 417.425 2.281 50 40 HEGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 2134771 XCXBPMDDBVPHSO-UHFFFAOYSA-N 414.418 2.157 50 40 HEGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccccc2OC)cc1OC 6458259 XFDWUGCPNDKPGQ-PKNBQFBNSA-N 415.471 2.061 50 40 HEGB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1 14246342 FFBOPOJLPPTUCE-UHFFFAOYSA-N 423.878 2.320 50 40 HEGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 22309642 SUJHMEYDTSBRJF-ZYBWJBSQSA-N 413.474 2.337 50 40 HEGB COC(=O)Oc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 408860546 YBQMELVTEYOSEV-DJKKODMXSA-N 404.448 2.490 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC 408926983 XCRNFKKHHLQBMU-GNUZOCDUSA-N 405.476 2.009 50 40 HEGB O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 16050792 VKUIITATDZEZAG-UHFFFAOYSA-N 421.335 2.353 50 40 HEGB CCOC(=O)[C@@H]1[C@@H](c2cccs2)C(C#N)=C(SCC(=O)NC2CC2)N[C@]1(C)O 22172286 OKPJBOHOSBTJML-JTDSTZFVSA-N 421.544 2.070 50 40 HEGB CN(C)CN1C(=O)/C(=N/NC(=O)CSc2nc3ccccc3o2)c2ccccc21 100257345 NRWOCFCOKVHHNZ-PTGBLXJZSA-N 409.471 2.306 50 40 HEGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)ccc1OC 409321351 HFFQERSRECUAJO-YVNNLAQVSA-N 405.838 2.375 50 40 HEGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cncc(Br)c1 3186484 KWQFVLZGWQSQKV-FZSIALSZSA-N 410.140 2.130 50 40 HEGB CCN(CC)C[C@H](C(=O)Nc1c(C)cccc1C)/C(C)=N\NC(=O)C[N+](C)(C)C 17211460 RPMYPUJLESTHHA-NWUSPQHDSA-O 404.579 2.398 50 40 HEGB COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1Br 44394672 INXDAPYRRFOYMK-VXLYETTFSA-N 415.251 2.262 50 40 HEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1[nH]ncc1Br 867436 ZKBYCBNSPDPLFU-CRKCGEKBSA-N 416.029 2.427 50 40 HEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3ccccc3O)c3sc(=O)[nH]c3S[C@H]21 245241656 MEEZXDNYDCPARC-UDONIMFZSA-N 401.465 2.330 50 40 HEGB CN1CCC(=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 408827410 JNAKANICULMNBI-UHFFFAOYSA-N 418.494 2.219 50 40 HEGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cc1ccccc1Cl 4895487 FEXOWAYKYSGOKJ-UHFFFAOYSA-N 400.910 2.242 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1 6879484 XIWYAZGWXRHEDM-FSJBWODESA-N 416.865 2.334 50 40 HEGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1cc(Br)c[nH]1 8123182 GYVCDDSJNGQRPE-LBPRGKRZSA-N 409.265 2.041 50 40 HEGB COc1cc(/C=N\NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1O 36653063 GGZRBVJFDRHQNW-JAIQZWGSSA-N 411.443 2.197 50 40 HEGB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408687461 ULTKCYUOIQMSHD-IWEZOXBWSA-N 422.275 2.356 50 40 HEGB Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1 409262899 JJOODSBLNBIRCQ-FSJBWODESA-N 408.458 2.050 50 40 HEGB CC1(C)O[C@@H]2CO[C@H]3OC(C)(C)O[C@]3(/C=N/NC(=O)c3cc4ccccc4[nH]3)[C@@H]2O1 38797032 GHSQPBSXDHFYSL-DRFZBNJPSA-N 415.446 2.282 50 40 HEGB CCC(CC)C(=O)N(NC(=O)c1ccncc1)[C@H]1CC(=O)N(c2ccccc2)C1=O 100126218 WFJVHWRSCBBMJK-SFHVURJKSA-N 408.458 2.323 50 40 HEGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(OC)c1 408721451 QTEPSPCLAUBAJY-HYARGMPZSA-N 407.478 2.345 50 40 HEGB CN(c1ccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1)S(C)(=O)=O 409134267 NPINWODIRZPPQQ-RGVLZGJSSA-N 419.528 2.341 50 40 HEGB Cn1cc(Br)c(C(=O)N/N=C/c2cc(Br)ccc2O)n1 1089367 MEDWOHONAJXBJJ-PJQLUOCWSA-N 402.046 2.415 50 40 HEGB COc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)ccc1O 3666859 CFUKWBZPQPNUSE-CAOOACKPSA-N 412.183 2.475 50 40 HEGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 6607241 UCQNRZRAKPULQI-SRZZPIQSSA-N 419.503 2.058 50 40 HEGB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 12603837 QBSRMTNPZQTJGI-INIZCTEOSA-N 417.897 2.158 50 40 HEGB COc1cc(C(=O)N/N=C2\C(=O)Nc3ccccc32)ccc1I 16195918 PIKAXHGVUCIKBM-UHFFFAOYSA-N 421.194 2.386 50 40 HEGB C#CCN1CCCC[C@@H]1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 83812581 PXRSOWFWCCDKGC-OAQYLSRUSA-N 405.498 2.291 50 40 HEGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)cc3)s2)cc1 9041110 UNZBPKBMXBIZDM-RGVLZGJSSA-N 411.443 2.197 50 40 HEGB CS(=O)(=O)[C@H](I)C(=O)c1ccc(Br)cc1 96517903 PJHSIOOMOMKCEY-VIFPVBQESA-N 403.035 2.438 50 40 HEGB COc1cccc(-c2c(C(=O)N/N=C/c3sccc3C)nnn2-c2nonc2N)c1 2446496 DMRNXAQDSFKBTJ-AWQFTUOYSA-N 424.446 2.042 50 40 HEGB CCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)ccc1O 6537483 FHZAOIWKIFFJFH-SRZZPIQSSA-N 419.503 2.145 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Br)c1 408615391 PUSQQDPNPXINRS-ZDUSSCGKSA-N 402.248 2.263 50 40 HEGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c1O 36239661 MGLFTNSCXPBOMQ-RGVLZGJSSA-N 403.391 2.409 50 40 HEGB CCOc1cc(/C=N/NC(C)=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 41078011 CRMZZLPQLHSFTQ-WOJGMQOQSA-N 407.404 2.231 50 40 HEGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1ccc(Cl)cc1Cl 2328406 SOGORDJSGOFIBT-BTHWYHFWSA-N 408.241 2.400 50 40 HEGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccs1)S(C)(=O)=O 4519845 NLKCSSJDNURVNN-RQZCQDPDSA-N 401.897 2.326 50 40 HEGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCC(=O)N1CCCC1 409195808 LCQNJXFOUKYOIW-KWXFCVSUSA-N 420.469 2.454 50 40 HEGB O=C1[C@H]2[C@@H](C(=O)N1c1cccnc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 4134914 DDLAHPMIMLVXEQ-CJXDBHJTSA-N 400.070 2.364 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2ccccn2c1=O 4205363 PCRZHGZPTWBZHD-DTQAZKPQSA-N 404.426 2.465 50 40 HEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(F)c(F)c1 15162126 SOGUSAFKVXPPMD-AUEPDCJTSA-N 424.371 2.332 50 40 HEGB Cc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 857153 QHNUVQDQZWQWEJ-OAHLLOKOSA-N 402.248 2.324 50 40 HEGB CCOC(=O)CN1CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)CC(=O)N2C1 20348162 AVDSCDDJWCPQKP-AWEZNQCLSA-N 417.487 2.282 50 40 HEGB Cc1ccc[n+]([C@@H]2C(=O)NC(S)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 32039574 RYSYUMGIFWOLNK-CVEARBPZSA-O 412.407 2.219 50 40 HEGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(Cl)c1 103519625 LGRADWSNBMSOIF-BRYYZUPOSA-N 405.863 2.032 50 40 HEGB O=C(COc1ccc(I)cc1)N/N=C/c1ccc(O)c(O)c1 4703520 CHKGDTQLAYXYRF-CAOOACKPSA-N 412.183 2.232 50 40 HEGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)C/C=C/c2ccccc2OC)c2ccccc21 5903781 ZJKSRXGGRHUXOH-RBEGLSBUSA-N 420.469 2.102 50 40 HEGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1cc(Br)c[nH]1 8123184 GYVCDDSJNGQRPE-GFCCVEGCSA-N 409.265 2.041 50 40 HEGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCC(=O)OC 8811148 SPGBZZGYSACTHB-WSDLNYQXSA-N 416.430 2.418 50 40 HEGB CCN(CC)C[C@@H](C(=O)Nc1c(C)cccc1C)/C(C)=N\NC(=O)C[N+](C)(C)C 17211457 RPMYPUJLESTHHA-VZMLSGIISA-O 404.579 2.398 50 40 HEGB O=C(N/N=C/c1ccc(I)o1)c1cccc([N+](=O)[O-])c1O 83327933 FZAFYZBFCVLUOV-MKMNVTDBSA-N 401.116 2.262 50 40 HEGB Cn1/c(=N\NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)sc2ccccc21 101211253 AVMUXYZYGHXOBN-HEHNFIMWSA-N 424.935 2.194 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1 408608126 GMVVBXHMTPLURB-UFFVCSGVSA-N 420.263 2.233 50 40 HEGB O=C(Cc1ccccc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408744453 ZZWWYLFSFZNNLV-FPQGOQEYSA-N 414.874 2.049 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl 6327620 DLMWLBJQNOSBAC-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)N1CCCC1 890496 UTHDJKYHKHASNL-XYSGSMRZSA-N 406.486 2.466 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 6610146 KWILURPVELCEAW-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB O=C(N/N=C/c1ccc(Br)cc1)[C@H](c1ccncc1)N1CCOCC1 20029556 JYTUJZQKOVTWIY-RSZPVBOMSA-N 403.280 2.368 50 40 HEGB Cn1c(=O)[nH]c(=O)c2c1nc(SCCOCCCl)n2CCCc1ccccc1 4726077 SQDYLFNPCSWXQI-UHFFFAOYSA-N 422.938 2.404 50 40 HEGB C=CCn1c(SCC(=O)NNC(=O)c2ccccc2F)nc2ccccc2c1=O 7975160 ILQFXXNQUQREAZ-UHFFFAOYSA-N 412.446 2.275 50 40 HEGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)COc1ccc(Cl)cc1 5282447 ZHTBGCAZGAQQBE-FSJBWODESA-N 402.838 2.339 50 40 HEGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cccc(Br)c1 5749695 ZHUBAKMORCJBIY-DJKKODMXSA-N 403.215 2.392 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 6428405 DFXYBVFHKFXOKE-ZVHZXABRSA-N 410.474 2.379 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C 6497050 DJNOUZBCMKORJJ-FOKLQQMPSA-N 416.865 2.252 50 40 HEGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 16479507 VNFWFTDXTUWRMW-HZHRSRAPSA-N 408.483 2.423 50 40 HEGB COc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1OC 22942844 KAIBVYSPOGDFKA-BUVRLJJBSA-N 410.518 2.280 50 40 HEGB Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1 832278 VNESTJXAIAFGHV-UHFFFAOYSA-N 406.416 2.143 50 40 HEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 20207807 RAXZZHOMWYXDJD-PXLXIMEGSA-N 416.503 2.260 50 40 HEGB CN(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1ccccc1 6544616 KLDSSWSACBEBLI-WOJGMQOQSA-N 410.293 2.220 50 40 HEGB Cc1c(C(=O)NNC(=O)c2ccccc2O)sc2nc3n(c(=O)c12)CCCCC3 13021257 ACHJHJWTJARRRP-UHFFFAOYSA-N 412.471 2.273 50 40 HEGB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccc1O 17525854 CWZSWBLAVUDINH-HNNXBMFYSA-N 421.906 2.358 50 40 HEGB C[C@@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 23187859 FWHHBKMBDPQOHD-OCCSQVGLSA-N 408.483 2.497 50 40 HEGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 409157904 QNTUNRFYWYVYSO-LSFURLLWSA-N 423.256 2.207 50 40 HEGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCC(=O)Nc1ccc(C)cc1 409246137 FNURUQALTYEAFL-DHDCSXOGSA-N 408.414 2.123 50 40 HEGB COc1ccc2cnnc(SCC(=O)NNC(=O)c3cccs3)c2c1OC 2414622 DOPNXOVZYULUOS-UHFFFAOYSA-N 404.473 2.262 50 40 HEGB CCN(CC)C(=O)COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC 19853587 HSDFSOFFLLGIBK-UHFFFAOYSA-N 413.503 2.161 50 40 HEGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 19955377 AGMFMADFXGNPFO-YBFXNURJSA-N 404.448 2.128 50 40 HEGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)[C@H](C)Sc1nc2ccccc2s1 25581814 NUVBROCXJQYZCD-NTOSSWPYSA-N 405.465 2.469 50 40 HEGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccnc1 239579007 DDLAHPMIMLVXEQ-MOCCIAMBSA-N 400.070 2.364 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OC 409120233 SOKKHNFPCFMJMR-FYJGNVAPSA-N 423.466 2.149 50 40 HEGB C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(O)cc4O)c(=O)c23)C1 954716 CMORMCNHGPCPCO-SBRBXRRPSA-N 412.471 2.144 50 40 HEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C)c1 6456196 UNAYOQFLZZXRFL-RGVLZGJSSA-N 418.475 2.291 50 40 HEGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccnc1 100842970 DDLAHPMIMLVXEQ-IQMQYZSSSA-N 400.070 2.364 50 40 HEGB COc1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408972592 PJPAVDYWOPHMCH-HYARGMPZSA-N 419.478 2.385 50 40 HEGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1cccc(S(=O)(=O)N2CCOCC2)c1 5163430 GNTQBUAYCZXFMI-UHFFFAOYSA-N 417.531 2.249 50 40 HEGB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 25386501 YKYJVXCNKGMECX-OQPBUACISA-N 407.323 2.316 50 40 HEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(I)o1 33335694 FPDYWKFUMCEZKF-CHHVJCJISA-N 415.143 2.322 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 408615382 PSKFOOUVUJPZDH-ZDUSSCGKSA-N 402.248 2.263 50 40 HEGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCC#N 59334374 ATNYGEHFOXGIPI-WDZFZDKYSA-N 411.199 2.197 50 40 HEGB O=C(N/N=C/c1cc(Br)ccc1NCc1ccco1)C(=O)NC1CC1 408707554 KIVXHDCAYNVNFQ-AWQFTUOYSA-N 405.252 2.383 50 40 HEGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1 2210637 TUUIMWMGGCTFLH-VQIMIIECSA-N 421.453 2.341 50 40 HEGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)c(C)c2[nH]c1=O 4132091 OUAVPJMOTIESIY-SFHVURJKSA-N 409.442 2.416 50 40 HEGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(I)c1OC 4702574 LTFDKNSVLXRKEU-QGMBQPNBSA-N 411.199 2.467 50 40 HEGB COCc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 5248745 ZYPVVNBCIMIJHS-HSZRJFAPSA-N 413.437 2.475 50 40 HEGB CC(C)(C)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(Br)cc2)CC1 17331127 OPLKQKSZLFJNAF-UHFFFAOYSA-N 410.312 2.495 50 40 HEGB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408687246 TYVSRUBDGGFVDE-CQSLXQFASA-N 411.208 2.113 50 40 HEGB COc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)Nc4ccccc42)C(C#N)=C(N)O3)cc1OC 1087450 YRWOQMGRJPUPRR-QFIPXVFZSA-N 415.409 2.418 50 40 HEGB COc1ccc(C(=O)NNC(=O)c2cccs2)cc1I 5918133 BIBVMIMZAOHNJU-UHFFFAOYSA-N 402.213 2.436 50 40 HEGB CCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2cc(Br)ccc21 13563641 QHKDNRNMFPQRGV-MURKYSCBSA-N 402.248 2.370 50 40 HEGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1nccs1 100968794 AHPXHHAPHJBUJZ-JQVLLDJOSA-N 406.099 2.425 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 409268316 YXUHQPIIMGWPHE-OHHQFBAHSA-N 410.474 2.377 50 40 HEGB COc1ccccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 4357715 MOIBGPWTRRZNMA-LPYMAVHISA-N 413.434 2.002 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 6430373 MBHBFTVFPHKCOH-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB COc1cc(OC)cc(C(=O)NNC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 8724152 XQOWSCZJPQECGL-UHFFFAOYSA-N 419.865 2.328 50 40 HEGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)cc1C 9576098 XVLYGJKTPPNZKE-CIKBWMHTSA-N 419.890 2.340 50 40 HEGB N#C/C(=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1)c1ccc(-n2cnnn2)cc1 12374849 HSFHRJWWYZCPEW-FOWTUZBSSA-N 417.454 2.165 50 40 HEGB O=C(Nc1nc(O)c2c(ncn2CCI)n1)c1ccccc1 16957470 RLLIWRSGOAQQJP-UHFFFAOYSA-N 409.187 2.219 50 40 HEGB O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)c1cc2c(s1)CCCCC2 24473093 YEPNEWKMUOMYTF-UHFFFAOYSA-N 421.544 2.147 50 40 HEGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(O)cc3)CC2)c1 59953155 DUGROACNKQSNNQ-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccc(Cl)c(Cl)c1 408590617 KACVFWFLLLCYPR-UHFFFAOYSA-N 418.302 2.496 50 40 HEGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(OC)c2O)s1 408730534 HNMRWYSOEINQAY-YBFXNURJSA-N 405.480 2.464 50 40 HEGB O=C(CSc1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408861413 AALQKCIAWRPRRU-HYARGMPZSA-N 413.499 2.167 50 40 HEGB COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1OC 840333 NSQHJCGKJXYZGJ-UHFFFAOYSA-N 409.236 2.306 50 40 HEGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(I)c2)cc1 3083913 XAELKAXGYXGFHL-RGVLZGJSSA-N 421.238 2.366 50 40 HEGB Cc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1 3352241 LAHOYEVSKBCOCC-UHFFFAOYSA-N 419.478 2.384 50 40 HEGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCCN1C(=O)c2ccccc2C1=O 3547506 DTUAFZKBDOUAHV-UHFFFAOYSA-N 415.833 2.186 50 40 HEGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 19955389 UZVAWCZIKNCASU-CIAFOILYSA-N 417.487 2.145 50 40 HEGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2)n1 6315020 BQKBUDUKYJKDNH-UHFFFAOYSA-N 402.458 2.380 50 40 HEGB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NNC(=O)c2ccccc2)C(C)C)c1 14199403 RSPJPNJRTVXXAT-UHFFFAOYSA-N 403.504 2.164 50 40 HEGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc2)cc1 58873358 SRZMQEJKXIFIES-YDZHTSKRSA-N 410.474 2.377 50 40 HEGB Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1Cl 8414178 JLVQRZNUPWONIB-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB CC(C)C(=O)NNS(=O)(=O)c1cc(Br)ccc1Br 14245494 AZEDMIITYACODZ-UHFFFAOYSA-N 400.092 2.177 50 40 HEGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 15227436 SQUVQCWXMPAGNG-YDZHTSKRSA-N 405.410 2.480 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1 20207909 USPGPNJIDKFZJA-KGENOOAVSA-N 401.488 2.476 50 40 HEGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)COc3ccc(Cl)cc3)C2=O)c(C)c1 100572087 BTRWQORMWPEZGM-INIZCTEOSA-N 401.850 2.289 50 40 HEGB NNC(=O)[C@H](NC(=O)CC1c2ccccc2-c2ccccc21)[C@H](O)c1ccccc1 5489460 AWKYKUIXIWUJKN-DHIUTWEWSA-N 401.466 2.397 50 40 HEGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1c[nH]c2ccccc12 6560150 QUAAGCHSRZNTJP-UHFFFAOYSA-N 413.503 2.163 50 40 HEGB O=C(NNC(=O)c1ccc(O)nn1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 21289754 BLYNOEQXOVPMHK-UHFFFAOYSA-N 420.454 2.426 50 40 HEGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1)c1ccccc1 59959662 QQBLKBPTQBGTTF-HUSFYUSLSA-N 424.501 2.308 50 40 HEGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(N)=O 408830713 OOUOVRPFNLWCFB-UITAMQMPSA-N 407.213 2.234 50 40 HEGB CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCC(=O)O)cc1 3666046 AZZYNEFSVBXZCX-WYMPLXKRSA-N 411.458 2.328 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 20211677 LMTARDIBFLMGAZ-FYJGNVAPSA-N 405.451 2.307 50 40 HEGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 24799074 NUANQRRTCNSLMR-MGPUTAFESA-N 405.520 2.099 50 40 HEGB COc1cccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c1 408762869 MSANXEXZGQSOQU-IOVUBPJKSA-N 403.504 2.457 50 40 HEGB COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NC(C)C)cc1OC 408769650 YHZFBTRQGDTLIW-XGICHPGQSA-N 411.252 2.441 50 40 HEGB O=C(COC(=O)CCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1Cl 8416290 BEWKTPKENVLQBF-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2Cl)n1 28287121 UHIPMTDJTCKPQN-UHFFFAOYSA-N 417.274 2.042 50 40 HEGB O=C(N/N=C/c1cccc(O)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408881632 LJJOKWLETJICFH-XNHPLOEXSA-N 407.879 2.349 50 40 HEGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3OC)c(=O)c(C#N)c2C)cc1 409054806 BRKKATNCADTNFY-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1O[C@H](C)C(=O)O 409237511 UYRFIQIEJUISPA-PCQWDSEFSA-N 418.475 2.196 50 40 HEGB N#Cc1ccnc(Nc2nc([C@@H]3CCCN3Cc3cccc(B(O)O)c3)cs2)c1 585295326 VEHRSULSSNWPMX-SFHVURJKSA-N 405.292 2.170 50 40 HEGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 924666 SWDRCSZBILTPBB-UHFFFAOYSA-N 411.487 2.352 50 40 HEGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1OC 6377368 MVZAPSAODPFJGO-CIAFOILYSA-N 419.503 2.256 50 40 HEGB COc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc(OC)c1Br 12909967 JLDZONLGNQREQI-UHFFFAOYSA-N 423.219 2.270 50 40 HEGB C[C@@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 30691420 FJXOGVLKCZQRDN-PHCHRAKRSA-N 408.922 2.021 50 40 HEGB fda CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1Br)C1CCCCC1 108262831 KVEKYIZIQBIPSF-WQRHYEAKSA-N 416.341 2.494 50 40 HEGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)[C@@H]1COc2ccccc2O1 408830986 UHKICGUGRGLNCU-GQBLCDNYSA-N 423.469 2.368 50 40 HEGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1cccc(N(C)C)c1 409236734 HCJUWDCOASVKRA-HAHDFKILSA-N 412.490 2.127 50 40 HEGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1 7939971 HTLLKKKJVHBDMF-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB COc1cccc(N/C=C2\C(=O)N(CCCN3CCCC3=O)C(=O)C(C#N)=C2C)c1 9423684 KSTDPSNDZHKOHB-RGEXLXHISA-N 408.458 2.212 50 40 HEGB O=C(COc1ccc2ccccc2c1)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 12801014 ZJKBVFKBJPDCLD-UHFFFAOYSA-N 401.400 2.137 50 40 HEGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)C(=O)N1CCCCC1 100059498 CSPUERUBAUBSRJ-UDWIEESQSA-N 409.284 2.282 50 40 HEGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)c(OC)c1 408772913 NFFRDQIJTZBKQK-XSFVSMFZSA-N 405.476 2.010 50 40 HEGB CCCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1OCC 6431601 FYGQYJXYPMYSRE-KGENOOAVSA-N 419.503 2.303 50 40 HEGB CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 9509831 ZUKIGGNPAMLSEP-UHFFFAOYSA-N 422.463 2.073 50 40 HEGB O=C(N/N=C/c1ccncc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59921831 AQVSSDZERDHBJU-FYJGNVAPSA-N 406.895 2.286 50 40 HEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc2c(c1)OCO2 825494 XRKKAGWWTZATTL-KEBDBYFISA-N 409.427 2.212 50 40 HEGB CCN(CC)C[C@H](C(=O)Nc1c(C)cccc1C)/C(C)=N/NC(=O)C[N+](C)(C)C 5807633 RPMYPUJLESTHHA-YJZSVRAESA-O 404.579 2.398 50 40 HEGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)cc1 6841386 SXLBIRDBXPMHRJ-ZMOGYAJESA-N 410.474 2.235 50 40 HEGB O=C(NNC(=O)c1ccccc1F)c1ccc(CS(=O)(=O)c2ccccc2)o1 7273315 OHIPUMYGCNCVPX-UHFFFAOYSA-N 402.403 2.467 50 40 HEGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 8159104 NPOCWLJPKARESE-HOTGVXAUSA-N 401.488 2.062 50 40 HEGB CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1 18767607 QAZGYOUNWRFOJK-UHFFFAOYSA-N 420.447 2.121 50 40 HEGB COc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 100097148 JJKVJCOZGYZCDV-CQSZACIVSA-N 407.348 2.281 50 40 HEGB Cc1cc(NCC(=O)N/N=C/c2cn(C)nc2C)ccc1I 1081786 INAQSBDFLOMZFB-CNHKJKLMSA-N 411.247 2.204 50 40 HEGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(=O)Nc1ccccc1C 4697818 UVONQAPZHJEBEL-ZVHZXABRSA-N 410.430 2.226 50 40 HEGB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc(O)cc1 9742673 WWDAJQLOCRQGRC-MRXNPFEDSA-N 421.906 2.358 50 40 HEGB CC1(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)OCCO1 28214492 WJYSPVDBAKSBIQ-YDZHTSKRSA-N 415.421 2.446 50 40 HEGB Cc1cc2c(c(=O)o1)[C@]1(C(=O)Nc3ccc(C)c(Br)c31)C(C#N)=C(N)O2 969938 JPYJNDSGAPNJFO-SFHVURJKSA-N 414.215 2.344 50 40 HEGB CCOc1ccc([C@@H]2C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)cc1OCC 2268361 PCMIXKOJIHGFFI-GOSISDBHSA-N 416.430 2.282 50 40 HEGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1cccnc1 101452112 MVPVZFPXTKMYSM-LJQANCHMSA-N 402.410 2.440 50 40 HEGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c([N+](=O)[O-])cc1OC 409219127 NLKVSGJJGLSLNV-GIJQJNRQSA-N 404.335 2.293 50 40 HEGB COc1ccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 12527249 JFLBQMMDROAHJC-UHFFFAOYSA-N 419.507 2.091 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 408740259 FEYYAPVDUADFMB-DGURAOSJSA-N 400.847 2.120 50 40 HEGB N#CC1=C(N)n2c(s/c(=C\c3cccc(F)c3)c2=O)=C(C#N)[C@@H]1c1cccc(F)c1 706149 AQHHEOWNVBOGQG-JSAJWXMXSA-N 418.428 2.139 50 40 HEGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 8088340 BFCSFFXZAMXFCT-AFUMVMLFSA-N 424.501 2.489 50 40 HEGB Cc1sc2nc(CC(=O)NNC(=O)CCC(=O)c3cccs3)[nH]c(=O)c2c1C 9910527 SOYSZJDJHYXLNQ-UHFFFAOYSA-N 418.500 2.016 50 40 HEGB CCOc1c(Cl)cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OC 13001764 JVZRNXLXOKCTTL-MRXNPFEDSA-N 406.822 2.348 50 40 HEGB O=C(COC(=O)CCCC(=O)NC1CCCCC1)NNC(=O)c1ccccc1Cl 408647716 VEFBQLKSAORQLB-UHFFFAOYSA-N 423.897 2.263 50 40 HEGB O=C(NNS(=O)(=O)c1ccc(F)cc1F)[C@@H]1Cc2c(ccc3ccccc23)O1 1394591 DCVHYNSHLQSRSO-KRWDZBQOSA-N 404.394 2.431 50 40 HEGB C=C(C)CNC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 5849354 KFXSXDZSXMJARE-UHFFFAOYSA-N 410.546 2.234 50 40 HEGB COc1ccc(CC(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)cc1OC 6389156 XTCDMKHKNYJPAY-ZMOGYAJESA-N 408.458 2.227 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1 6953894 IOXHJQDDBAGNDC-WYMPLXKRSA-N 410.474 2.216 50 40 HEGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(C)c2ccccc23)cc1 57510534 XHFAAELFFPRFJW-KRWDZBQOSA-N 423.450 2.429 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409153360 HUURWRHXCYGNFU-LSFURLLWSA-N 423.256 2.207 50 40 HEGB O=C(NNc1cc(F)cc(F)c1F)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1639623372 DPOVFQFFABJABI-LBPRGKRZSA-N 407.348 2.371 50 40 HEGB C[C@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1(Br)Br 1738001 RLUVOTYROZAWBL-LLVKDONJSA-N 421.045 2.252 50 40 HEGB CCc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc1 2520708 VWYDAOSAJKMQPO-WSDLNYQXSA-N 402.418 2.226 50 40 HEGB COc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 5093699 GAPZBGUXIHHTEC-UHFFFAOYSA-N 404.220 2.309 50 40 HEGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 19954245 AEVBMAIZYQUUPD-RGVLZGJSSA-N 423.878 2.182 50 40 HEGB CC(C)c1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(C)(=O)=O)cc1 408783464 PJKIXRCBADUEHK-UHFFFAOYSA-N 414.487 2.049 50 40 HEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3O)c(C)c(C#N)c2=O)cc1C 409062671 YTQAPUCBFSZSMC-MSXFZWOLSA-N 401.426 2.499 50 40 HEGB Cn1c(COc2ccccc2)nnc1SCC(=O)NNC(=O)C1CCCCC1 881561 SRRCQEZFDWONQT-UHFFFAOYSA-N 403.508 2.214 50 40 HEGB CC(C)(C(=O)NCCBr)S(=O)(=O)c1ccc(C(F)(F)F)cn1 6500217 QRLQFQBKFBEFLW-UHFFFAOYSA-N 403.220 2.164 50 40 HEGB O=C(NNC(=O)c1cccs1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 6510393 QOECRUANPIGVAJ-UHFFFAOYSA-N 415.496 2.301 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 6865831 BDBUZXJJDUPMPC-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB O=C(NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2c(s1)CCC2 12762641 XOFKAXWQFQUJAV-UHFFFAOYSA-N 401.853 2.422 50 40 HEGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)OC3)c2ccccc21 20725431 IUYNENUYSIBLBP-JOCHJYFZSA-N 402.385 2.065 50 40 HEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 58884799 OOFIJTXLLFDBFO-DJKKODMXSA-N 406.782 2.354 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)ccc1O 408788771 GPWGBOJCBOHNSF-CIAFOILYSA-N 419.503 2.324 50 40 HEGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc(O)c1)OCc1ccccc1 408991224 PVXKZULISBDSPY-CCYMUMOUSA-N 407.430 2.103 50 40 HEGB COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1O[C@@H](C)C(=O)O 409237513 UYRFIQIEJUISPA-QOJWJBQSSA-N 418.475 2.196 50 40 HEGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)c1 409259803 FSKOHNYBEFGPSV-FSJBWODESA-N 408.458 2.050 50 40 HEGB COc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1 4121392 WQUHXTZWHNJAHZ-UHFFFAOYSA-N 406.489 2.312 50 40 HEGB Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1 6868081 PHQBQQGIZRXVHR-FSJBWODESA-N 410.474 2.296 50 40 HEGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)oc2ccccc12 21632653 YBQJBTHXJVODEQ-UHFFFAOYSA-N 413.455 2.491 50 40 HEGB Cc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C)cc2)C=3C#N)cc1 2208030 LOUOEDDCFYHESO-LYCWOWIHSA-N 410.502 2.478 50 40 HEGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3C[C@H]3C)cc2)cc1 12604932 YJZTYQABPLNWMV-ACJLOTCBSA-N 417.487 2.303 50 40 HEGB O=C(OCC1=C[C@H](Cl)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 35464200 QUOOWFYEPMIYFF-WJFTUGDTSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Br)cc1 408615756 RTEJEICOWLJTOL-LBPRGKRZSA-N 420.238 2.402 50 40 HEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(I)o1 704520 FPDYWKFUMCEZKF-VIZOYTHASA-N 415.143 2.322 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 59434047 HBKSRIUWVNWYAS-JJIBRWJFSA-N 422.485 2.059 50 40 HEGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 3088994 LIZXBCMLQSKHRK-UFWORHAWSA-N 420.219 2.275 50 40 HEGB CC(=O)Nc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)o2)cc1 7604846 JVWGUXLYBUIEAE-UHFFFAOYSA-N 411.443 2.248 50 40 HEGB CSc1ccc(N2C[C@@H](C(=O)NNC(=O)CNc3ccc(C)cc3)CC2=O)cc1 12546177 RZXRNBBKJOBPNA-HNNXBMFYSA-N 412.515 2.329 50 40 HEGB Cc1cccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 12799814 ZAANLGMBAKFYNM-UHFFFAOYSA-N 413.441 2.167 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 408786254 NGHKKXGNJMKUDG-CIAFOILYSA-N 419.503 2.237 50 40 HEGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408906577 HRSASSFGINHKOP-NFECSFHCSA-N 404.448 2.290 50 40 HEGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2247431 PIWJHLLCZACTNG-IFXJQAMLSA-N 407.426 2.283 50 40 HEGB N#CCC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(Br)c1 16383276 MXZZUUGBBNCBMH-FZSIALSZSA-N 419.029 2.039 50 40 HEGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 58912162 PQUGXCPNWAKQIW-RIDKEVFESA-N 402.882 2.493 50 40 HEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccccc1F 59434094 JLZUEHQBGIRLIR-FBCYGCLPSA-N 408.183 2.406 50 40 HEGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CC(C)(C)CC2=O 4517062 YSZFSQZCMHKVFL-QHCPKHFHSA-N 421.453 2.059 50 40 HEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1C 409152254 DTEGNHQOPCVOMQ-ZVHZXABRSA-N 422.485 2.393 50 40 HEGB CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2cc(Br)ccc21 664274 ZCGVLWZRTGJGCK-SFHVURJKSA-N 400.232 2.394 50 40 HEGB Cc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C)cc2)C=3C#N)cc1 2208028 LOUOEDDCFYHESO-IOAQBMTJSA-N 410.502 2.478 50 40 HEGB O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 13980265 OZYKFBZATWZRDF-UHFFFAOYSA-N 419.191 2.209 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1 19953964 WVOXJBVOZMZEQA-WOJGMQOQSA-N 410.293 2.365 50 40 HEGB C[C@@H](CCC(=O)ON1C(=O)CCC1=O)SSc1ccncc1C(=O)N(C)C 514251781 AFGUQHOCEUTKEQ-NSHDSACASA-N 411.505 2.300 50 40 HEGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc(=O)[nH]c3)cc2)cc1 16043746 HSKPAUDBNFBJTR-UHFFFAOYSA-N 407.426 2.427 50 40 HEGB CN(CC(=O)N/N=C/c1cccc(O)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 16187050 TWDGKHMJAWLIRB-DJKKODMXSA-N 416.286 2.470 50 40 HEGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1)S(C)(=O)=O 20210551 ONMIDTDRIRMAIL-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2cc3ccccc3cc2O)c2ccccc21 100207710 MFLRVRFBWUAKLF-BSYVCWPDSA-N 403.394 2.199 50 40 HEGB O=C(N[C@@H]1COB(c2ccccc2)O[C@@H]1c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 195755503 ATTCHQYZEYDIHQ-HUUCEWRRSA-N 409.034 2.367 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1cccc(Cl)c1 408876832 RBROLIAHOLOGTN-RGVLZGJSSA-N 423.878 2.028 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 409256902 QOISOJDPQFNNLY-CHOFVFFHSA-N 414.437 2.208 50 40 HEGB Cc1nn(CCC(=O)NNC(=S)NC2CCCCC2)c(C)c1Br 655555 JYIWSQCHAGIJCW-UHFFFAOYSA-N 402.362 2.481 50 40 HEGB COc1cc(OC)cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 5859784 IBPMMGBYQAMKAC-KRWDZBQOSA-N 417.849 2.232 50 40 HEGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1 8571364 RDJSOTYPEGHCIQ-ZMOGYAJESA-N 410.474 2.235 50 40 HEGB CCOc1ccc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OC 59427770 ZHYRJCWMZHWFEJ-FOKLQQMPSA-N 412.446 2.345 50 40 HEGB COc1ccc(CNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 98211037 LMXVVHLOSGYCLK-UHFFFAOYSA-N 406.483 2.173 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 408781841 FEEVHCZLOBGRRR-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB Cc1cccc(C(=O)NNC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)c1 24833140 AHLVGVZXRAJEHH-QGZVFWFLSA-N 408.502 2.495 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1Br 408614668 GBQVWYPWNVEITI-NSHDSACASA-N 420.238 2.402 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1OC 408781912 FQCYFGKZAWTLDE-CIAFOILYSA-N 419.503 2.237 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c(OC)c1 408927060 XRZYXJQGVIKPOU-ZXOFLVKFSA-N 405.476 2.009 50 40 HEGB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OCC(=O)NN 1447933 WDPHDTSDEIDVQK-UHFFFAOYSA-N 410.426 2.471 50 40 HEGB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1 7939991 YWZIKEMOEKJFIN-UHFFFAOYSA-N 411.458 2.362 50 40 HEGB O=C(CCNC(=O)c1ccccc1)NNC(=O)Cc1nc(-c2ccccc2)cs1 10599713 ZAJZDKPUJMOOIY-UHFFFAOYSA-N 408.483 2.320 50 40 HEGB CCOc1cc(C#N)ccc1OCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 16231914 XFIYNBJGGOJSSG-UHFFFAOYSA-N 405.414 2.187 50 40 HEGB Cc1ccc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl 12614947 DCDDBKGKARQXHU-UHFFFAOYSA-N 423.922 2.293 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 19954510 KTDUBJMKVKPTBK-RCCKNPSSSA-N 419.503 2.319 50 40 HEGB CN1CCC(=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 408725735 HDXXHMABTVQINU-UHFFFAOYSA-N 414.531 2.464 50 40 HEGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c(C#N)c2C)cc1 409061011 BKFASKFBOJMQCN-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB COc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1O 1058964 BAEZAYUIJYYADV-CAOOACKPSA-N 412.183 2.475 50 40 HEGB CNS(=O)(=O)c1ccccc1SSc1ccccc1S(=O)(=O)NC 2144104 ZUGOZVUVFJKPKL-UHFFFAOYSA-N 404.560 2.302 50 40 HEGB CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)cc1 89991087 ZLOPBTMYVGGRKA-UHFFFAOYSA-N 419.507 2.315 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 59516223 KZJFOUQZCRSCNA-LPYMAVHISA-N 411.414 2.120 50 40 HEGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OC(C)=O 408753546 AUTAEYGXRYPQPE-NTUHNPAUSA-N 409.236 2.149 50 40 HEGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)c1 409254412 XGHLYVYPGAWJKG-FSJBWODESA-N 408.458 2.050 50 40 HEGB O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)NNC(=O)c1ccccc1O 2700432 BGIWZDDLGBLZGT-UVTDQMKNSA-N 417.468 2.038 50 40 HEGB C[C@H](NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1)c1ccccc1 7939985 YLCAQSUOVLPMEL-INIZCTEOSA-N 411.458 2.039 50 40 HEGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C#N)[C@H]1c1ccccc1F 705611 ZARWXJLBYZTFOO-MAYQHFBPSA-N 418.428 2.139 50 40 HEGB O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 3378694 DGENACDDCCGABK-UHFFFAOYSA-N 423.436 2.475 50 40 HEGB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)c1OC 5956635 DNRVDUVKNOJDLE-NCDWJDPGSA-N 401.419 2.092 50 40 HEGB O=C(CSc1nc2ccccc2o1)NNC(=O)Cc1cnn(-c2ccccc2)c1 12933939 WAOMTRXSHRYPDK-UHFFFAOYSA-N 407.455 2.496 50 40 HEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(=O)O)CC2)c1 1103070 ZIKSAXPWWIAGKH-OEAKJJBVSA-N 409.442 2.396 50 40 HEGB CCCc1c(C(=O)N/N=C/c2cccc(Cl)c2Cl)nnn1-c1nonc1N 2447455 HCRRHIREKMOXHJ-FBCYGCLPSA-N 409.237 2.256 50 40 HEGB O=C(COCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1cc2ccccc2[nH]1 4681034 ACPZLJWPRDOJKY-UHFFFAOYSA-N 400.822 2.238 50 40 HEGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)c(C)c1 8369145 JNCSFPCJPQHLQF-FSJBWODESA-N 410.474 2.296 50 40 HEGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)cc1 19954857 ZZGDWUHQRVLJRX-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB COc1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc1Br 30791494 SBEAMUXIXWFNTP-AOSDKKKWSA-N 416.275 2.438 50 40 HEGB Cc1nn(CC(=O)N/N=C/c2ccn(CC(F)(F)F)n2)c(C)c1Br 252493144 NACLMAUTVNVNIG-BLLMUTORSA-N 407.194 2.172 50 40 HEGB Cc1ccccc1NCc1nnc(SCC(=O)N/N=C/c2cn(C)nc2C)n1C 672901 AANVURQVPYZLLM-ZVBGSRNCSA-N 412.523 2.020 50 40 HEGB O=C(O)[C@H]1C[C@@H](Br)[C@H](Br)C[C@H]1C(=O)NCc1cccnc1 6445190 YEIZWXHGDGESIO-WRWGMCAJSA-N 420.101 2.336 50 40 HEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3ccccc3O)c3sc(=O)[nH]c3S[C@H]12 100871994 MEEZXDNYDCPARC-HCWRQXKJSA-N 401.465 2.330 50 40 HEGB COc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 673680 QGVCGLPHRJZCCL-UHFFFAOYSA-N 424.207 2.206 50 40 HEGB CC(C)NC(=S)NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 15876571 OMCHSANHZWACDG-GASCZTMLSA-N 406.552 2.372 50 40 HEGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)cc1 19953512 NAXUBLFQHOFSAX-ZXOFLVKFSA-N 405.476 2.009 50 40 HEGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)[C@@H](C)Sc1nc2ccccc2s1 25581808 NUVBROCXJQYZCD-SVXRXWARSA-N 405.465 2.469 50 40 HEGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 408772737 FLJGZSBFSRKWJO-CYVLTUHYSA-N 405.454 2.494 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1)Nc1ccccc1Cl 409267819 WKZCMXMMMAEAMI-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB O=C(N/N=C/c1sc(=O)[nH]c1-[n+]1cccc(Cc2ccccc2)c1)c1ccncc1 13739470 UHJUUOYTWUNCIG-UHFFFAOYSA-O 416.486 2.463 50 40 HEGB O=C1[C@H]2[C@H](C(=O)N1c1nccs1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 102631914 AHPXHHAPHJBUJZ-MVEQLIQHSA-N 406.099 2.425 50 40 HEGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(N2CCOCC2)o1 409016364 RQPVSLGMXZJKFX-YBFXNURJSA-N 408.252 2.408 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409024188 BBJKXWWHYGWNKZ-XSFVSMFZSA-N 418.475 2.464 50 40 HEGB N#Cc1ccnc(Nc2nc([C@H]3CCCN3Cc3ccc(B(O)O)cc3)cs2)c1 585295396 XZYOCSJIWACYEU-GOSISDBHSA-N 405.292 2.170 50 40 HEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OC 6206177 RAKMYMVMYZSRQQ-WSDLNYQXSA-N 413.430 2.359 50 40 HEGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3C[C@@H]3C)cc2)cc1 12604928 YJZTYQABPLNWMV-UGSOOPFHSA-N 417.487 2.303 50 40 HEGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CCN(CC)C[C@H]32)c2ccccc21 19853144 BJNNCZUFVNCTKV-DVECYGJZSA-N 410.481 2.119 50 40 HEGB COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccc(NC(C)=O)cc1 4731380 HLZGYPVZGPOREG-FMIVXFBMSA-N 412.471 2.003 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2c(F)cccc2Cl)cc1 6544386 NMDYILYQRSQCRQ-KEBDBYFISA-N 413.858 2.259 50 40 HEGB O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(NC(=O)c2ccco2)cc1 12854124 ADXNUSDJLOAMQT-UHFFFAOYSA-N 407.382 2.378 50 40 HEGB O=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1 13042041 XMGLIYWDHUSEES-UHFFFAOYSA-N 413.421 2.468 50 40 HEGB CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 59960403 DXUVHOFLRIASLJ-PDESAOGPSA-N 424.501 2.308 50 40 HEGB C[C@H](S[C@@H](C)C(=O)NN=C1CCSCC1)C(=O)NN=C1CCSCC1 4803822 QDXASEPLSKVXGR-RYUDHWBXSA-N 402.611 2.495 50 40 HEGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 58911649 XOYFYHBEYZYAGP-BHGWPJFGSA-N 410.396 2.326 50 40 HEGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 8571335 BZTWPIQZSAYGSZ-ZMOGYAJESA-N 410.474 2.235 50 40 HEGB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1ccccc1C 12871046 LTXJLKPQZYFYOF-KRWDZBQOSA-N 415.515 2.316 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)ccc1O 20060250 ZLHNSTDXKLJRPL-UDWIEESQSA-N 405.476 2.016 50 40 HEGB Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3CCOCC3)c3ccccc32)cc1 2340582 BZCUKQVAHNNAOE-VXPUYCOJSA-N 400.438 2.279 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 5631229 FQDLKPHWPUVJAV-FSJBWODESA-N 414.849 2.110 50 40 HEGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)NCC(C)C)=C2C#N)cc1 6306814 ZNNUIQCFIYTXRU-HNNXBMFYSA-N 401.488 2.317 50 40 HEGB C[C@H](C(=O)NNC(=O)c1ccc(F)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 22090913 AMNWIMUDTAMSQI-OAHLLOKOSA-N 418.900 2.446 50 40 HEGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(Br)cc2)c(=O)c1C#N 98087309 OPZRPVUHUWSTFQ-ZVBGSRNCSA-N 417.263 2.088 50 40 HEGB O=C(CCC(=O)NNC(=O)COc1cccc2ccccc12)NCc1ccccc1 4599333 LXZWWPLQEDCWBA-UHFFFAOYSA-N 405.454 2.463 50 40 HEGB CC(C)n1nc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1=O 13008052 MOJNSSMBDBGNJP-UHFFFAOYSA-N 420.878 2.254 50 40 HEGB CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cc(N)cc([N+](=O)[O-])c2)cc1 14922828 YNTKRHYFYUFRTO-FOKLQQMPSA-N 412.406 2.270 50 40 HEGB Cc1cccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2cccc(C)c2)c1 8396586 FDZFOPLQNWWHAB-UHFFFAOYSA-N 410.474 2.086 50 40 HEGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1Nc1ccccc1C 408709002 WEJLVRHOANCPAF-ZRWQFTNJSA-N 410.474 2.493 50 40 HEGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1 6454156 WKMLMSFSNQCLQI-OAHLLOKOSA-N 403.529 2.339 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 6879475 VBUAHNFSRGBXJU-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB Cc1cccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 25598536 FCUUPYAHWTVCBX-UHFFFAOYSA-N 416.484 2.327 50 40 HEGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(C)(=O)=O 408776094 UCDZUNKMDCDAEE-KEBDBYFISA-N 423.878 2.263 50 40 HEGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)c(O)c1 409391516 JMBJPMPZCPDEMH-DNTJNYDQSA-N 408.794 2.290 50 40 HEGB COc1cc(Br)ccc1OCC(=O)N/N=C1/C(=O)N(C)c2ccccc21 15134349 IWRSCDVVYCWPBA-HEHNFIMWSA-N 418.247 2.333 50 40 HEGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408968075 WHJDDPPKFWSBEU-UUYOSTAYSA-N 412.471 2.211 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 6376296 AGJYMHVHCVFPGU-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 6497042 WFQOLZVKOHWALW-FOKLQQMPSA-N 416.865 2.252 50 40 HEGB C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 253505201 BATUORYJCLTZTR-AKDOOQIZSA-N 422.610 2.354 50 40 HEGB Cc1c(C(=O)N/N=C/c2ccc(I)o2)sc(N)c1C#N 408723794 NZHKPKOUTSKGLW-FZSIALSZSA-N 400.201 2.472 50 40 HEGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)c1 408786714 VAELXKBKQUEATA-FYJGNVAPSA-N 402.520 2.286 50 40 HEGB Cc1cccc(-n2nc(C(=O)N/N=C\c3ccccc3[N+](=O)[O-])c(C)c(C#N)c2=O)c1 409070532 YXHOCUNBYPCKFZ-FMCGGJTJSA-N 416.397 2.393 50 40 HEGB COc1ccc(-n2nc(C(=O)N/N=C\c3cccc(C)c3)c(C)c(C#N)c2=O)cc1 409074655 WHSHATCLAWVOAB-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1 17093011 BEXFJHYYGHUALC-ZHZULCJRSA-N 422.441 2.170 50 40 HEGB Cc1ccc(S(=O)(=O)c2cnc3n(c2=O)C[C@@H](CBr)S3)cc1 28405853 CTITZZKGEYWVFZ-SNVBAGLBSA-N 401.307 2.254 50 40 HEGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OC 58915947 WUNUPDUMZJPDRC-FYJGNVAPSA-N 414.418 2.213 50 40 HEGB NNC(=O)[C@@H](NC(=O)CC1c2ccccc2-c2ccccc21)[C@@H](O)c1ccccc1 5487169 AWKYKUIXIWUJKN-GOTSBHOMSA-N 401.466 2.397 50 40 HEGB O=C(O)[C@H]1C[C@@H](Br)[C@H](Br)C[C@@H]1C(=O)NCc1cccnc1 6445194 YEIZWXHGDGESIO-NNYUYHANSA-N 420.101 2.336 50 40 HEGB Cc1ccc(OCC(=O)NNC(=O)c2ccccc2SCC(=O)NC2CC2)cc1 12754748 MCVQYUQSVIFSQV-UHFFFAOYSA-N 413.499 2.206 50 40 HEGB O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2 14235931 GLISOOAJXULBLD-UHFFFAOYSA-N 403.243 2.388 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC 408914878 YJNZAZPPVGSZOU-HBBMIWKISA-N 419.503 2.399 50 40 HEGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1cnc2ccccc2n1 2758601 ZOMAWCFLTTWTSM-YSURURNPSA-N 418.482 2.430 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 20207972 MYBFEACOHGXPRB-VXLYETTFSA-N 424.866 2.473 50 40 HEGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OC)c2)cc1OCC 409310709 WFSHKMQEABMNIK-FMCGGJTJSA-N 415.446 2.121 50 40 HEGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)[C@@H]1COc2ccccc2O1 2334489 DKHGABQXORNFBN-AVWXOPBPSA-N 422.191 2.353 50 40 HEGB CCn1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c(=O)c2ccc(C)nc21 8315997 YEQYTMSGTZOVKA-UHFFFAOYSA-N 408.458 2.182 50 40 HEGB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(Br)s2)C(C#N)=C(N)O1 8783263 KXRPTPXXJYFSEN-LBPRGKRZSA-N 413.249 2.308 50 40 HEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3ccccc3O)c3sc(=O)[nH]c3S[C@@H]12 100871987 MEEZXDNYDCPARC-DCWPCGSJSA-N 401.465 2.330 50 40 HEGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 6254569 MQTWZAZTWGTYOA-QWHCGFSZSA-N 409.870 2.406 50 40 HEGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1F 12918974 WGZCJGRHRGISSG-UHFFFAOYSA-N 410.652 2.203 50 40 HEGB C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 14233689 PPVCROICITWYOR-UHFFFAOYSA-N 417.531 2.128 50 40 HEGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 58873985 LCZXHAZSBAHASM-OEAKJJBVSA-N 410.474 2.331 50 40 HEGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3Br)C2=O)cc1 100097065 BUCQPBWOZWZGDK-HNNXBMFYSA-N 418.247 2.024 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 409130099 KIQRQTIHYCYSPP-DEDYPNTBSA-N 405.476 2.254 50 40 HEGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1)Nc1cccc(Cl)c1 409262906 GELDSTMWHXCHGV-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 12855778 HJEPACUAEHDZLE-NVXWUHKLSA-N 404.513 2.102 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 409264721 RLYKMXMQWJVVCL-OHHQFBAHSA-N 410.474 2.377 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20211859 MTELZLFJICXBBC-FYJGNVAPSA-N 405.451 2.307 50 40 HEGB CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 58872936 HHTLFXDIVLATGP-FMCGGJTJSA-N 414.437 2.208 50 40 HEGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OC)c1ccc(OC)cc1 59490252 WZQAAEYPCOQHQP-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)cc1 408863545 SPWLMJDIYJUINJ-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB O=C(NNC(=O)c1ccccc1F)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 2617750 VCBYOADSIXZYJN-UHFFFAOYSA-N 424.409 2.278 50 40 HEGB C/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 5025315 AEMDOZXDPPJKLY-FOWTUZBSSA-N 412.833 2.440 50 40 HEGB Cn1cc(Br)cc1C(=O)NN[C@@H](C(=O)N1CCCC1)c1ccccc1 12878353 LXUSMMAZKKJGCB-MRXNPFEDSA-N 405.296 2.386 50 40 HEGB CC(C)NC(=S)NNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 15876572 OMCHSANHZWACDG-HUUCEWRRSA-N 406.552 2.372 50 40 HEGB CCOC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(OCC)cc2)cc1 17087653 POLKGTPLMLTPIS-UHFFFAOYSA-N 407.448 2.277 50 40 HEGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C 104338356 GCZPNSRLTLQVLF-KVNDZABWSA-N 422.279 2.072 50 40 HEGB N#Cc1ccc(Nc2cccc(C3CCN(Cc4ccc(B(O)O)cc4)CC3)n2)cn1 585293739 LNVVPKYEANIXTF-UHFFFAOYSA-N 413.290 2.151 50 40 HEGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(C(C)C)cc1 12921764 QTIOXUTWIRTDHR-UHFFFAOYSA-N 424.548 2.035 50 40 HEGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 19954780 XYTAVZTZTYKKHM-XMHGGMMESA-N 404.448 2.210 50 40 HEGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 408769235 PPOGWHCUPBSCHV-VXLYETTFSA-N 424.866 2.473 50 40 HEGB CSc1ccc(CN(C)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 9789930 JECDJUUBBPJXQH-UHFFFAOYSA-N 421.548 2.188 50 40 HEGB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c(C)c1 12879634 UKGVVXXSNXRLMZ-UHFFFAOYSA-N 400.298 2.336 50 40 HEGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(OC)c2)cc1 408799315 YWGWHICXAPTBQO-OQLLNIDSSA-N 410.382 2.491 50 40 HEGB Cc1cc2c(c(=O)n1CCO)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 4851035 JRAFAHBNSAMGGM-OAHLLOKOSA-N 402.248 2.130 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 6879458 DSNAFAZEBDBJAZ-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)c1OC 30834257 PPMQUXMTGQAYPT-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccccc1Cl 408871534 HBURXXKHGLMIPS-IMQYADFFSA-N 402.882 2.493 50 40 HEGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@@]12C(=O)Nc1ccc(F)cc12)OCO4 5355016 AWTVHQPMVBKGPN-QFIPXVFZSA-N 402.385 2.351 50 40 HEGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc2c(cc1Br)OCO2 59463271 DAEIYTOJCANYKH-CGOBSMCZSA-N 420.219 2.469 50 40 HEGB Cc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)n(C)n1 1086891 GSXOKJZAMXJNJW-VXLYETTFSA-N 401.268 2.500 50 40 HEGB O=C(O)COc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)cc1 33361495 WFQFTSMCNJDBAC-OCKHKDLRSA-N 407.220 2.442 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 409007193 UZYWHOFLNHHLMW-BUVRLJJBSA-N 423.469 2.484 50 40 HEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)c(C)c(C#N)c2=O)cc1 409073242 GJASKIGTUZNATO-FMCGGJTJSA-N 416.397 2.393 50 40 HEGB CC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)COc2ccccc2F)cc1 6508546 DTUBFJCKXUADDV-UHFFFAOYSA-N 415.465 2.470 50 40 HEGB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 25386497 YKYJVXCNKGMECX-ISVAXAHUSA-N 407.323 2.316 50 40 HEGB CCNC(=S)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 3227992 OADWBROSCQXXMZ-UHFFFAOYSA-N 406.533 2.233 50 40 HEGB O=C(CNC(=O)c1ccc(Br)cc1)N/N=C/c1ccc2c(c1)OCO2 4613786 WZKWLLAMEFGTRC-DNTJNYDQSA-N 404.220 2.058 50 40 HEGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 5704330 AMBFRQLMQMYHQX-WDEREUQCSA-N 403.435 2.487 50 40 HEGB CN(CC(=O)N/N=C/c1cccc(Br)c1)S(=O)(=O)c1ccccc1 6544477 IXKSATMWICWGAB-WOJGMQOQSA-N 410.293 2.220 50 40 HEGB COc1cc(/C=C/C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1OC(F)F 6649772 LTVUYPZUEHXEED-XVNBXDOJSA-N 406.341 2.500 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 8042716 AOXVVSZLTSXDJO-UDWIEESQSA-N 408.911 2.177 50 40 HEGB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc(O)cc1 9742663 WWDAJQLOCRQGRC-INIZCTEOSA-N 421.906 2.358 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1cccc(C(F)(F)F)c1 20210961 JZOMZRXHYQHYMT-UFFVCSGVSA-N 400.382 2.017 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 409154519 OVPNSCRFZMVCOF-LSFURLLWSA-N 423.256 2.207 50 40 HEGB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)c1ccccc1 8290389 WJSVTPYRXZVTKV-UHFFFAOYSA-N 415.515 2.255 50 40 HEGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1C 8369185 BWBUCCJLOZBDSX-AUEPDCJTSA-N 416.865 2.170 50 40 HEGB O=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)[C@@H]1COc2ccccc2O1 12907802 YWUXOCFPVZQKND-VIFPVBQESA-N 409.272 2.204 50 40 HEGB COc1cc(/C=C/C(=O)NNC(=O)COc2ccc(F)cc2)cc(OC)c1OC 13001005 ZLVOHAXKUINTGO-RUDMXATFSA-N 404.394 2.091 50 40 HEGB CCCn1nc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)c2ccccc2c1=O 13004973 JHYZXRYEACQSHP-UHFFFAOYSA-N 420.878 2.083 50 40 HEGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6323069 JLVFFUDGFZKPAN-HNNXBMFYSA-N 401.488 2.461 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c(OC)c1 408781404 SBSGTNXTEPCPPX-CIAFOILYSA-N 419.503 2.237 50 40 HEGB N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)N1CCOCC1 2441194 NLSQJVBIOURXES-FYWRMAATSA-N 420.400 2.392 50 40 HEGB CCCn1c(O)c(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(=O)c2ccccc21 5739092 WTDPMDNKUAKDQW-UHFFFAOYSA-N 415.471 2.049 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 6430259 PTUSNDDJCUWABT-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 6852684 CAWNOWMVKXEJQQ-HFITWMCCSA-N 417.487 2.153 50 40 HEGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc([N+](=O)[O-])ccc1F 8380582 UHYLEVIXOPUCAO-UFWORHAWSA-N 403.761 2.191 50 40 HEGB Cc1nonc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O 10490734 CRYFXLCVNIQZDC-LNKIKWGQSA-N 404.018 2.373 50 40 HEGB O=C(NCc1ccccc1CN1CCOCC1)NNC(=O)c1ccc(Cl)cc1 24527925 LKSQWWATYBGTJA-UHFFFAOYSA-N 402.882 2.316 50 40 HEGB CCc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 39986720 DPTQSWGUEFDHKK-BKUYFWCQSA-N 403.504 2.337 50 40 HEGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC 409365336 QOQDULFTXXPZDZ-RGVLZGJSSA-N 401.375 2.076 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccccc2Cl)c1 12766514 CJUMUEHEMBILNT-UHFFFAOYSA-N 423.922 2.374 50 40 HEGB O=C(NNC(=O)c1ccccc1C(F)(F)F)c1csc(N2CCOCC2)n1 12802718 QHWYDFRZCAQUBR-UHFFFAOYSA-N 400.382 2.073 50 40 HEGB CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 59960425 PCGDIZZIPYHDMP-OYKKKHCWSA-N 416.522 2.127 50 40 HEGB Cc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408677455 BXOYHOBLKUYGHQ-ZZIDHEKVSA-N 408.248 2.048 50 40 HEGB O=C(N/N=C\[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc2ccccc2o1 408859104 WNCSZHNODWZANF-LRXPYSHVSA-N 406.423 2.213 50 40 HEGB COc1cccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c1O[C@H](C)C(=O)O 409252212 WSFRIXNAUXHSBJ-JCRYTKJOSA-N 415.446 2.142 50 40 HEGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 409260736 VNRISSDHBLPQEJ-ZVHZXABRSA-N 422.485 2.393 50 40 HEGB Cc1cccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 857155 RADGCEDQONHTFI-HNNXBMFYSA-N 402.248 2.324 50 40 HEGB COc1cc(C(=O)N/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC 5334506 QWIXDYWEBYYIOY-RGVLZGJSSA-N 402.407 2.451 50 40 HEGB Cc1ccccc1OCCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 8020557 AMHLKZNIVBGGMX-UHFFFAOYSA-N 410.518 2.124 50 40 HEGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)CC2=O)cc1 17518922 HGCRZKMIOBJASI-SFHVURJKSA-N 417.469 2.195 50 40 HEGB O=C(NNS(=O)(=O)c1ccc(F)cc1Cl)c1cncn1-c1ccc(F)cc1 12535780 SQUNECBHNJVTJF-UHFFFAOYSA-N 412.805 2.427 50 40 HEGB COc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1Cn1cc([N+](=O)[O-])cn1 32573561 MISUPXZGEKZHDQ-WNFQYIGGSA-N 423.385 2.341 50 40 HEGB COCc1c(Br)c(C)n(CC(=O)NN=C2CCCCC2)c(=O)c1C#N 6200324 NAWJWLISLBITII-UHFFFAOYSA-N 409.284 2.374 50 40 HEGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccn1)c1cccc(Oc2ccccc2)c1 8198286 OXMCFDLZVVDQRP-IBGZPJMESA-N 419.441 2.435 50 40 HEGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)CC1 13154487 GUYMOPXWLZRBRY-MOSHPQCFSA-N 412.406 2.019 50 40 HEGB O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(I)c(O)c1 32116413 TWMZDVZAVNTQFF-UHFFFAOYSA-N 407.167 2.083 50 40 HEGB COc1cc(/C=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 36077411 BICNKGTVNTWPHG-YVNNLAQVSA-N 405.838 2.246 50 40 HEGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCCOC)c2C)cc1 58914019 YSTTYWHFQUEKEL-IWIPYMOSSA-N 414.506 2.486 50 40 HEGB Cc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1 408648485 YMGGYYJTFQTJCZ-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3C)c(=O)c(C#N)c2C)cc1 409068069 KAQMPZONKXEURT-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NNC(=O)c1ccccc1Cl 2389489 NHMFWUJISWMFHD-LCYFTJDESA-N 419.224 2.395 50 40 HEGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2C(F)(F)F)c1 14199814 LXPBPVBPKZFDJG-UHFFFAOYSA-N 415.393 2.031 50 40 HEGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 107145771 NXBOQLZKIFANJU-FWVVFLIFSA-N 417.531 2.416 50 40 HEGB CCCOc1ccc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 5562051 DNVCZFNWWJNYSA-GYXHFJGISA-N 414.483 2.255 50 40 HEGB CC(C)c1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(=O)NC2=S)cc1 15304242 PHPXTASWTZTZAR-WJDWOHSUSA-N 424.482 2.082 50 40 HEGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC)cc1)c1ccc(OC)cc1 59490254 VNLGEMCAGSWANG-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB CCc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408678894 DQYRKRNHYDOTCH-HRTQJFGHSA-N 422.275 2.302 50 40 HEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1633106 KLKYLTUVEVYSPX-HZPDHXFCSA-N 402.794 2.389 50 40 HEGB COCCCNC(=O)/C(C#N)=C/c1cc(I)c(O)c(OC)c1 7165312 VWFIMOMESDLPMM-IZZDOVSWSA-N 416.215 2.065 50 40 HEGB NS(=O)(=O)c1ccc(NC(=O)NNc2ccc(F)cc2Br)cc1 12940148 VKNDSAUSBXQIFQ-UHFFFAOYSA-N 403.233 2.384 50 40 HEGB CSc1ccc(C)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 24932928 JZJKELIQYVADEN-UHFFFAOYSA-N 407.517 2.042 50 40 HEGB C[C@@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118923740 BATUORYJCLTZTR-AEALUMOBSA-N 422.610 2.354 50 40 HEGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNC(=O)c2ccccc2)c2ccccc21 408814165 QJIXYOQCGZHGJQ-DHRITJCHSA-N 420.469 2.393 50 40 HEGB COc1cccc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)c1OC 5956642 DNRVDUVKNOJDLE-NFSSXHDISA-N 401.419 2.092 50 40 HEGB Cn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(O)cc1 12496580 ZMYZKTZQWZBJQL-UHFFFAOYSA-N 417.878 2.394 50 40 HEGB Nc1nccnc1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 22738429 HOJBGXYDAXPTLA-UHFFFAOYSA-N 419.470 2.302 50 40 HEGB Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 31971412 UKBFBUMYQMRATI-ZDUSSCGKSA-N 411.849 2.110 50 40 HEGB Cc1ccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1384010 WDJSQZUYLGQRKS-UHFFFAOYSA-N 415.515 2.165 50 40 HEGB CN(C)CN1C(=O)/C(=N\NC(=O)CSc2nc3ccccc3o2)c2ccccc21 13756256 NRWOCFCOKVHHNZ-NKFKGCMQSA-N 409.471 2.306 50 40 HEGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 408999811 SGOIRTVQPLPSDY-BTZNOAQDSA-N 413.390 2.477 50 40 HEGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OCC)c2)ccc1OC 409333859 JZFDOTBCUIQHEI-FMCGGJTJSA-N 415.446 2.121 50 40 HEGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cc1c(F)cccc1Cl 4895510 LDAYXNJDNRRRGT-UHFFFAOYSA-N 418.900 2.381 50 40 HEGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 8159111 NPOCWLJPKARESE-CVEARBPZSA-N 401.488 2.062 50 40 HEGB O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 10124031 QUOWBYZLYZFFQX-UHFFFAOYSA-N 412.759 2.407 50 40 HEGB O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408844759 CYOPDQPIANMERU-YODDIOPGSA-N 423.878 2.055 50 40 HEGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccncc1 100097018 LMGCKSFLYGPPKU-LJQANCHMSA-N 402.410 2.440 50 40 HEGB O=C(NNC(=S)NC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 2690707 QANINOCQQWLTML-UHFFFAOYSA-N 423.248 2.307 50 40 HEGB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NNC(=O)c1cccs1 3449993 DKNMQINSJINLNH-UHFFFAOYSA-N 404.429 2.080 50 40 HEGB COc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(OC)c1 3470159 SDDSJYSKSURWHK-KGENOOAVSA-N 417.487 2.252 50 40 HEGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1 4599868 SPJMOZVMXLENET-KRWDZBQOSA-N 413.386 2.339 50 40 HEGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c1C 12594240 BAENRCJEWZIDMP-UHFFFAOYSA-N 402.432 2.327 50 40 HEGB O=C(NNC(=O)[C@H]1CC=CCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12769081 JOFVUGFMXXWSTJ-KRWDZBQOSA-N 413.499 2.282 50 40 HEGB CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 59960410 DXUVHOFLRIASLJ-SNNLMFDCSA-N 424.501 2.308 50 40 HEGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408756423 RTSGZTMZCRVWHD-UKTHLTGXSA-N 417.399 2.153 50 40 HEGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 6850475 CAWNOWMVKXEJQQ-HBBMIWKISA-N 417.487 2.153 50 40 HEGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)cc1C 6865828 BTORZEKWGKIHKQ-FSJBWODESA-N 410.474 2.296 50 40 HEGB CC(C)c1ccc(CCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 40144454 GECSJRNJVCEUQP-UHFFFAOYSA-N 402.520 2.497 50 40 HEGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc(Br)cc2)n1 408721304 OFJQWQGIJCZZCJ-KEBDBYFISA-N 410.235 2.125 50 40 HEGB COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 4121314 MDSICXHQIBGQAI-UHFFFAOYSA-N 406.489 2.312 50 40 HEGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1 9235474 ZUMVSNBUUFKOPV-KZKMUKRCSA-N 424.457 2.182 50 40 HEGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 22309634 SUJHMEYDTSBRJF-VBCYOLEESA-N 413.474 2.337 50 40 HEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(O)c(OC)c3)CC2)cc1 409004064 AGFBDYWKMDJXGW-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCC(=O)O 6180861 KDDFTTZVGGNUBU-UFWORHAWSA-N 408.208 2.080 50 40 HEGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCc1ccccc1 408609299 QXTKPBJNBSRDIM-BUVRLJJBSA-N 413.474 2.267 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1OC 408772012 ABOKXYKFHAUSJE-CIAFOILYSA-N 419.503 2.237 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 408778093 ASCXAIBXQAXRIU-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB O=C(CCl)OCCN(CCOC(=O)CCl)Cc1coc2ccccc2c1=O 1614067 UWVHRXRMETZEAR-UHFFFAOYSA-N 416.257 2.159 50 40 HEGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccc(C(=O)O)cc1 19861416 FXZXGJRVDRXSND-YDZHTSKRSA-N 414.893 2.306 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408688629 WKEITTXGDDEAJV-YTKNBERCSA-N 408.248 2.048 50 40 HEGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3cccnc3)s2)cc1 4726468 KTUQVEXJKTUTGZ-UHFFFAOYSA-N 415.500 2.091 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Br)c1 408615390 PUSQQDPNPXINRS-CYBMUJFWSA-N 402.248 2.263 50 40 HEGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 408781382 RVHCVDMJILCLKE-SRZZPIQSSA-N 417.487 2.455 50 40 HEGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)cc1OC 5894171 WJPAOTCZIKAQAS-DAFNUICNSA-N 406.442 2.417 50 40 HEGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1Cl 13655816 GMVBVKAVXXEFJU-OJLMPMFISA-N 405.863 2.032 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC 20207344 VZPNOJDYFPLEFW-KGENOOAVSA-N 417.487 2.176 50 40 HEGB O=C(/C=C/c1ccc2c(c1)OCO2)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 5047279 SLOHMZWPCSKOFS-FEPMCFLQSA-N 409.467 2.254 50 40 HEGB O=C(N/N=C1/C(O)=Nc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCCC2)c1 5163516 MUFFMMAYIGDZCD-UHFFFAOYSA-N 416.434 2.346 50 40 HEGB COc1nc(C(Br)Br)c([N+](=O)[O-])c(N2CCOCC2)n1 5519012 FQHBCZIKDRPZSL-UHFFFAOYSA-N 412.038 2.018 50 40 HEGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1 19953858 KJYGCLPHHNBZTF-HFITWMCCSA-N 418.519 2.066 50 40 HEGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NC(C)C)cc2)cc1 58872929 LIASMVNGHONHOI-QRVIBDJDSA-N 410.474 2.377 50 40 HEGB CCOc1cc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1O 408906618 IOABDBDQCXUNKN-ZXOFLVKFSA-N 405.476 2.096 50 40 HEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)c(C)c(C#N)c2=O)cc1 409065223 FDKRZEBZIBVUNK-MSXFZWOLSA-N 415.409 2.183 50 40 HEGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 409185093 SDBYNUQXEKENMW-RCCKNPSSSA-N 417.487 2.073 50 40 HEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 20207538 NDWORTFHLMUFOW-PXLXIMEGSA-N 416.503 2.260 50 40 HEGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)cc1 408906269 DZYUYLCLWSVPBY-HFITWMCCSA-N 419.503 2.399 50 40 HEGB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NNC(=O)c1ccccn1 11763474 SKISTHRPKDNQEG-UHFFFAOYSA-N 401.426 2.472 50 40 HEGB COc1cc(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc(OC)c1OC 14822364 NSKLOTWTBKRLQP-OAHLLOKOSA-N 416.474 2.487 50 40 HEGB COc1cc(C(=O)NNC(=S)NC(C)(C)C)ccc1I 408584999 ACQMDCFOXFSESB-UHFFFAOYSA-N 407.277 2.207 50 40 HEGB O=C(N/N=C/c1ccccc1O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408971733 KMLZNJSZZIQNAG-FYJGNVAPSA-N 405.451 2.082 50 40 HEGB O=C(O)[C@H]1C[C@@H](Br)[C@@H](Br)C[C@H]1C(=O)NCc1cccnc1 6445188 YEIZWXHGDGESIO-NOOOWODRSA-N 420.101 2.336 50 40 HEGB Cc1ccc(-n2nnc3c(N4CCN(C(=O)C(C)(C)CCl)CC4)ncnc32)cc1 11665782 IWDGZAWCKXZMMG-UHFFFAOYSA-N 413.913 2.433 50 40 HEGB O=C(NNS(=O)(=O)c1ccccc1Br)c1cncn1-c1ccccc1 12506724 OXUUYTSPZZTPDV-UHFFFAOYSA-N 421.276 2.258 50 40 HEGB CCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2OC)cc1OC 6429642 XKENHSUUEIFDGU-UHFFFAOYSA-N 404.419 2.195 50 40 HEGB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1ccc(F)cc1 12979096 BWJUHPNTADUPCX-INIZCTEOSA-N 419.478 2.147 50 40 HEGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(Cl)cc1 35155603 ALTRBKOJCXKWJQ-JAIQZWGSSA-N 409.895 2.428 50 40 HEGB COc1cc(OC)cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 102922035 IBPMMGBYQAMKAC-QGZVFWFLSA-N 417.849 2.232 50 40 HEGB CCc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408686849 SKZLCACFAWNPNF-BXLNKUBBSA-N 422.275 2.302 50 40 HEGB Cc1cccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 408908196 VCYHRHKFDHOYHT-YBFXNURJSA-N 404.448 2.128 50 40 HEGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccccc1O 8763314 XBGVBULULXEOKD-MDWZMJQESA-N 419.509 2.116 50 40 HEGB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)NNC(=O)c1ccc([N+](=O)[O-])cc1 15280132 JFIWORNWJALSKR-FMIVXFBMSA-N 420.381 2.161 50 40 HEGB Cc1ccc(SCC(=O)NNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 28029382 DYABXYMVCSLPMV-UHFFFAOYSA-N 411.483 2.311 50 40 HEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 101312316 NWXPMZNYVWKVQH-JYVUULFMSA-N 423.741 2.289 50 40 HEGB COC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3[C@H]2[C@H](Br)[C@@H]3Br)[C@H]1C(=O)OC 254685803 ORAZXYAVSPPWHK-MACVEKMSSA-N 408.086 2.154 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)ccc1O 408785789 BWXZCYBEVIJUDP-CIAFOILYSA-N 419.503 2.324 50 40 HEGB COc1cc(/C=N\NC(=O)c2nn(-c3ccccc3C)c(=O)c(C#N)c2C)ccc1O 409057948 NCNIMZUBHSPRMW-MSXFZWOLSA-N 417.425 2.199 50 40 HEGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 9849626 MJIOZXRXFSSRFD-UHFFFAOYSA-N 420.263 2.174 50 40 HEGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 24799064 NUANQRRTCNSLMR-QRWLVFNGSA-N 405.520 2.099 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)cc2)cc1C 33695010 LFDFVYJFOAMUOO-JAIQZWGSSA-N 409.895 2.428 50 40 HEGB CCCN1C(=O)c2cccc3c(S(=O)(=O)NNC(=O)c4cccnc4)ccc1c23 41125145 VTOUBCDCWFIRMS-UHFFFAOYSA-N 410.455 2.228 50 40 HEGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC)cc1 408611171 QBUBBUZDNIAUGM-FOKLQQMPSA-N 416.865 2.116 50 40 HEGB Cc1cc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 1750134 JMECFFFIOJZFLQ-UHFFFAOYSA-N 407.810 2.470 50 40 HEGB CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 12973742 KIFIKBJDOKGCNI-ZDUSSCGKSA-N 424.548 2.117 50 40 HEGB CCCOc1cccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 40144445 LLLBSRLBMHPTNV-UHFFFAOYSA-N 404.492 2.152 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Br 46642890 SVZUIWNOZKRURE-GFCCVEGCSA-N 402.248 2.263 50 40 HEGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)ccc1OCc1ccccc1 408969191 IVGKPUMQFACHHH-VULFUBBASA-N 418.453 2.436 50 40 HEGB CN1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Cl)cc(Cl)c21 79501462 CMOZQPZXDNCZOY-SFHVURJKSA-N 405.241 2.094 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)Cc1ccccc1 409143074 UJAWQTPKBPAPTA-YBFXNURJSA-N 424.320 2.361 50 40 HEGB O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c1 12928882 XSNOGMPREFWNGK-UHFFFAOYSA-N 400.865 2.212 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC 19954030 OYLQNOIBJSEPFA-XSFVSMFZSA-N 405.476 2.010 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)c(C)c1 408788253 DCCONGWLWBQUDL-FYJGNVAPSA-N 402.520 2.286 50 40 HEGB COc1cc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)ccc1O 409075728 ZRFBDUKIACXWPB-MYKKPKGFSA-N 421.388 2.030 50 40 HEGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)NC[C@H]1CCCO1 409207567 WRMZLZOKEUMPAU-XYSGSMRZSA-N 406.486 2.466 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20493226 BAKWFAIDMVHCFC-UDWIEESQSA-N 408.911 2.322 50 40 HEGB CC(=O)NC1(C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CCCCC1 40151872 KMHGCLXCCFEZLC-UHFFFAOYSA-N 410.474 2.259 50 40 HEGB CCCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2ccccc21 958272 ZVQQNRPAZSUIAN-MOHJPFBDSA-N 423.498 2.352 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 408787305 XANAKQICURALIA-CIAFOILYSA-N 417.487 2.006 50 40 HEGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccccc1 5376067 WQXJHNMKCWAVGL-UKTHLTGXSA-N 403.510 2.411 50 40 HEGB Cc1ncc(CO)c(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c1O 21730062 YCPNJTFRCKKENE-BIMFAAKUSA-N 404.641 2.289 50 40 HEGB Cc1cc(C)nc(NNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1 29066159 JMSWKGDSBFXFDR-UHFFFAOYSA-N 403.508 2.333 50 40 HEGB CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1sc2ccccc2c1Cl 3358834 XGPZOOPTJNDCSS-VIFPVBQESA-N 400.913 2.106 50 40 HEGB CN(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 6625263 TVXHFCQQCNNNTH-VCHYOVAHSA-N 410.839 2.019 50 40 HEGB CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 15664111 KHZGPWFOTXBHQO-UHFFFAOYSA-N 423.433 2.097 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 19953703 PTXZWAQPXQDPDK-HBBMIWKISA-N 419.503 2.399 50 40 HEGB COc1cc(C(=O)NNC(=O)C[C@](O)(c2ccccc2)C2CC2)cc(OC)c1OC 95972714 WBRMVFRGHAXCRA-QFIPXVFZSA-N 414.458 2.161 50 40 HEGB COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 101040835 GJPLRZKYAAGABX-LVWGJNHUSA-N 422.485 2.385 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1C 408680444 GGUGYLNOWQRSBZ-SPGVSREJSA-N 422.275 2.356 50 40 HEGB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccc1 3146458 IVQPNVGWWKFXSA-CQSZACIVSA-N 420.425 2.111 50 40 HEGB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NNC(=S)NCc1ccccc1 7778578 AWQIZMVRDMZXGM-QGZVFWFLSA-N 420.485 2.415 50 40 HEGB N#C/C(=C\c1csnn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 40139674 NCUIKGDENRLYHW-UKTHLTGXSA-N 403.489 2.258 50 40 HEGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 409115108 IKYZIIQVIUVPFE-DEDYPNTBSA-N 405.476 2.254 50 40 HEGB Cc1ccc(S(=O)(=O)NCCC(=O)NNc2c(F)c(F)cc(F)c2F)cc1 2634240 NVMAPVUHSYXYDU-UHFFFAOYSA-N 405.373 2.363 50 40 HEGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 6254567 MQTWZAZTWGTYOA-CHWSQXEVSA-N 409.870 2.406 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 6606813 NFBJCHCVRHCMIH-DHRITJCHSA-N 422.485 2.382 50 40 HEGB CS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1 14186701 XCTZUZLEIJQTDT-UHFFFAOYSA-N 411.277 2.069 50 40 HEGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 19927936 ROAYBFYIPKWUJB-SSUFTNFISA-N 401.400 2.065 50 40 HEGB COc1cc(C)c(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c(C)c1 29047615 CXHVYRCJKGXCSX-UHFFFAOYSA-N 416.297 2.036 50 40 HEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 1578363 CXBOKPCUZWVJOW-DJKKODMXSA-N 406.782 2.354 50 40 HEGB CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc1 7384328 IKMRNTLNIIMVCP-NSHDSACASA-N 400.403 2.141 50 40 HEGB C[C@@](O)(CC(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(F)(F)F 7948872 OJSBLPZUJPKHKK-OAHLLOKOSA-N 405.373 2.343 50 40 HEGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C3CCC3)cc2)cc1 12604826 WIGBRTJCVVHTKU-UHFFFAOYSA-N 417.487 2.447 50 40 HEGB COC(=O)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1 31875861 KYMWDBAYIQYDND-IWIPYMOSSA-N 408.502 2.050 50 40 HEGB Cc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1C 408684459 NJSCYFCAAQNAHO-IHXMYUSMSA-N 422.275 2.356 50 40 HEGB COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 408973018 XHTKKTPESPHWOL-HYARGMPZSA-N 419.478 2.385 50 40 HEGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 409170842 XKXHJYGCJIDKFI-LSFURLLWSA-N 423.256 2.207 50 40 HEGB COc1ccc(OCC(=O)N/N=C/c2ccncc2)c(I)c1 903867 WURBOMWZTVIIMQ-GIJQJNRQSA-N 411.199 2.224 50 40 HEGB CCn1nc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)c2ccccc2c1=O 2645772 OJOPCCDDQAARAP-UHFFFAOYSA-N 400.822 2.153 50 40 HEGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408542895 OMXMMBDVBHWGMZ-NVNXTCNLSA-N 410.382 2.491 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 408757856 DIXDRRDEKHXEDP-DBRLUCFCSA-N 403.504 2.457 50 40 HEGB O=C(N/N=C/c1ccc(O)cc1O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408844744 CYOPDQPIANMERU-MBTVCVBTSA-N 423.878 2.055 50 40 HEGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)O 409341030 DCTVUTYQUARUPW-IFRROFPPSA-N 406.778 2.305 50 40 HEGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1 8088401 OIVVCRCGHSHRBB-YDZHTSKRSA-N 410.474 2.241 50 40 HEGB Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 8284153 HKMHBGDKMYSBKF-AWEZNQCLSA-N 401.467 2.051 50 40 HEGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNC(=O)Cc1ccccc1 12868936 KSJCQTOVIZCDPG-MRXNPFEDSA-N 405.454 2.113 50 40 HEGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc([N+](=O)[O-])cc2)=N/NC(N)=S)s1 16958133 BNIAWKZCZUSMNP-IYYWNBDZSA-N 419.492 2.073 50 40 HEGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=c1\c(=O)c2cccc3cccc1c32 96688459 LBKZEMYRBVCIOX-PNHLSOANSA-N 412.493 2.373 50 40 HEGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccccc3Cl)C(=O)NC2=S)cc1 408760103 RPAVPBGMFJETDC-LKEIMFIWSA-N 414.874 2.428 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OCC 2176041 XIFLCZSAICZCHC-KGENOOAVSA-N 419.503 2.400 50 40 HEGB CC(C)C(=O)NNC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 4230923 PMUFISHQMFYJEX-UHFFFAOYSA-N 404.883 2.364 50 40 HEGB CCCn1nc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc2c1=O 6653750 SXJHRYHWZMPIEO-UHFFFAOYSA-N 416.441 2.271 50 40 HEGB COc1cc(Br)cc(/C=N/NC(=O)Cn2nnc3ccccc32)c1O 993915 UDTFPWCMUKKQEN-QGMBQPNBSA-N 404.224 2.058 50 40 HEGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)[C@@H]1COc2ccccc2O1 9013398 DBYNHDUFIGYRSS-YCTMVFBPSA-N 422.191 2.353 50 40 HEGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3C[C@H]3C)cc2)cc1 12604930 YJZTYQABPLNWMV-FZKQIMNGSA-N 417.487 2.303 50 40 HEGB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccccc1Cl)C2=O 32975858 IQEONEYGOUVMKS-FKIZINRSSA-N 420.897 2.238 50 40 HEGB O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1 2551633 HKBSCGFGNZBYEC-DHZHZOJOSA-N 414.462 2.280 50 40 HEGB O=C(NCC1(c2ccccc2)CCC1)NNC(=O)c1csc(N2CCOCC2)n1 10259391 LKJDNCZBBQLBTR-UHFFFAOYSA-N 415.519 2.046 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 408800858 RLJONISKNRFPFF-SFQUDFHCSA-N 409.442 2.382 50 40 HEGB Cc1c(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)nn(-c2ccccc2)c(=O)c1C#N 409068547 RWRJZEXUPXJDGH-UUYOSTAYSA-N 402.370 2.085 50 40 HEGB COc1cccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c1O[C@@H](C)C(=O)O 409252216 WSFRIXNAUXHSBJ-ZDXHCBJDSA-N 415.446 2.142 50 40 HEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccccc1[N+](=O)[O-] 1881541 SANBZXSIADPZMP-YBFXNURJSA-N 410.415 2.391 50 40 HEGB COCCCNC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C 408707665 LLJZMNQEVIIAQV-YDZHTSKRSA-N 412.446 2.040 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 409256733 PIAUNRJXSMMDKU-DXRSZSRVSA-N 410.474 2.377 50 40 HEGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 2134766 CHGXXWPXPRMKFB-UHFFFAOYSA-N 414.418 2.157 50 40 HEGB COc1c(O)ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1[N+](=O)[O-] 9355252 SKZOGWPPSGPHDA-QGMBQPNBSA-N 404.335 2.055 50 40 HEGB O=C(NN/C=C1\C(=O)N(c2cccc3ccccc23)C(=O)N=C1O)c1ccncc1 38178025 SWLFTSOMIFUHLC-VBKFSLOCSA-N 401.382 2.476 50 40 HEGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cc(Br)ccc2O)n1 408991797 YUPYDCMCOLHVIR-DJKKODMXSA-N 415.251 2.267 50 40 HEGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3cccc(O)c3)c(C)c(C#N)c2=O)cc1 409061124 VTJOVVBZNKXCQT-CFRMEGHHSA-N 417.425 2.281 50 40 HEGB CCN1C(=O)/C(=N\NC(=O)CCN2CCN(c3ccccc3)CC2)c2ccccc21 102404747 IUSADRINBMFBPE-LVWGJNHUSA-N 405.502 2.086 50 40 HEGB C/C(N)=C(\C#N)C(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 104313813 HNUWSZHJLWLWLI-LGMDPLHJSA-N 405.410 2.085 50 40 HEGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 1384087 VQANIIGOHYTUGN-UHFFFAOYSA-N 421.906 2.202 50 40 HEGB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1[C@H]1[C@@H](Br)[C@@H](Br)[C@H]21 5395512 IKWBZJIIPSEQNE-YPTHNXLFSA-N 406.070 2.218 50 40 HEGB O=C(COCc1nc2ccccc2s1)NNC(=O)CN1CCCc2ccccc21 8139225 IHJFTAOLMUVPIY-UHFFFAOYSA-N 410.499 2.413 50 40 HEGB N#CC1=C(N)C(C#N)=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@H]1c1cccc(F)c1 8742142 KNKQISZMBGNMKE-DMGNWNAPSA-N 418.428 2.030 50 40 HEGB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1cccs1 17090552 ZATLPKDRMDGKEK-BOPFTXTBSA-N 416.434 2.362 50 40 HEGB COc1cc(/C(C)=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)ccc1O 20100160 WMXXVDYZWJDGKX-HKOYGPOVSA-N 410.518 2.367 50 40 HEGB Cc1ccccc1NCC(=O)NN[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682778 HFUSBDYYTGJBJG-SFHVURJKSA-N 411.506 2.070 50 40 HEGB O=C(CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NCc1cccnc1 58914885 KQPUTAOQHUIYAU-YDZHTSKRSA-N 407.386 2.406 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 408529825 DFYPXNMBMCYEKG-WUJFOHIQSA-N 418.331 2.320 50 40 HEGB O=C(O)COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1 409340885 BKOBMCOPMXWANB-AWQFTUOYSA-N 406.236 2.475 50 40 HEGB Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)Cc3ccccc3)n2C)cc1 862140 KDVSVWSHBOSARH-UHFFFAOYSA-N 424.530 2.218 50 40 HEGB COCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 6441112 PWKPAJVXWNPNTE-GFCCVEGCSA-N 409.895 2.183 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 6497022 NSQAJABCUYBANG-FOKLQQMPSA-N 416.865 2.252 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 6538268 WWXTWRDKROLHMU-CIAFOILYSA-N 403.504 2.439 50 40 HEGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1C 7408938 ZJDGNDMZLSCGLA-GOSISDBHSA-N 404.488 2.378 50 40 HEGB O=C(CCNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2ccccc21 9871797 NLRQGQBPVIPREO-UHFFFAOYSA-N 415.247 2.042 50 40 HEGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1[N+](=O)[O-] 12437032 KLUKDBPACVCMAF-DJKKODMXSA-N 403.395 2.313 50 40 HEGB Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(Br)c1 675144 GVYLNUGFOUFXTC-NWDGAFQWSA-N 413.268 2.175 50 40 HEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 6624850 JXOPNMCGGVUPDV-FYJGNVAPSA-N 414.418 2.213 50 40 HEGB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 138857140 FFWFSUURQDLWJG-SJSAEFMNSA-N 411.208 2.113 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cccc(F)c1 408740584 HCTCDFROYVXVNM-SLSPDHCBSA-N 418.837 2.259 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 409024522 CKTYHHUWFBXJDV-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB CN(CC(=O)N/N=C/c1ccc(O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 16186945 RBVSKSXDVWCJNH-DJKKODMXSA-N 416.286 2.470 50 40 HEGB C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C4/C(=O)Nc5ccccc54)c(=O)c23)C1 95661433 IKKJFNGEBWBFJX-LLVKDONJSA-N 421.482 2.055 50 40 HEGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1 100522654 BMVUSDHCRHATIZ-BUVRLJJBSA-N 413.474 2.454 50 40 HEGB Cc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408686539 RTWYVHSEZVUUBC-RJTBJPLASA-N 408.248 2.048 50 40 HEGB CCOC(=O)COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 408977211 UVUPTOAVFWFXTP-KEBDBYFISA-N 402.476 2.278 50 40 HEGB NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 409012701 RIMQIXNXJNIOPK-UHFFFAOYSA-N 402.303 2.217 50 40 HEGB COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2ccccc2Br)c1 3081731 DNAFKFZTDBHGIZ-AWQFTUOYSA-N 406.236 2.043 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 8369150 CKAIWEHGXWLCTK-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB CCOC(=O)Cn1c(Cl)c(/C=N/NC(=O)c2ccc3ccccc3n2)sc1=O 10382147 FFHJRXGEZZTLMP-AWQFTUOYSA-N 418.862 2.438 50 40 HEGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 22309628 SUJHMEYDTSBRJF-MLOFKKRKSA-N 413.474 2.337 50 40 HEGB C[C@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 23187866 FWHHBKMBDPQOHD-GXTWGEPZSA-N 408.483 2.497 50 40 HEGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(O)c3)CC2)c1 59953152 ZSDJHEHBXFCYDQ-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 408874745 GFNZMDDIFLHFSL-FYJGNVAPSA-N 419.503 2.399 50 40 HEGB O=C(N/N=C/c1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3204467 GZNLBSUPNVQJNF-KGENOOAVSA-N 415.471 2.323 50 40 HEGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2ccccc21 5700427 JRMPBADCNPIUNU-ROMGYVFFSA-N 416.437 2.292 50 40 HEGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 6570833 QZTAKIISHNDSPC-UHFFFAOYSA-N 414.418 2.287 50 40 HEGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1 19953853 KJYGCLPHHNBZTF-HBBMIWKISA-N 418.519 2.066 50 40 HEGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1 408614592 DZHPKJLCLDIIMA-GFCCVEGCSA-N 403.385 2.178 50 40 HEGB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408676649 BBXHZLFCEBGTHZ-DTXLLHAPSA-N 423.259 2.381 50 40 HEGB O=C(CNc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408692589 PZSOJORMCFJOMC-WSDLNYQXSA-N 401.398 2.133 50 40 HEGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCC(N)=O 408916617 YNPDQSDWCZUSFT-LSHDLFTRSA-N 405.838 2.132 50 40 HEGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCCc1ccccc1 4703123 JOWLEWKAOHGOTM-CIAFOILYSA-N 404.264 2.267 50 40 HEGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965902 JQVILRDAHKDGLL-UUYOSTAYSA-N 412.471 2.211 50 40 HEGB COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 6182231 RMJZCTCRTSPABJ-UDWIEESQSA-N 400.391 2.481 50 40 HEGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1cnccn1 28616262 WBGTZCZIGQIJQG-ZWSORDCHSA-N 400.030 2.471 50 40 HEGB O=C(CN1CCCC1)N/N=C/c1c(Br)ccc(Br)c1O 4724253 BVBAXKFCISXWRY-FRKPEAEDSA-N 405.090 2.463 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 6867941 SCYZOKQLJQSPBA-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB O=C(NNC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc2c(c1)OCCO2 57194733 XEBQXPCQQIWTJP-UHFFFAOYSA-N 400.406 2.106 50 40 HEGB O=C(N[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3I)OCc1ccccc1 100642510 XBTHKQKFXVBAQV-JJEKRJTGSA-N 413.211 2.276 50 40 HEGB NC(=O)Cn1cc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc21 6045777 FWDGQBVYGLFJQI-OPEKNORGSA-N 401.426 2.204 50 40 HEGB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)/C(C#N)=C\c2ccccc2)c1 96837920 NDGJIZILHUCJLQ-YBEGLDIGSA-N 422.393 2.349 50 40 HEGB COc1ccccc1/C=N/NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 408764006 HTCIKUUFLREWHI-DBRLUCFCSA-N 403.504 2.457 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c(OC)c1 408770827 BADDQLTUJKXJAM-CIAFOILYSA-N 419.503 2.237 50 40 HEGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1 408922456 BAIIUOHDUDIJKD-ZXOFLVKFSA-N 405.476 2.096 50 40 HEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)c1 409174244 UHVJTDXWXQBXQY-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2CC)c1 8088407 ZLOQYBKJYZPAKT-ZVHZXABRSA-N 408.458 2.019 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccccc1C#N 19851659 YKOXQBSQYOJPAX-MFKUBSTISA-N 422.485 2.318 50 40 HEGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCO3)cc1 36393443 RGMAJFIPRFNRTB-UHFFFAOYSA-N 409.471 2.117 50 40 HEGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 58884303 UTCCMCXYSSJLBR-HIQXPHMNSA-N 424.501 2.261 50 40 HEGB Cn1c(=O)c(C(=O)NNC(=O)c2ccc(Br)cc2)c(O)c2ccccc21 100551298 LKBMKTKNORZLNT-UHFFFAOYSA-N 416.231 2.081 50 40 HEGB N#CC(C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)=C1Nc2ccccc2N1 5242351 NVDBESHTEREZFY-CYBMUJFWSA-N 406.398 2.013 50 40 HEGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)c1 6610084 KECYAMXIQJBBJN-FSJBWODESA-N 410.474 2.296 50 40 HEGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(Br)s2)C(C#N)=C(N)O1 12417582 KXRPTPXXJYFSEN-GFCCVEGCSA-N 413.249 2.308 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)c1 3082023 AROPALHPXVEZKK-IOVUBPJKSA-N 419.503 2.157 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 6327586 JCMMAMRZEMPPEG-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F 13038958 FAILBEFZIFABOO-XYOKQWHBSA-N 423.397 2.490 50 40 HEGB COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)cc1 20210349 XGQTYGUCGZIEJH-KEBDBYFISA-N 413.858 2.404 50 40 HEGB CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 33388900 BOUIGOJBFMEXEC-HMAPJEAMSA-N 424.461 2.069 50 40 HEGB Cc1cccc(NC(=O)/C(C#N)=C\[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408745270 KZKPOWPWRIKTDS-VWILAXROSA-N 404.451 2.448 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 408775964 LCPLDCJHSCPSSG-VXLYETTFSA-N 424.866 2.473 50 40 HEGB CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc(Cl)c1O 408974892 ICGAZGQEKNLIQZ-ZVBGSRNCSA-N 418.816 2.387 50 40 HEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1 32999584 CURDANFIZNLPSW-LSDHHAIUSA-N 414.462 2.210 50 40 HEGB CS(=O)(=O)[C@H](I)[C@H](O)c1ccc(Br)cc1 96519152 ZSHPPEHVARGZSO-BDAKNGLRSA-N 405.051 2.288 50 40 HEGB COc1c(I)cc(Br)cc1/C=N/NC(=O)CC#N 861847 MKCAALJZEZGFBK-GIDUJCDVSA-N 422.020 2.426 50 40 HEGB Cn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1 900110 OHEANOZJQNPNPH-UHFFFAOYSA-N 402.867 2.084 50 40 HEGB Cn1cnnc1Sc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 3425721 XKZBBDDFVWMFKR-UHFFFAOYSA-N 416.394 2.088 50 40 HEGB CC(=O)N(C)c1ccc(OC[C@H](O)Cn2cc(/C=N/NC(N)=O)c3ccccc32)cc1 5521079 ZRHAKSHHJLWIIK-SFQCIDFKSA-N 423.473 2.066 50 40 HEGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)cc1OC 6355498 YZFIDTAMCQYDKK-YVNNLAQVSA-N 405.838 2.375 50 40 HEGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)c1 8369988 VPHTYAGIFJXRBZ-FSJBWODESA-N 410.474 2.296 50 40 HEGB COc1cc([C@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)ccc1O 691495 HNTQMOXWVIMVDH-FQEVSTJZSA-N 424.501 2.384 50 40 HEGB COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(OCC(N)=O)cc2)C(C#N)=C(N)O3)c1 5149904 DLBXVARHWJMWII-GOSISDBHSA-N 417.425 2.168 50 40 HEGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 778248 RHIRWFNNHGIRLE-GXDHUFHOSA-N 401.444 2.287 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1I 1054211 QBHITVCOTANKRP-BFERYNQYSA-N 410.211 2.484 50 40 HEGB O=C(O)COc1ccccc1/C=N\NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 38357660 MZPNPEKKEPGCAP-AFPJDJCSSA-N 409.320 2.258 50 40 HEGB COc1cc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCC(N)=O 4311336 QBFXAEPAPGFVNM-FOKLQQMPSA-N 400.479 2.161 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1Cl 20493194 NSDWNMXRKDZPKI-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB Cc1nnc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)s1 408690240 ULHXUTJVYNBCNN-JTMCIWCCSA-N 421.114 2.129 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1cc(OC)ccc1OC)S(C)(=O)=O 408791520 ZOQTYIJMEJXGNW-FYJGNVAPSA-N 419.503 2.183 50 40 HEGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC)cc2)S(C)(=O)=O)cc1 408906606 IISHLNWOQUVJOV-HBBMIWKISA-N 419.503 2.399 50 40 HEGB O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H](Cl)CS(=O)(=O)c2ccccc2)cc1 4704596 QZEINZHEKCBKIN-GFCCVEGCSA-N 403.865 2.450 50 40 HEGB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)NNC(=O)c1ccncc1 9937551 FMALTSJVHXNDIA-UHFFFAOYSA-N 403.402 2.448 50 40 HEGB CCNC(=S)NNC(=O)COc1ccc2c(C(=O)OCC)c3ccccn3c2c1 4053423 DFMDEWBTNPXELB-UHFFFAOYSA-N 414.487 2.163 50 40 HEGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])cc1 4599867 SPJMOZVMXLENET-QGZVFWFLSA-N 413.386 2.339 50 40 HEGB CCCOc1ccc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 5562047 DNVCZFNWWJNYSA-CJMVGXJBSA-N 414.483 2.255 50 40 HEGB O=C(NN/C=C1/C(=O)N(c2ccccc2Cl)C(=S)N=C1O)c1ccncc1 9044822 KQSODPYBRFYHKK-PKNBQFBNSA-N 401.835 2.142 50 40 HEGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)c1 20211210 OROSBCXJSZDGTE-FYJGNVAPSA-N 423.466 2.149 50 40 HEGB Cn1c(CC(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)nc2ccccc21 6315465 CJXXOAQCLSLXAP-KRWDZBQOSA-N 408.458 2.135 50 40 HEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890141 JSRBFUBAZZTMDX-XSFVSMFZSA-N 416.459 2.146 50 40 HEGB O=C(N/N=C\c1cc(I)ccc1O)[C@@H]1COc2ccccc2O1 13596087 KWDYBKUJSLWBIW-VHXYRJIDSA-N 424.194 2.287 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc(F)c1 408616049 VDAWSRHUNUQDKH-LBPRGKRZSA-N 420.238 2.402 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 409251602 PYBQCFFTAAWOKD-OHHQFBAHSA-N 410.474 2.377 50 40 HEGB O=C(NN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccncc1 2350556 LMGCKSFLYGPPKU-IBGZPJMESA-N 402.410 2.440 50 40 HEGB N#C/C(=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccccc1 20403643 PTJNRMDDLYDTHP-XDJHFCHBSA-N 411.483 2.372 50 40 HEGB CC(C)N1CCC(=NNC(=O)CCCC(=O)NN=C2CCN(C(C)C)CC2)CC1 4133318 KFGHADMYTRZJET-UHFFFAOYSA-N 406.575 2.110 50 40 HEGB NC(=O)Cn1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc21 6045778 LYMOHCRYIUKLEO-ZVBGSRNCSA-N 411.443 2.277 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 6356941 JHZXQUUFZGJFMH-KGENOOAVSA-N 417.487 2.031 50 40 HEGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(Cl)c1 7795362 NZGODKUSRRTIBK-UHFFFAOYSA-N 404.810 2.160 50 40 HEGB CCC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 12604946 BUWVTSIIIDFENB-UHFFFAOYSA-N 411.867 2.320 50 40 HEGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C(=O)OC)cc3)CC2=O)cc1 2349561 GDZCDDPETWVFED-YXUUZYBBSA-N 409.442 2.375 50 40 HEGB CCN(CC(=O)NNC(=O)c1cc(Cl)ccc1OC)Cc1ccc2c(c1)OCO2 11364791 GQQPKFDUAVCINC-UHFFFAOYSA-N 419.865 2.360 50 40 HEGB Cn1cc(Br)cc1C(=O)NNC(=O)C[C@@H]1Sc2ccccc2NC1=O 12393684 KAEHUFFLTUIHSE-ZDUSSCGKSA-N 423.292 2.052 50 40 HEGB O=C(OC[C@]1(O)[C@H](Cl)C=C[C@@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 14924131 OZXFMXVSIMKHPG-IKVWTGGYSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro Cc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cn1 22415396 PLTXXUIVNLDPOR-UHFFFAOYSA-N 413.441 2.167 50 40 HEGB O=C(NCc1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1)C(=O)Nc1ccccc1 408778840 MHQMNLPIUKDTJP-ZMOGYAJESA-N 408.389 2.438 50 40 HEGB COc1ccc(-n2nc(C(=O)N/N=C\c3cccc(OC)c3)c(C)c(C#N)c2=O)cc1 409058479 OXYGRWGMHVLMDO-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21 5855563 FBWBXGHKFQOABX-VDGHJGSRSA-N 420.469 2.102 50 40 HEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(C)cc1 13804294 ZRYGRMPQVTYAFL-RGVLZGJSSA-N 408.447 2.423 50 40 HEGB COc1cc(Br)cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1O 13596124 YQXRWNFXQKKGOT-CPIUSTHESA-N 407.220 2.453 50 40 HEGB O=C(CSc1nnnn1-c1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 18194306 BFAHJZXXUDRYGY-UHFFFAOYSA-N 412.519 2.118 50 40 HEGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([C@@H]3C[C@@H]3c3ccccc3)o1)C(C#N)=C(N)O2 36636087 MQISZXRMKZHQOH-LBTNJELSSA-N 416.437 2.166 50 40 HEGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1 408925789 PVTUNSOYSPXGFG-HBBMIWKISA-N 419.503 2.486 50 40 HEGB COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 5605687 JEIMHXFAMSWVSI-INIZCTEOSA-N 402.359 2.358 50 40 HEGB CSc1ccc(N2C[C@@H](C(=O)NNC(=O)COc3ccc(C)cc3)CC2=O)cc1 32909292 VWSJBCREQIJMHI-HNNXBMFYSA-N 413.499 2.296 50 40 HEGB CCOc1ccccc1/C=N/NC(=O)CC(=O)NCCc1ccc(OC)c(OC)c1 59435569 GMGRMDNKECARIJ-BUVRLJJBSA-N 413.474 2.302 50 40 HEGB CS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(Br)cc1 96519154 ZSHPPEHVARGZSO-IUCAKERBSA-N 405.051 2.288 50 40 HEGB Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1 6479166 YCFAJIDFAORLLM-FSJBWODESA-N 410.474 2.296 50 40 HEGB N#C/C(=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NCCc1ccccc1 19897668 LKCWTWRJBXAITD-HEHNFIMWSA-N 418.497 2.299 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409163623 VFBCYSLFBSTZNL-LSFURLLWSA-N 423.256 2.207 50 40 HEGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O 408781187 AKTSHVMBZAPKOY-VXLYETTFSA-N 424.866 2.473 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1Cl)Nc1ccccc1 409247897 DQYAURPQCYYINH-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 409168330 LLAYJZYHUQPQHR-LSFURLLWSA-N 423.256 2.207 50 40 HEGB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1 7939983 XAGCUXRVBCHJOG-UHFFFAOYSA-N 411.458 2.417 50 40 HEGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(F)cc1 33349256 WOYBFOAZKWSKFG-QRVIBDJDSA-N 401.438 2.196 50 40 HEGB Cc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1C 408684460 NJSCYFCAAQNAHO-LHVLRZJLSA-N 422.275 2.356 50 40 HEGB O=C(N[C@H](C(=O)N/N=C/c1ccco1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 17729435 BVWSBBGSHFIEBC-QMFLXTPQSA-N 415.409 2.138 50 40 HEGB NNC(=O)c1cc(OCc2ccccc2)c(C(=O)NN)cc1OCc1ccccc1 1911936369 NJDIDCXWALPMOI-UHFFFAOYSA-N 406.442 2.052 50 40 HEGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O 6606903 UGYCYJXWWZQQJF-SRZZPIQSSA-N 419.503 2.097 50 40 HEGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)C3CCC3)cc2)cc1 8277834 CZSCZPUDTURDPW-UHFFFAOYSA-N 415.515 2.377 50 40 HEGB COc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)c1 13021197 HEFUBKLYBSAVDU-OAHLLOKOSA-N 404.426 2.058 50 40 HEGB COc1ccc(C(=O)NNC(=O)CNc2nc3ccccc3s2)c(OC)c1OC 14253054 LFNSUKSAMBRYHP-UHFFFAOYSA-N 416.459 2.195 50 40 HEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 101307907 NVCGXNYMMZEDNB-VGNHOVESSA-N 423.741 2.289 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1cccc(Cl)c1Cl 408908157 UJZYQFGCVXMIFY-DJKKODMXSA-N 401.275 2.305 50 40 HEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2C(=O)O)c(C)c1 6456185 NRDJZBAJIHJFAH-SRZZPIQSSA-N 417.487 2.081 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 4670486 DNHVXURQKPYEDX-ZMOGYAJESA-N 414.437 2.210 50 40 HEGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccc(Cl)cc1 6985004 YJGLITGZXMENEO-LBPRGKRZSA-N 407.829 2.214 50 40 HEGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 9117977 VAUNIVYXCNAELD-CXUHLZMHSA-N 405.410 2.417 50 40 HEGB CCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1ccccc1OC 24293616 ZEJANYKQJMAHPL-UHFFFAOYSA-N 401.448 2.120 50 40 HEGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1C 7408937 ZJDGNDMZLSCGLA-SFHVURJKSA-N 404.488 2.378 50 40 HEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409131365 IIEPMVMOSBHVQA-FYJGNVAPSA-N 402.476 2.195 50 40 HEGB Cc1cc2c(c(=O)[nH]1)[C@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 18266092 OVCPMIOZTFQXFY-CQSZACIVSA-N 402.204 2.393 50 40 HEGB CCCc1ccc(N2C[C@@H](C(=O)NNS(=O)(=O)c3ccccc3)CC2=O)cc1 32795993 JCZHXPLKIIPIJT-INIZCTEOSA-N 401.488 2.002 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccc(Cl)c(Cl)c1 408914776 XPUKTLXNQFKGNF-DJKKODMXSA-N 401.275 2.305 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c(C#N)c2C)c1 409053370 JIKOCLUHKOUPSO-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@]12C(=O)Nc1ccc(F)cc12)OCO4 5355012 AWTVHQPMVBKGPN-JOCHJYFZSA-N 402.385 2.351 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 5633228 SGQCCUTWRCBNHI-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB COc1cccc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1OC 13000312 XMWYVWQLGSTZQY-UHFFFAOYSA-N 410.430 2.069 50 40 HEGB Cn1nc(C(=O)NNC(=O)CCOc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 15940055 ZJXIWIDIECVWMI-UHFFFAOYSA-N 422.485 2.461 50 40 HEGB O=C(CC(=O)N/N=C\c1cc2c(cc1Br)OCO2)NCc1ccccc1 59444832 DKHWLUVQVSPGHS-FBHDLOMBSA-N 418.247 2.334 50 40 HEGB COc1ccc(OC)c(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)c1 409060773 XUXFPSYIZBGGQL-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCC(=O)O 409312246 KFACDECHMWDGGH-NHDPSOOVSA-N 402.403 2.330 50 40 HEGB N#Cc1ccnc(Nc2nc([C@@H]3CCCN3Cc3ccc(B(O)O)cc3)cs2)c1 585295397 XZYOCSJIWACYEU-SFHVURJKSA-N 405.292 2.170 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)cc1OC 2075513 IVZNHCVBCNCBNV-LPYMAVHISA-N 413.430 2.366 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1cccc2ccccc12 408532738 IWKJRHCSHXSRSX-AKDSXBAHSA-N 418.453 2.439 50 40 HEGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 4356926 DFDCBOXEHKOAGX-HYARGMPZSA-N 411.462 2.184 50 40 HEGB O=C(O)CC/C(=N/NC(=O)CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 4981358 LBPJVHVHIPJHMG-QJOMJCCJSA-N 401.850 2.384 50 40 HEGB COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 6581645 FPAFDXIPPSIQLC-RCCKNPSSSA-N 401.488 2.246 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 9480053 ODQQETTXFVDJIT-KEBDBYFISA-N 424.446 2.124 50 40 HEGB Cc1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1C 138945022 MJGVEFQAFVICKG-UHFFFAOYSA-N 411.458 2.417 50 40 HEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408881896 OBYXPHCOSFBGKE-LPYMAVHISA-N 420.466 2.091 50 40 HEGB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2ccc(C)cc2C)cc1 14183017 YRLUSPPQQIPOMG-LJQANCHMSA-N 415.515 2.226 50 40 HEGB Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1 1754263 OISMBNAILLSXMB-UHFFFAOYSA-N 405.798 2.139 50 40 HEGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(C)(=O)=O 2085293 QHBQMJIATNAGHO-XDHOZWIPSA-N 407.517 2.333 50 40 HEGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1ccc(Cl)cc1Cl 2328403 SOGORDJSGOFIBT-PUMJXZTNSA-N 408.241 2.400 50 40 HEGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OC 4721710 PRIVCIFEBBCSLL-GIJQJNRQSA-N 411.199 2.467 50 40 HEGB CCn1c(NNC(=O)C[C@@H]2Sc3ccccc3NC2=O)nc2ccccc2c1=O 11164438 XYDITESHPFSPGX-INIZCTEOSA-N 409.471 2.363 50 40 HEGB CCOc1c(Cl)cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC 13001763 JVZRNXLXOKCTTL-INIZCTEOSA-N 406.822 2.348 50 40 HEGB O=C(OC[C@@]1(O)[C@@H](O)[C@@H](OC(=O)c2ccccc2)C=C[C@H]1Cl)c1ccccc1 13386229 OZXFMXVSIMKHPG-NYUBLWNDSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro CCC(=O)NNC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 409003564 STKMFKRSGYRNMD-UHFFFAOYSA-N 401.419 2.136 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1ccccc1Br 6182688 ACKOLVOZMSCJFT-WOJGMQOQSA-N 410.293 2.365 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 9233036 HZTFEKVIDRUOFL-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB O=C(NNS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 12897222 SMTLOWAYVHLUCY-UHFFFAOYSA-N 403.243 2.388 50 40 HEGB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccncc1 1235808 IAMGCACNTGZQSJ-QINSGFPZSA-N 412.496 2.134 50 40 HEGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Cl)c2)cc1 16321289 VKKPTRAOHDTTFE-RGVLZGJSSA-N 422.894 2.069 50 40 HEGB CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2ccc(OCCOC)cc2)cc1 23143933 MZRSOJLKIMGYPM-UHFFFAOYSA-N 421.519 2.181 50 40 HEGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(Cl)cc2)CC1 59434028 PRONPXWZJWMPMG-HYARGMPZSA-N 400.866 2.148 50 40 HEGB COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2C=C[C@@H]1[C@H]1[C@@H](Br)[C@@H](Br)[C@H]21 104429775 ORAZXYAVSPPWHK-CDUXTVBPSA-N 408.086 2.154 50 40 HEGB CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(OC)cc2)c2ccccc21 106066531 AWNHWCWWNFBDNP-ATJXCDBQSA-N 408.458 2.044 50 40 HEGB O=C(N[C@H]1COB(c2ccccc2)O[C@@H]1c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 195755501 ATTCHQYZEYDIHQ-LSDHHAIUSA-N 409.034 2.367 50 40 HEGB CCOc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 8445675 VBGTUHNHZBDNEJ-GIJQJNRQSA-N 404.335 2.136 50 40 HEGB CCCn1c(CCC(=O)NN(C)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 10737573 KWGWVMCMPQYFRK-UHFFFAOYSA-N 415.519 2.194 50 40 HEGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Br)cc12 1825699 YXZJMODEWUDVLB-GOSISDBHSA-N 416.231 2.366 50 40 HEGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2205030 VYEGBLJJIRMVAY-UWXVCKHVSA-N 421.501 2.277 50 40 HEGB O=C(N/N=C/c1cccc(O)c1O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3525311 GIFVTMTXZCREGT-DEDYPNTBSA-N 403.460 2.036 50 40 HEGB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1 4817644 MUDPVQXQYDFFAQ-KDOFPFPSSA-N 416.503 2.013 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c1 20213736 MCPPDLLZOPCZAE-OEAKJJBVSA-N 424.482 2.436 50 40 HEGB CCOc1ccc(C(=O)NNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cc1 48290764 VBGGDHYYYXSHLD-INIZCTEOSA-N 417.409 2.451 50 40 HEGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OC 2256126 GGQOHIPRIPFYFE-FQEVSTJZSA-N 424.501 2.344 50 40 HEGB CCCc1cc2c(=O)n([C@@H](C)C(=O)N/N=C3\C(=O)Nc4ccccc43)cnc2s1 8474780 YEZYLNYKNLSTHS-NSHDSACASA-N 409.471 2.444 50 40 HEGB Cc1cc(C(=O)N/N=C2\C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)[nH]n1 13880659 KPVFKGSNHGQDAZ-CLCOLTQESA-N 403.398 2.128 50 40 HEGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)cc1OC 20211408 XVMFFXPBIVSCSE-FYJGNVAPSA-N 423.466 2.149 50 40 HEGB Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 8352076 ODIRXYBVSHAVHG-SFHVURJKSA-N 415.515 2.165 50 40 HEGB COc1ccc(CCC(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 23109378 NLVNJRAADJPTKA-UHFFFAOYSA-N 423.444 2.438 50 40 HEGB CC1(CC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SCCS1 408586937 DDDLNYPGPPXJDC-LDADJPATSA-N 410.521 2.468 50 40 HEGB CCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408690817 WVMSYEYUHUXWFB-LACSLYJWSA-N 408.248 2.373 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 408757857 DIXDRRDEKHXEDP-IOVUBPJKSA-N 403.504 2.457 50 40 HEGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 408776080 TYSUPEXRBPWFLC-VXLYETTFSA-N 424.866 2.473 50 40 HEGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 5688728 UPBCLPLOSDBLLS-UHFFFAOYSA-N 413.455 2.277 50 40 HEGB CCOc1cc(/C=N/Nc2nncn2N)c(C)cc1N(CCCl)CCCl 5845175 XMTSCUBVCHBLIA-KEBDBYFISA-N 400.314 2.429 50 40 HEGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC(C)C 8088411 ZQCDHOZWHOVRIN-YDZHTSKRSA-N 410.474 2.241 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408785686 YERLGLNYIDBLHB-CIAFOILYSA-N 417.487 2.006 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 6295751 BXQLMNAHMHWOQT-FSJBWODESA-N 414.849 2.110 50 40 HEGB CCCn1nc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c2ccccc2c1=O 6686271 YXSXYUICHVJTMP-WSDLNYQXSA-N 408.414 2.034 50 40 HEGB Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 12735446 YJXJRNRDZXDROG-UHFFFAOYSA-N 413.249 2.110 50 40 HEGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc([N+](=O)[O-])c1O 95613679 SXVRJUXKZAEGNZ-INIZCTEOSA-N 420.381 2.379 50 40 HEGB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1 7939990 NULFNIVDVNBVKV-UHFFFAOYSA-N 411.458 2.417 50 40 HEGB CC(C)(CCl)C(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 11665875 KOUDNLIXZVJXDA-UHFFFAOYSA-N 417.876 2.263 50 40 HEGB Cc1nnc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)s1 408684672 KFBGYNGFSWGCDO-SOSBWXJGSA-N 409.103 2.273 50 40 HEGB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N/NC(=O)c2nonc2N)o1 408973283 LEMUXEABISMPOS-NGYBGAFCSA-N 406.742 2.246 50 40 HEGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C)cc3)c(C)c(C#N)c2=O)cc1 409060004 UHCFKNVFKYYBCA-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2 409116605 OGAZMWQIUWZRHO-DEDYPNTBSA-N 403.460 2.008 50 40 HEGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)c(Br)c1O 409242006 TXZHDNVJUPOKRR-KXFIGUGUSA-N 419.029 2.028 50 40 HEGB CCCn1nc(C(=O)NNS(=O)(=O)c2cc(C)ccc2C)c2ccccc2c1=O 3249308 WKGRYDICVOYXAV-UHFFFAOYSA-N 414.487 2.047 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 6584665 XOMPHZILTKKCDG-KGENOOAVSA-N 401.488 2.163 50 40 HEGB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1ccc(Cl)cc1 12871868 MJOFEMJOCUMGIM-AWEZNQCLSA-N 415.924 2.166 50 40 HEGB COc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccccc1 20214259 KMPXFOXJCIFTFS-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB O=C(Cc1cccc(F)c1)NCC(=O)NNC(=O)c1cc2c(s1)CCCCC2 40144715 WAZTXRNZHAQOLD-UHFFFAOYSA-N 403.479 2.276 50 40 HEGB C=CCN1C(=O)C(C#N)=C(C)/C(=C\Nc2cc(OC)c(OC)cc2C(=O)OC)C1=O 101230765 KLVDIQOXLPILKP-RVDMUPIBSA-N 411.414 2.181 50 40 HEGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O 408777743 HPWLDYZUNPMCRW-AWQFTUOYSA-N 423.878 2.293 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 6376286 QQQVCPOYOBMJMP-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1OC 409351668 USOXWIFHJNOJGP-GVLJNOETSA-N 406.822 2.084 50 40 HEGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)NC[C@@H]1CCCO1 6240360 VLFFNYGZINDLHU-CYIWUNGXSA-N 409.236 2.115 50 40 HEGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCC2)c1 9336320 MKEDEINHCFDHNO-UHFFFAOYSA-N 403.460 2.057 50 40 HEGB C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NNC(=O)c1cccc(Cl)c1 10899563 JOXWZCPWVZWHLF-JTQLQIEISA-N 420.857 2.397 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 19952631 UJYQBYIJUWDLRE-OEAKJJBVSA-N 424.482 2.436 50 40 HEGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 19954537 UYGGLIWYSOZDCT-XMHGGMMESA-N 404.448 2.210 50 40 HEGB COc1ccc(Cl)cc1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 101307606 DCAFKAZFXFQRQD-HVDUUVBESA-N 409.316 2.189 50 40 HEGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(OC)cc1 408707376 JQQIIXISTUFLSL-KEBDBYFISA-N 405.252 2.397 50 40 HEGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccnc1 8820399 QRNVIEIWTPNBPI-MMPACVFLSA-N 424.507 2.300 50 40 HEGB Cc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl 408645849 MVDZRKDMQBUANO-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB Cc1nnc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)s1 408684671 KFBGYNGFSWGCDO-NGJRWZKOSA-N 409.103 2.273 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1[N+](=O)[O-] 408973229 KQJTWDQURKTLQZ-ORWNMUSCSA-N 409.446 2.127 50 40 HEGB CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 2442861 YEWKKWPCWKSPNP-KEBDBYFISA-N 424.446 2.124 50 40 HEGB COc1ccc(C(=O)NNC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)cc1 5021990 VPPCMDPKXMWFRP-UHFFFAOYSA-N 411.487 2.446 50 40 HEGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccco2)c1C#N 5128116 GPXHXFGYUAWOJT-FBCYGCLPSA-N 407.224 2.293 50 40 HEGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccccc1 5376077 XCJZGJPZBNTLOP-SDNWHVSQSA-N 401.469 2.332 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 6326069 WIWQKOLXIGALIC-FOKLQQMPSA-N 416.865 2.252 50 40 HEGB COc1cc(C(=O)NNS(=O)(=O)c2cc(F)ccc2F)ccc1OC(C)C 12805477 OKIFNBUNJHCWFS-UHFFFAOYSA-N 400.403 2.384 50 40 HEGB COc1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc1Br 30791481 SBEAMUXIXWFNTP-WCIAWYDSSA-N 416.275 2.438 50 40 HEGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 101307911 NVCGXNYMMZEDNB-LYQCPJKTSA-N 423.741 2.289 50 40 HEGB O=C(NNC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1ccc2c(c1)OCO2 23383034 RDOLKCHEFOZIMM-SFHVURJKSA-N 423.450 2.409 50 40 HEGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 58881361 NUQJWJHPGFVWAN-UFFVCSGVSA-N 403.822 2.289 50 40 HEGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1c(C(F)(F)F)n[nH]c1C(F)(F)F 78964360 HTOTXJVSYCUKMB-QMMMGPOBSA-N 424.257 2.048 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1cccc(Cl)c1Cl 408907236 NEDQLXOITYQHLK-DJKKODMXSA-N 401.275 2.305 50 40 HEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 409176601 SKFJDDYYNWINKP-RGVLZGJSSA-N 401.375 2.309 50 40 HEGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 9882972 OLOGDQOKINRZDI-UHFFFAOYSA-N 417.465 2.239 50 40 HEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)c(OC)c1 408909489 UPTWEWSJVHEBBM-LSPPGFKNSA-N 424.457 2.405 50 40 HEGB COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccs1 1858248 JNRCOCQBDUTSFJ-UHFFFAOYSA-N 414.306 2.469 50 40 HEGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)c2ccccc2F)C(C)C)c1 2658178 AFUYRPZFYSCCHA-SFHVURJKSA-N 417.437 2.059 50 40 HEGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cc(C)ccc1C 8369966 WDBWNGKTCDXGHO-AUEPDCJTSA-N 416.865 2.170 50 40 HEGB Cc1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 8414372 NBHRNSLARSGCMU-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)c3c[nH]c4ccccc34)ccc21 12980280 ULKJSWRSESJASV-UHFFFAOYSA-N 412.471 2.090 50 40 HEGB O=C(NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cncc(Br)c1 100129719 NZJKHMNABULFAQ-CYBMUJFWSA-N 423.654 2.064 50 40 HEGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(F)cc3F)nnn2-c2nonc2N)cc1 2396022 STWKLCNMMJJIAI-NUGSKGIGSA-N 424.371 2.250 50 40 HEGB COc1ccc(CC(=O)NNC(=O)CNc2ccc(C)cc2C)c(OC)c1OC 7961465 JCGUHCOGIYDZBZ-UHFFFAOYSA-N 401.463 2.131 50 40 HEGB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1 17088439 FHIZRYLXHPUBFY-UYRXBGFRSA-N 410.405 2.300 50 40 HEGB CCOc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1 33333418 YYFWWRUINQJRMQ-UUYOSTAYSA-N 418.417 2.062 50 40 HEGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408692604 QNRRENIBCBUPNF-WSDLNYQXSA-N 401.398 2.133 50 40 HEGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(C)(=O)=O 408776887 SCAIYMMWTOWVQD-XSFVSMFZSA-N 405.476 2.097 50 40 HEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(O)cc3)CC2)cc1OC 409007179 URMQBMQSNAAQHD-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 5663495 KLKYLTUVEVYSPX-JKSUJKDBSA-N 402.794 2.389 50 40 HEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 5663497 UJKDDLCIUWQQGU-JKSUJKDBSA-N 402.794 2.389 50 40 HEGB COc1ccc(OC)c(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccccc2)c1 19951497 SDHDAIKUPSLYJD-UHFFFAOYSA-N 405.476 2.411 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1C 408680439 GGUGYLNOWQRSBZ-HRTQJFGHSA-N 422.275 2.356 50 40 HEGB Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 8413616 SONMOAZWSIZNBU-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1ccccc1Cl 8861600 GJSBCQJWKXIJOD-RGVLZGJSSA-N 423.878 2.028 50 40 HEGB COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)cc1 58924398 ANYGQTUSBFXEER-XDHOZWIPSA-N 407.517 2.333 50 40 HEGB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(=O)CCl)N3[C@@H]1O 100375838 LAHDERDHXJFFJU-DWNKYNSKSA-N 402.922 2.344 50 40 HEGB in-man Cc1ccccc1/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccccc1C)C=2C#N 705606 FZEHTKPOOVXXQD-IOAQBMTJSA-N 410.502 2.478 50 40 HEGB NNC(=O)[C@H](NC(=O)CC1c2ccccc2-c2ccccc21)[C@@H](O)c1ccccc1 5487310 AWKYKUIXIWUJKN-PKTZIBPZSA-N 401.466 2.397 50 40 HEGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC 7812491 ZPVLIAWBXLKGPI-GIJQJNRQSA-N 400.273 2.221 50 40 HEGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1c(C)nn(-c2ccc(Cl)cc2)c1O 35183210 JAPPOTMBHJSFET-OQLLNIDSSA-N 412.833 2.124 50 40 HEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)c1C 409151939 CSWSFANEKIBVSH-ZVHZXABRSA-N 422.485 2.393 50 40 HEGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 5661016 YFQYDPVUOYIFCT-ZROIWOOFSA-N 405.248 2.235 50 40 HEGB O=C(NN/C=C1\C(=O)N(c2ccccc2Cl)C(=S)N=C1O)c1ccncc1 34237780 KQSODPYBRFYHKK-LUAWRHEFSA-N 401.835 2.142 50 40 HEGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1C 3431031 PIVAQKPFSDXKOF-UHFFFAOYSA-N 410.426 2.323 50 40 HEGB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1cc2c(s1)CCCCC2 21971060 JFGAGYLHUGUZNQ-UHFFFAOYSA-N 416.459 2.116 50 40 HEGB O=C(NNC(=O)c1ccc(Cl)cc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 40134505 RFRUSKSNAOHDLW-UHFFFAOYSA-N 402.813 2.419 50 40 HEGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1cc2ccccc2o1 409232203 OVIQVZYNKVIMOY-UCQKPKSFSA-N 407.426 2.434 50 40 HEGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(OC)c(OC)c3)cnc2s1 958364 QCCKMBKJCNSLCN-ZVBGSRNCSA-N 400.460 2.188 50 40 HEGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1 2210640 TUUIMWMGGCTFLH-QFBILLFUSA-N 421.453 2.341 50 40 HEGB COC(=O)Cn1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c2ccccc21 4678088 BBNPGFQHFIJYHO-ZVBGSRNCSA-N 411.487 2.464 50 40 HEGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C(/CCC(=O)O)c2ccccc2)cc1 4823923 DTRGFOORYKHKSC-IMZMSDMLSA-N 409.442 2.210 50 40 HEGB CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(=O)N3CCOCC3)c12 6567978 ASAQEGGNKHZXIB-SFQUDFHCSA-N 406.486 2.248 50 40 HEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(Br)cc2)cc1 223157493 QSSAINWWUZPAGM-GRSHGNNSSA-N 404.220 2.325 50 40 HEGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 408776606 WYHRIRAPDKHVNQ-RCCKNPSSSA-N 419.503 2.400 50 40 HEGB CCCc1cc2c(=O)n([C@H](C)C(=O)N/N=C3\C(=O)Nc4ccccc43)cnc2s1 8474799 YEZYLNYKNLSTHS-LLVKDONJSA-N 409.471 2.444 50 40 HEGB O=C(CCCC(=O)c1cccs1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 40051351 BZLIAOYUCBKCRT-UHFFFAOYSA-N 424.482 2.218 50 40 HEGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408945254 NLVKAZDAZBHABC-SSDVNMTOSA-N 418.881 2.228 50 40 HEGB CN(c1ccccc1C(=O)NN=C1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 409334071 SXWGYPLWCJLMER-UHFFFAOYSA-N 414.531 2.464 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(SC)cc2)cc1 6544457 ZCJTYBLGIJXFCK-XDHOZWIPSA-N 407.517 2.188 50 40 HEGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)c(C)c1 8369240 FTIFMBGMEPLDBQ-FSJBWODESA-N 410.474 2.296 50 40 HEGB O=C(N[C@H]1COB(c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 195755497 ATTCHQYZEYDIHQ-GJZGRUSLSA-N 409.034 2.367 50 40 HEGB CC1(C)O[C@H]2CO[C@H]3OC(C)(C)O[C@]3(/C=N\NC(=O)c3cc4ccccc4[nH]3)[C@@H]2O1 5707407 GHSQPBSXDHFYSL-ZQIKHXGUSA-N 415.446 2.282 50 40 HEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1[N+](=O)[O-] 7928525 MOOYAKHILFTJHK-GFCCVEGCSA-N 416.821 2.371 50 40 HEGB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1ccc(OC(C)C)cc1 12868865 OJTGZYMSNAZBQE-UHFFFAOYSA-N 419.503 2.107 50 40 HEGB COc1ccccc1C(=O)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408961591 NQBWLLSDWKGBTK-ZVHZXABRSA-N 420.469 2.273 50 40 HEGB COc1ccc2ccccc2c1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C 2370550 DMJWFWMVJKBGIF-LSHDLFTRSA-N 420.433 2.282 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1OC 4502912 AVYQKOIUHVGOQD-CIAFOILYSA-N 419.503 2.237 50 40 HEGB COCc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 17082177 LWTQBCCNAXBEJF-NTEUORMPSA-N 401.444 2.035 50 40 HEGB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)no1 102630957 IFPRZDPGAPGJEI-QVFRLSQGSA-N 404.058 2.265 50 40 HEGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc2c(c1)n(C)c(=O)n2C 657949 WZNPQWADGQZJOU-KEBDBYFISA-N 417.263 2.412 50 40 HEGB C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=N/NC(=O)c2ccccc2)C[C@@H](C)O1 5369841 DOFREUBQPCYDOP-ILLSNQCBSA-N 405.458 2.072 50 40 HEGB O=C(NNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1cc(-c2ccccc2)n[nH]1 8725502 JYDYQWSHURLGCU-MRXNPFEDSA-N 409.471 2.204 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 19951169 BJZZJPBBACHXSH-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB Cc1ccccc1OCC(=O)N/N=C\c1ccc(OCC(N)=O)c(Br)c1 32111941 GIXPQGOHFQMVSK-NKVSQWTQSA-N 420.263 2.151 50 40 HEGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1O 408764469 WZYRWUPRJOFHEX-CIPMJJFUSA-N 419.503 2.162 50 40 HEGB O=C(CSc1ncnc2sccc12)NNC(=O)CN1CCCc2ccccc21 5689519 XZBWJPKVCUEHIA-UHFFFAOYSA-N 413.528 2.384 50 40 HEGB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NNC(=O)c1ccccn1 32855970 IGZVYTDUELRHML-ZDUSSCGKSA-N 410.377 2.365 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(N)=O 409259447 ZFQFJIMXQGMXBN-NKVSQWTQSA-N 420.809 2.275 50 40 HEGB C[C@@H](C(=O)N/N=C1/C(=O)Nc2ccccc21)n1cnc2sc3c(c2c1=O)CCCC3 1783624 RYIHKIMLHFRBJC-NSHDSACASA-N 421.482 2.370 50 40 HEGB COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1cc(OC)c(OC)c(OC)c1 3431051 UURZZVFQIUWQOQ-UHFFFAOYSA-N 408.838 2.378 50 40 HEGB O=C(N/N=C/c1cccnc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59921117 BMNIRKXEGPMSSM-FYJGNVAPSA-N 406.895 2.286 50 40 HEGB COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)NCC(F)(F)F)c1C 96291556 ZFVSWPROGJSAPA-BYQGBLLGSA-N 400.401 2.014 50 40 HEGB O=C(N/N=C/c1ccccc1O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 96576728 NCXRNZOGRISBJG-DDLUMYACSA-N 407.879 2.349 50 40 HEGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(NC(=O)c2ccccc2)cc1 108991566 DGEFSWOBLDQGBD-CAMMJAKZSA-N 419.437 2.223 50 40 HEGB C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118923741 BATUORYJCLTZTR-OJGXVJBCSA-N 422.610 2.354 50 40 HEGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Br)cc2)cc1OC 3059636 XYFYBJSXZAAHAL-UFFVCSGVSA-N 420.263 2.346 50 40 HEGB COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(C)cc2)c(C)c(C#N)c1=O 409059116 PHQNLNQFJMARQL-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB O=C(N/N=C/c1ccc2c(c1)OCCOCCOCCO2)c1ccc([N+](=O)[O-])cc1 1433758 DIUYKZFOOWEHDW-KGENOOAVSA-N 415.402 2.163 50 40 HEGB CCn1c(Cc2ccccc2)nnc1SCC(=O)NNC(=O)Cc1ccccc1 4976961 KQDXUJLFDHGOBD-UHFFFAOYSA-N 409.515 2.371 50 40 HEGB CCOc1c(Br)cc(/C=N/NC(=O)CC2(C)OCCO2)cc1OC 5718413 YASAPMWKYLFGMI-VCHYOVAHSA-N 401.257 2.460 50 40 HEGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 12857223 ZTRSXJJDHHLTSG-UHFFFAOYSA-N 408.501 2.427 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1cccc(C(F)(F)F)c1 20210957 CGUNSVOVTMIEAG-UFFVCSGVSA-N 400.382 2.017 50 40 HEGB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1 95394279 KTRUDHJCLGPVBH-UHFFFAOYSA-N 405.480 2.320 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(N)=O 409258456 XOKWIUQUBCZEMX-FBHDLOMBSA-N 420.263 2.476 50 40 HEGB O=C1[C@H]2[C@@H](C(=O)N1c1nccs1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 4592885 AHPXHHAPHJBUJZ-STRDHONQSA-N 406.099 2.425 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(Cl)c1 8369197 TVZQAFXCCVDAOW-AUEPDCJTSA-N 416.865 2.170 50 40 HEGB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NNC(=O)c1cccnc1 11770909 BGNMYEMSCKICAF-UHFFFAOYSA-N 401.426 2.472 50 40 HEGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1 101141185 BGZUVXQWBLJIFW-NTEUORMPSA-N 409.354 2.145 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(C)C(=O)OCc2ccccc2)cc1[N+](=O)[O-] 4905699 USZSWJSWMFXOCH-RGVLZGJSSA-N 400.391 2.322 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 6312903 VPRGSNZYUQXYKU-FSJBWODESA-N 414.849 2.110 50 40 HEGB N#CC(C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)=C1Nc2ccccc2N1 6508681 CRIMMMCIIHLBNU-UHFFFAOYSA-N 415.409 2.241 50 40 HEGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 20060305 JUGCXCFZTCAWQB-XMHGGMMESA-N 404.448 2.210 50 40 HEGB COc1cccc(NC(=O)[C@@H]2CC(=O)N=C(NNC(=O)c3ccc(C)cc3)S2)c1 2264050 FTLGVMZGLQGRTQ-INIZCTEOSA-N 412.471 2.265 50 40 HEGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)CCl)s2)cc1 6026383 GKSLFEZKADQTRP-YBFXNURJSA-N 408.915 2.254 50 40 HEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 13479770 UTNOVQNYIKGJND-YLJYHZDGSA-N 419.485 2.458 50 40 HEGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 18266095 OVCPMIOZTFQXFY-AWEZNQCLSA-N 402.204 2.393 50 40 HEGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)NCc1cccnc1 32189211 ZFQYGCBALKAJPO-BOPFTXTBSA-N 422.466 2.376 50 40 HEGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccccc32)cc1OC 100301822 GOKQIOHBHIFNKU-ATJXCDBQSA-N 408.458 2.238 50 40 HEGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1c(F)cccc1Cl 108973491 RVIIQCPSXIWXIO-MTJSOVHGSA-N 411.886 2.434 50 40 HEGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)cc1 1088080 HSYNIMFOVZOETP-UHFFFAOYSA-N 412.265 2.031 50 40 HEGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 408612898 XIXQEJNDRSLXQP-AUEPDCJTSA-N 416.865 2.170 50 40 HEGB COc1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1OC 958258 RYXSLDHYXQABMS-ODCIPOBUSA-N 400.460 2.242 50 40 HEGB CCCCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2cc(C(=O)OC)ccc2c1=O 104417155 CLAWXGSRQSLJSH-QINSGFPZSA-N 414.487 2.401 50 40 HEGB CSc1nc(C)c(CCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1 12907817 RAQDIMUZGRHLIZ-UHFFFAOYSA-N 404.536 2.097 50 40 HEGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 58914024 SUYBOFOXKTVYOU-UCQKPKSFSA-N 400.479 2.096 50 40 HEGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408786725 VLINUVHFLFOHFF-XMHGGMMESA-N 404.448 2.210 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)cc1 409027039 SHQQTALHVDJNAG-FYJGNVAPSA-N 417.487 2.091 50 40 HEGB N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)NCc1ccccc1 409156920 SZTJSSZAYSBTSR-XSFVSMFZSA-N 405.454 2.148 50 40 HEGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2I)cc1 670389 JQZBOEXSGRCOOE-UHFFFAOYSA-N 416.240 2.223 50 40 HEGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 6355262 QASTWLUGMWSZLL-IRXDYDNUSA-N 415.515 2.452 50 40 HEGB Cn1cccc1CC(=O)NNC(=O)CNC(=O)c1sc2ccccc2c1Cl 6507227 WDDPSKPBMWQZPC-UHFFFAOYSA-N 404.879 2.013 50 40 HEGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 33500384 XDOBFARPNIOBJD-WSDLNYQXSA-N 416.397 2.449 50 40 HEGB COc1ccc(/C=C\C(=O)NCC(=O)N/N=C(\C)c2ccc(OC)cc2OC)cc1 4844332 SXQZUVBFSHTXPS-XJCJYRIVSA-N 411.458 2.382 50 40 HEGB CN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)CC1 5023843 BBFLWXWJKZKDGH-JQIJEIRASA-N 411.469 2.387 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 6430328 JQMOZANOCJNNKV-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB CCOC(=O)C1=NO[C@H](Cc2c(C=C(C#N)C#N)c(OC)c3c(c2OC)OCO3)C1 15084727 DHDYEHQCWMPUMP-GFCCVEGCSA-N 413.386 2.114 50 40 HEGB Cc1ccc(Cn2cc(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)ccc2=O)cc1 23136195 KSWFKSXSHSTAHI-UHFFFAOYSA-N 420.425 2.400 50 40 HEGB O=C(NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1n[nH]c2ccccc12 25106127 MDTLESCGBLHFIV-UHFFFAOYSA-N 424.420 2.337 50 40 HEGB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NNC(=O)c1ccc(F)cc1 408530973 JXVQXUOYZIRHFK-SFQUDFHCSA-N 418.384 2.380 50 40 HEGB COc1cc(/C=N/NC(=O)c2ccccc2N)cc(I)c1O 408728305 JNZNDWWRHAZLKJ-QGMBQPNBSA-N 411.199 2.352 50 40 HEGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408774568 PIXMYORRZSMFOS-CIAFOILYSA-N 417.487 2.145 50 40 HEGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)ccc1OC 409303129 LPYAYYRLLNZFHY-YVNNLAQVSA-N 405.838 2.375 50 40 HEGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(OC)c(OC)c(OC)c1 642491 FNBFFKRDXBYZMW-OAHLLOKOSA-N 416.459 2.270 50 40 HEGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cc2c(s1)CCCCC2 7404810 SHCFIQAWDZYRJB-UHFFFAOYSA-N 408.501 2.412 50 40 HEGB CSc1ccc(N2C[C@H](C(=O)NNC(=O)CNc3ccc(C)cc3)CC2=O)cc1 12546178 RZXRNBBKJOBPNA-OAHLLOKOSA-N 412.515 2.329 50 40 HEGB O=C(N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc2ccccc2o1 408859105 WNCSZHNODWZANF-WHJAWBAWSA-N 406.423 2.213 50 40 HEGB N#Cc1ccnc(Nc2nc([C@H]3CCCN3Cc3cccc(B(O)O)c3)cs2)c1 585295325 VEHRSULSSNWPMX-GOSISDBHSA-N 405.292 2.170 50 40 HEGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1 28215692 PGUQNZKCYVCNRF-FINLKQIMSA-N 411.458 2.133 50 40 HEGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccccc32)cc1OC 85945373 KYURXHQJKPPAJC-LVWGJNHUSA-N 422.485 2.167 50 40 HEGB COc1ccccc1OCC(=O)N/N=C\c1ccc(I)o1 408996840 NHXYTZNWKOAPOY-PXNMLYILSA-N 400.172 2.422 50 40 HEGB COc1ccc(/C=C/C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 4895498 WYSPFTHCIQNGGU-FMIVXFBMSA-N 408.502 2.068 50 40 HEGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(OC)cc2)c2ccccc21 5243343 QQFFXNJVNVFARU-VXPUYCOJSA-N 418.453 2.273 50 40 HEGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1O 5547163 MMZIIGLBUMZNSU-YVLHZVERSA-N 406.442 2.088 50 40 HEGB O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)Cc1ccccc1Cl 19362282 OLHLWYKAKHTUIR-UHFFFAOYSA-N 414.937 2.238 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 20207919 JZZLFVWJWUTYGQ-KGENOOAVSA-N 401.488 2.476 50 40 HEGB O=C1OC(=O)[C@@H]2C3C(c4ccccc4)=C(c4ccccc4)C([C@@H]12)[C@H]1C(=O)OC(=O)[C@H]31 77904509 ADQKECWZKSJLHN-CVUDOADXSA-N 400.386 2.489 50 40 HEGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 408788719 GDWXEHJJAPMGQE-RCCKNPSSSA-N 419.503 2.319 50 40 HEGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3O)CC2)c1 409004425 CVDFGFZGIHFJIH-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB COC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 3526509 ZZLMRTWYOHIGPQ-VCHYOVAHSA-N 423.403 2.369 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 3560859 LNUFWUKBAAIWRO-UHFFFAOYSA-N 409.895 2.445 50 40 HEGB CC(C)(C)OC(=O)NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 17093963 UWLPTUUPCXSJOD-UHFFFAOYSA-N 424.508 2.004 50 40 HEGB N#CCC(=O)N/N=C/c1cc(Br)c(O)c(I)c1 59140157 OLDWCBNCJRSMGY-LHHJGKSTSA-N 407.993 2.123 50 40 HEGB C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 253505206 BATUORYJCLTZTR-ORGNOSAQSA-N 422.610 2.354 50 40 HEGB Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NC(=O)CCl)cc21 408531646 KZLVCGKKAIJUSX-UHFFFAOYSA-N 413.909 2.381 50 40 HEGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408905902 ASEUOSMQPWRARP-ITRAFESCSA-N 404.448 2.290 50 40 HEGB Cc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 4904822 IYXJDZLDYZMOBQ-HNNXBMFYSA-N 402.248 2.324 50 40 HEGB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408679464 FFWFSUURQDLWJG-IZIREBJPSA-N 411.208 2.113 50 40 HEGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1O[C@@H](C)C(=O)O 409011690 HEFFRXXESXUMRY-QOJWJBQSSA-N 418.475 2.196 50 40 HEGB Cc1c(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409075818 UNYGVFLYLSAADR-KSEXSDGBSA-N 420.360 2.224 50 40 HEGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 6355283 QASTWLUGMWSZLL-IAGOWNOFSA-N 415.515 2.452 50 40 HEGB CCc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408686851 SKZLCACFAWNPNF-IHXMYUSMSA-N 422.275 2.302 50 40 HEGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(I)c1 408774854 DETLQMCMMWZGAA-WZUFQYTHSA-N 414.199 2.186 50 40 HEGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2c(Cl)cccc2Cl)cc1 409007521 XIVLREDERZHLIY-UHFFFAOYSA-N 402.303 2.483 50 40 HEGB COc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1NC(C)=O 7380435 FCEYGMYKEPVYJN-UHFFFAOYSA-N 417.443 2.332 50 40 HEGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)COc2cccc(Cl)c2)c2ccccc21 13598364 QHCHUTHPDPHJOH-NMWGTECJSA-N 415.833 2.149 50 40 HEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 59386517 KSJDPIWLZCMSNB-CIAFOILYSA-N 401.419 2.200 50 40 HEGB Cc1ccccc1NC(=O)/C(C#N)=C\[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408745381 REKXTPKARQTTKK-QBOMHBFWSA-N 404.451 2.448 50 40 HEGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)cc1C 409264903 GYNZJPPGXMPTTN-FSJBWODESA-N 408.458 2.050 50 40 HEGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CC(C)(C)CC2=O 4517061 YSZFSQZCMHKVFL-HSZRJFAPSA-N 421.453 2.059 50 40 HEGB COc1cc(C)ccc1C(=O)N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408762137 NFVHJJRUZDIIAZ-OLIBUNOHSA-N 424.482 2.092 50 40 HEGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)cc1OC 2338352 IRTAUELURHXOGD-LJQANCHMSA-N 411.458 2.429 50 40 HEGB COc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 7814507 OLLBKPAFOOIWRZ-UHFFFAOYSA-N 419.909 2.442 50 40 HEGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 58912164 PQUGXCPNWAKQIW-TYLRVVQJSA-N 402.882 2.493 50 40 HEGB COc1cc(C)ccc1C(=O)N/N=C\[C@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408762141 NFVHJJRUZDIIAZ-VBHHZLGVSA-N 424.482 2.092 50 40 HEGB CN(c1ccc(C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1)S(C)(=O)=O 409138286 ZOEUEBRBBWWCRV-RGVLZGJSSA-N 419.528 2.341 50 40 HEGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6506768 CBIPHHQNHXXZQI-UHFFFAOYSA-N 405.414 2.226 50 40 HEGB CC(=O)c1cccc(N/C=C2\C(=O)N(CCCN3CCCC3=O)C(=O)C(C#N)=C2C)c1 9423409 FMXAPDVLAUZINA-ZHZULCJRSA-N 420.469 2.406 50 40 HEGB COc1cc(OC)c(/C=N/NC(=O)CC2(C)OCCCO2)cc1Br 59426572 MKXSRRMQMYNFSA-VCHYOVAHSA-N 401.257 2.460 50 40 HEGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408743267 VNXLAMYQLQQQGN-LKKXKRCMSA-N 414.874 2.428 50 40 HEGB O=C(NN/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=S)N=C1O)c1ccncc1 17147408 WXMXQNLLNLTVEQ-UKTHLTGXSA-N 401.835 2.142 50 40 HEGB COC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@@H]3[C@H](Br)[C@@H](Br)[C@@H]23)[C@H]1C(=O)OC 254685801 ORAZXYAVSPPWHK-DJDLSKLQSA-N 408.086 2.154 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1cccc2ccccc12 408532743 IWKJRHCSHXSRSX-AVRHGTRPSA-N 418.453 2.439 50 40 HEGB COc1ccccc1-n1nc(C(=O)N/N=C\c2cccc(C)c2)c(C)c(C#N)c1=O 409054373 JGDCYEZSAYNBAB-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(I)cc2)cc1 3083917 DFWFDEOIPHQANN-RGVLZGJSSA-N 421.238 2.366 50 40 HEGB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)Cc1ccccc1 4700423 NBPMFLKRDUVWFN-UHFFFAOYSA-N 410.257 2.339 50 40 HEGB CC(C)=C(NC(=O)c1ccccc1)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 4855223 WYXNUEPTLZDTPE-UFFVCSGVSA-N 410.386 2.498 50 40 HEGB Cn1nc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2c1=O 9389732 UIRUVQGZJVDKLC-UHFFFAOYSA-N 421.240 2.080 50 40 HEGB C[C@@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1(Br)Br 1737996 RLUVOTYROZAWBL-NSHDSACASA-N 421.045 2.252 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 6544452 BGSLYAPIQJQQQZ-FYJGNVAPSA-N 405.451 2.161 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)c(C)c2)c1 6945523 YEAOBCLPHZREES-UHFFFAOYSA-N 403.504 2.409 50 40 HEGB C[C@H]1CCc2sc(C(=O)NNC(=O)Cc3csc(N4CCCC4=O)n3)cc2C1 8023304 BUJAAYDMXTYMAA-NSHDSACASA-N 418.544 2.460 50 40 HEGB O=C(CCC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC(=O)Oc1ccc([N+](=O)[O-])cc1 221024513 XPEADWZJAVFZCZ-UHFFFAOYSA-N 418.314 2.337 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c(C)c1 408685983 QTYSZYSCVHJBJF-BXLNKUBBSA-N 422.275 2.356 50 40 HEGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)[C@H]1COc2ccccc2O1 408830997 UHKICGUGRGLNCU-JHXRPTDYSA-N 423.469 2.368 50 40 HEGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)c1C 408908728 YHCCPEZHPPHZHX-YBFXNURJSA-N 404.448 2.128 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 409266701 KXCCPYIFKNYLOG-OHHQFBAHSA-N 410.474 2.377 50 40 HEGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)COc1ccccc1C#N 9665674 LFODSLQJGXIWFC-GFCCVEGCSA-N 418.247 2.314 50 40 HEGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)OC 33305906 LTCPRCJOZLEXTJ-MTJSOVHGSA-N 415.402 2.238 50 40 HEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 408906428 JGXIXXIBBYXLID-WMRWHDLOSA-N 414.418 2.411 50 40 HEGB CSCC[C@@H](C(=O)NNC(=O)c1ccccc1F)N1C(=O)c2ccccc2C1=O 3348299 ZPMCSBWOYOVWDP-INIZCTEOSA-N 415.446 2.005 50 40 HEGB Cc1cc2c(c(=O)n1CCO)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 4851038 KIXNXJMMLDLJPD-OAHLLOKOSA-N 402.248 2.130 50 40 HEGB COc1ccccc1/C=C/C=C1\C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C 5528801 SFHDRPRWWBFOTO-XXNIAMIOSA-N 412.467 2.031 50 40 HEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1[N+](=O)[O-] 7928526 MOOYAKHILFTJHK-LBPRGKRZSA-N 416.821 2.371 50 40 HEGB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccncc1 13016266 SZQXIUNRCXOZEH-HNNXBMFYSA-N 406.895 2.048 50 40 HEGB COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)NCC(F)(F)F)c1C 96291555 ZFVSWPROGJSAPA-FCGPPKDQSA-N 400.401 2.014 50 40 HEGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)cc1 409061956 KLXBOTPZPLUWLI-MSXFZWOLSA-N 405.389 2.324 50 40 HEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)c1C 409157191 QGRJXMGHDKTBPE-ZVHZXABRSA-N 422.485 2.393 50 40 HEGB C[C@]1(c2cccc(NC(=O)NNC(=O)c3cc(-c4ccccc4)[nH]n3)c2)COC(=O)N1 1674583587 RZGFVBHWKYAGBT-OAQYLSRUSA-N 420.429 2.498 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 6428448 PPMZDNFNECWZRK-ZMOGYAJESA-N 414.437 2.210 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 52411107 APOPLMPCAUPVBP-GFCCVEGCSA-N 402.794 2.062 50 40 HEGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 59959639 BHVVYTSWMUCXRA-YSGZUTGPSA-N 424.501 2.165 50 40 HEGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1 408730836 JDDCCYOVCNDTSE-FRKPEAEDSA-N 412.269 2.048 50 40 HEGB O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)C(O)(c1ccccc1)c1ccccc1 408748028 XEUMUIIGZSAPMB-LPYMAVHISA-N 407.382 2.392 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 408872319 CYTISVPKJCENBT-KGENOOAVSA-N 401.488 2.476 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1cccc(Cl)c1Cl 408926523 UJVGHZYPDSGWSX-DJKKODMXSA-N 401.275 2.305 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccccc3C)c(=O)c(C#N)c2C)c1 409071888 QFGSCQDQGPSNHQ-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 2442168 XNQYFRPUGZFFIT-KEBDBYFISA-N 408.447 2.287 50 40 HEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 5269090 CKSNRRXRGQOFTD-UHFFFAOYSA-N 405.439 2.430 50 40 HEGB CS(=O)(=O)[C@@H](I)C(=O)c1ccc(Br)cc1 96517904 PJHSIOOMOMKCEY-SECBINFHSA-N 403.035 2.438 50 40 HEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408906245 DJZHBSOHRFMUAR-QQHUYRGFSA-N 416.503 2.340 50 40 HEGB COc1ccc(OCC(=O)N/N=C(/c2cccc([N+](=O)[O-])c2)c2nccn2C)cc1 4864372 DTJPXSWPWBWUBX-NMWGTECJSA-N 409.402 2.285 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 408740498 GMEATHRJBNKTRJ-SCDDIDHTSA-N 418.837 2.259 50 40 HEGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)c(C)c1 409254624 XYBODXMCCAQVAW-WYMPLXKRSA-N 422.485 2.358 50 40 HEGB O=C(CCNC(=O)Nc1ccccc1)NNC(=O)COc1cccc(C(F)(F)F)c1 8922813 UFSADUOBHOAEPV-UHFFFAOYSA-N 424.379 2.443 50 40 HEGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3cc(OC)cc(OC)c3)CC2=O)c1 12985283 KHXRBNTXVITKGG-INIZCTEOSA-N 411.458 2.080 50 40 HEGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1c[nH]c(=O)c(Br)c1 78877927 UHHWAQDEJQLSDL-UHFFFAOYSA-N 416.684 2.344 50 40 HEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 101312318 NWXPMZNYVWKVQH-SGVFRHMUSA-N 423.741 2.289 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 409249294 HFIUQFROVXESLP-OHHQFBAHSA-N 410.474 2.377 50 40 HEGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(SC)cc2)cc1OC 1776375 PWFCIOYRBDGXKU-LPYMAVHISA-N 401.488 2.235 50 40 HEGB O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 2551583 ACDWXMYERMUAAB-UHFFFAOYSA-N 400.435 2.124 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 6376314 URBDIYVURALBIH-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)NNC(=O)C1CC1 12763213 BNKAXEWJJGWUNN-VIFPVBQESA-N 406.533 2.043 50 40 HEGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 16479504 CSVZPLCNBGNRBR-HZHRSRAPSA-N 408.483 2.423 50 40 HEGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 7842988 KWWXCVRPDPCASC-UHFFFAOYSA-N 407.879 2.199 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)s1 12779634 GDNQMFMXPAYUNI-GFCCVEGCSA-N 422.304 2.320 50 40 HEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 38188760 DUJJMJLNORRLOK-VXLYETTFSA-N 410.346 2.217 50 40 HEGB CN(c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1)S(C)(=O)=O 409144489 ODTWYXHIDXMKRP-VCHYOVAHSA-N 410.839 2.408 50 40 HEGB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NNC(=S)NCc1ccccc1 7778577 AWQIZMVRDMZXGM-KRWDZBQOSA-N 420.485 2.415 50 40 HEGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc1 1095253 FVJOPNXGFOAQAO-ZMOGYAJESA-N 409.490 2.171 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)cc1 6879455 SUKHZUWGNNQITK-ZVHZXABRSA-N 410.474 2.243 50 40 HEGB O=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)[C@H]1COc2ccccc2O1 12907807 YWUXOCFPVZQKND-SECBINFHSA-N 409.272 2.204 50 40 HEGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N3CCCCC3)cc2)cc1 58874038 GKESNBNLCGSSNW-BUVRLJJBSA-N 422.485 2.475 50 40 HEGB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 408679435 FBBNIVVCRBOSLA-LHVLRZJLSA-N 422.275 2.356 50 40 HEGB COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1OC 1633110 RWIZYFRKHLJFKW-QZTJIDSGSA-N 417.849 2.498 50 40 HEGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1c(S)nnc1-c1cccs1 12821881 YBMZSLHJAUXNSS-JTQLQIEISA-N 421.479 2.049 50 40 HEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 44292050 BKNPBEPDJKGQAT-UHFFFAOYSA-N 411.867 2.103 50 40 HEGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)c(C)c1 409270608 GEVFIISESRFJFB-FSJBWODESA-N 408.458 2.050 50 40 HEGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)cc1OC 409318181 VAQXXHDZLXRJRB-YVNNLAQVSA-N 405.838 2.375 50 40 HEGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3cccs3)n2C)cc1 6787056 QUEYICOBZMUGHZ-UHFFFAOYSA-N 403.489 2.106 50 40 HEGB O=C(CCc1ccc(F)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12741685 CDGRTEGXEYBKNK-UHFFFAOYSA-N 419.478 2.004 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1OC 59515655 RQSRLBOOJOGVIG-LPYMAVHISA-N 413.430 2.366 50 40 HEGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)c1 409266149 OZAMMPDJLVAWPF-FSJBWODESA-N 408.458 2.050 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC 6355439 OKNRGISPVJMPDY-FYJGNVAPSA-N 419.503 2.173 50 40 HEGB N#C/C(C(=O)N1CCOCC1)=C1/N=C(NC(=O)c2ccccc2F)c2ccccc21 13811669 UYPXBRWQVWVFEU-ZPHPHTNESA-N 404.401 2.109 50 40 HEGB O=C(NN/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=S)N=C1O)c1ccncc1 34236419 WXMXQNLLNLTVEQ-LCYFTJDESA-N 401.835 2.142 50 40 HEGB COc1cc(C(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)cc(OC)c1OC 61882348 PXYAUIIZIFQHDD-STZFKDTASA-N 422.434 2.163 50 40 HEGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2)cc1 408755768 PFBMVOJHPMEQIR-NBVRZTHBSA-N 421.453 2.478 50 40 HEGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc2c(c1)OCO2 3118534 AFUZDKWDTPYAMR-DNTJNYDQSA-N 404.220 2.058 50 40 HEGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nc[nH]n1 5670854 BRNQYQYZZCTOTC-UBKPWBPPSA-N 405.168 2.499 50 40 HEGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)NCC(C)C)=C2C#N)cc1 6306832 ZNNUIQCFIYTXRU-OAHLLOKOSA-N 401.488 2.317 50 40 HEGB COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 6583346 OSBFYAJJALYDEN-RCCKNPSSSA-N 401.488 2.246 50 40 HEGB CCCn1c(O)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(=O)c2ccccc21 6593841 PHGBHTAHJDREKU-UHFFFAOYSA-N 410.386 2.100 50 40 HEGB O=C(NN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1cccnc1 95115771 MVPVZFPXTKMYSM-IBGZPJMESA-N 402.410 2.440 50 40 HEGB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)/C(C#N)=C(/C)N 104802006 ZAROZQHHFVKEAD-QKXCFHHRSA-N 409.895 2.060 50 40 HEGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(C)s3)nnn2-c2nonc2N)cc1 2415394 YAPWOADTBLKXIX-AWQFTUOYSA-N 408.447 2.342 50 40 HEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OC 6349809 JPMVGHWQFWOXMF-WSDLNYQXSA-N 413.430 2.359 50 40 HEGB COc1ccc(C(=O)NNC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12494237 RNSZPFWAIKWWNC-UHFFFAOYSA-N 418.500 2.163 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)ccc1O 408775530 HYRQQDMIFXMFKP-FYJGNVAPSA-N 419.503 2.270 50 40 HEGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2)c1CSc1ccccc1 2397093 OCUZFEAUFHOPMC-SRZZPIQSSA-N 420.458 2.289 50 40 HEGB Cc1nc(CC(=O)N/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cs1 3412963 SSZGQHPCVINNBO-DJKKODMXSA-N 404.473 2.052 50 40 HEGB Cc1c(Br)c(C(=O)NNC(=S)N[C@H]2CCC[C@H](C)[C@@H]2C)nn1C 6526695 UMLOQIIXEDLSHJ-QXEWZRGKSA-N 402.362 2.425 50 40 HEGB Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1 1869280 VYNAUYKLIQWGGT-NGYBGAFCSA-N 420.179 2.136 50 40 HEGB CCOC(=O)/C(C#N)=C(/c1ccc([N+](=O)[O-])cc1)C(C(=O)OCC)C(=O)OCC 4293336 RUNZVUFBJGRAPO-PFONDFGASA-N 404.375 2.177 50 40 HEGB Cc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 8414369 LNHFBTYNDVBXQF-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB COc1cc(/C=C/C(=O)OCC(=O)NNC(=O)c2cccs2)cc(Cl)c1OC 9882527 ICJMBLMRTLSRCH-AATRIKPKSA-N 424.862 2.436 50 40 HEGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc(Cl)cc2)=N/NC(=S)NN)s1 16957889 ICMMDLUKXDNWCM-OWTPYQNBSA-N 423.955 2.323 50 40 HEGB Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 19890685 GGPPQZDDVHIXLI-FQEVSTJZSA-N 424.476 2.236 50 40 HEGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1O 2353828 TUXPHAKESXIOJS-ODGHKMFZSA-N 407.220 2.453 50 40 HEGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(O)c(/C=N/NC(=O)c2ccncc2)c1 4603562 ZLJSTLAPGJLJFC-DWGHPKEWSA-N 402.414 2.018 50 40 HEGB COc1cc(OC)cc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)o2)c1 4928068 XZKPRGHZNBWJLX-UHFFFAOYSA-N 414.443 2.307 50 40 HEGB CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)NC2CCCCC2)cc1 5316085 YLROSSBUSBONGH-ZVHZXABRSA-N 416.478 2.133 50 40 HEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1c(=O)oc2ccccc21 9884223 QZVHYJJSZJSXKH-UHFFFAOYSA-N 408.439 2.488 50 40 HEGB O=C(NN[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O)c1c[nH]c2ccccc12 35682783 IHSIPUFPWSTKTO-GOSISDBHSA-N 407.474 2.445 50 40 HEGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(=O)O)cc1)c1ccccc1 408977020 CCZNTTJLNCNXMS-ZFJBLLOBSA-N 413.430 2.478 50 40 HEGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)c1C 409167959 KEZFUHYZYLVXSM-FSJBWODESA-N 410.474 2.296 50 40 HEGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)c1 8369951 BNIBOBGEFTYVOD-FSJBWODESA-N 410.474 2.296 50 40 HEGB O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccc(F)cc1 8986606 SLDLKJIXHRWFDS-UHFFFAOYSA-N 424.409 2.278 50 40 HEGB C=CCOc1ccc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 13806162 UTOMPKXJHBFMHE-GYXHFJGISA-N 412.467 2.031 50 40 HEGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409017407 WKYXZFZIYRJGBC-OEAKJJBVSA-N 411.458 2.005 50 40 HEGB O=C(O)[C@H]1CC[C@@H](SS[C@H]2CC[C@@H](C(=O)O)C[C@@H]2[N+](=O)[O-])[C@@H]([N+](=O)[O-])C1 5188121 YTXIIWPSMIAUGA-ROUNHJLISA-N 408.454 2.165 50 40 HEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 6606968 FXBLMBOCEFRVEM-RGVLZGJSSA-N 418.475 2.291 50 40 HEGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)c1 6610134 POLVNXRINXEWSL-FSJBWODESA-N 410.474 2.296 50 40 HEGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc(O)cc1 8820234 CLYZDGNGCWIMIU-MDWZMJQESA-N 419.509 2.116 50 40 HEGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28214290 OKGIDOAIXRVBGQ-HZHRSRAPSA-N 400.523 2.450 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408688631 WKEITTXGDDEAJV-ZZIDHEKVSA-N 408.248 2.048 50 40 HEGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)[C@H]1COc2ccccc2O1 9013396 DBYNHDUFIGYRSS-ZMNVVMRHSA-N 422.191 2.353 50 40 HEGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)OC)c(OC)c2)cc1 10475970 PZZUUFVWUWWFBJ-LPYMAVHISA-N 400.431 2.339 50 40 HEGB CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 33696566 JLWAXBGCWDGYCD-BKUYFWCQSA-N 411.418 2.154 50 40 HEGB C=CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 39986602 JQOSJWPYQMSFCW-STZFKDTASA-N 401.488 2.331 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1Cl 408773235 UEJVKVLKLJFPDU-KEBDBYFISA-N 423.878 2.263 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 5631231 GIFGIDQDYRCHII-FSJBWODESA-N 414.849 2.110 50 40 HEGB CC(C)C(=O)NNC(=O)[C@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12763232 XNUJASBAWJDBFI-JTQLQIEISA-N 408.549 2.289 50 40 HEGB O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccccc1 408643671 BHDOVJXDOIYOKM-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 409268314 YXUHQPIIMGWPHE-DXRSZSRVSA-N 410.474 2.377 50 40 HEGB CCOc1cc(/C=N/NC(=O)Cn2cnc3sc(CC)cc3c2=O)ccc1O 958376 GTJAXDNTOIUMJX-ZVBGSRNCSA-N 400.460 2.275 50 40 HEGB CC(C)c1c(C(=O)N/N=C/c2cccc(Cl)c2Cl)nnn1-c1nonc1N 2387367 CTEQMKULCVMZJV-KPSZGOFPSA-N 409.237 2.427 50 40 HEGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)c1 6867511 ITDYRIMUKHIVSC-ZMOGYAJESA-N 410.474 2.235 50 40 HEGB COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 20029224 OCUCXWLHEUOTIN-QFBILLFUSA-N 405.458 2.068 50 40 HEGB COC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)OC)[C@H]1[C@H](Br)[C@@H](Br)[C@@H]21 254685805 ORAZXYAVSPPWHK-ZCKFKEIMSA-N 408.086 2.154 50 40 HEGB COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 12137278 HAEGKUKODPQWOS-UHFFFAOYSA-N 408.277 2.407 50 40 HEGB O=C(NNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc(F)cc1 22023904 QJBSBUTYDTUOEC-UHFFFAOYSA-N 402.403 2.467 50 40 HEGB CCN(CC)c1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101301557 GCXVNTWGAZXBGR-SYWZAZHRSA-N 415.968 2.373 50 40 HEGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCc3ccc(C)o3)c2c1 13895566 XDHLKNMFLJLIPV-UHFFFAOYSA-N 410.474 2.473 50 40 HEGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)OC)C(O)=N1 16971855 SYDMTBUTJSQBKL-ZIAGYGMSSA-N 405.388 2.079 50 40 HEGB O=C(O)c1ccc(P(=O)(c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc2)cc1 100155716 HINHOAXLSUHLCR-UHFFFAOYSA-N 410.318 2.421 50 40 HEGB O=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)Nc1ccc([N+](=O)[O-])cc1 408726719 UUWTZIOCAYXPKY-UHFFFAOYSA-N 413.442 2.129 50 40 HEGB Cc1ccc(C(=O)NNC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 987378 UJPPKJJRKJEWHM-UHFFFAOYSA-N 409.471 2.411 50 40 HEGB CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)COc2ccccc2F)cc1 4959960 QJYNJGZALLSKJK-UHFFFAOYSA-N 417.437 2.055 50 40 HEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1 19640927 DDWUAOXUNNJXBK-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB COc1cc(F)c(S(=O)(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1OC 26530503 XUONQBIVBAMNMF-UHFFFAOYSA-N 418.830 2.128 50 40 HEGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)cc1 52602656 MOCYYRVPQTWGOQ-ZKTNYTPDSA-N 413.499 2.313 50 40 HEGB Cc1ccc(NC(=O)NNc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)cc1 408724692 GUSSTPBQMXFLIG-UHFFFAOYSA-N 420.477 2.331 50 40 HEGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)ccc1OCc1ccccc1 408970955 FFDXNOFQDZFLIP-CVKSISIWSA-N 418.453 2.436 50 40 HEGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 409026764 XOLANKXOOALACG-XMHGGMMESA-N 404.448 2.210 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 409160562 RLKNLLJUVASBJH-AUEPDCJTSA-N 420.828 2.083 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(N)=O 409256327 NRNAYXIMPSOTQX-YVNNLAQVSA-N 405.838 2.375 50 40 HEGB N#CC1=C(N)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(F)cc1 704335 OLSDVFIWUQYFJI-MMWCCMKASA-N 418.428 2.139 50 40 HEGB Nc1nonc1C(=O)N/N=C/c1cc(Cc2ccccc2)cc(Br)c1O 1104831 HPPFEJXNPVUVSV-AWQFTUOYSA-N 416.235 2.475 50 40 HEGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1ccc([N+](=O)[O-])o1 3096806 LFESRIQRHSTJGL-GIDUJCDVSA-N 413.140 2.388 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 3470372 FOWCKOMODAKLCA-KGENOOAVSA-N 415.471 2.022 50 40 HEGB Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9159488 NHJZQHICYBEZPX-OAQYLSRUSA-N 414.381 2.413 50 40 HEGB C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 19954775 ANNMIHLCMKEUFE-XMHGGMMESA-N 404.448 2.210 50 40 HEGB O=C1[C@H]2[C@H](C(=O)N1c1nccs1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 102631911 AHPXHHAPHJBUJZ-JTMCIWCCSA-N 406.099 2.425 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 408781732 DGYUANQTHVTKRU-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB Cn1c(=O)n(C)c2cc(/C=N\NC(=O)c3cc(Br)ccc3O)ccc21 409083006 UHWZUALDAXZYGS-OCKHKDLRSA-N 403.236 2.109 50 40 HEGB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@H](CI)C2 2056225353 MJNVMTDJGOBEOA-LBPRGKRZSA-N 422.288 2.076 50 40 HEGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(N(C)C)cc3)C2=O)cc1 18265606 VXMWLKMNMXKTJQ-IBGZPJMESA-N 410.474 2.108 50 40 HEGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 6924600 MKJLJURJUPUTQF-YBFXNURJSA-N 404.448 2.128 50 40 HEGB CC(C)(CCl)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 12310270 ZFRAAPBANSELOK-UHFFFAOYSA-N 417.876 2.263 50 40 HEGB O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 12905245 YSSOLJKXYHIXEY-LBPRGKRZSA-N 413.908 2.016 50 40 HEGB Cc1ccc(OCc2nc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cs2)cc1 25050798 DEESRFAUIOTCRC-CQSZACIVSA-N 409.533 2.136 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 408780385 BPQACMVWZFUFBW-CIAFOILYSA-N 419.503 2.237 50 40 HEGB COc1ccc(C(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408962066 PMKBSPUBUPWXBS-ZVHZXABRSA-N 420.469 2.273 50 40 HEGB CCOC(=O)[C@H]1C(=O)NC(SCC(=O)OC)=C(C#N)[C@@H]1c1ccccc1Cl 2376842 BUNUZMSJCOITEI-LSDHHAIUSA-N 408.863 2.374 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 20207730 QEOSRLVCQVUQSB-KGENOOAVSA-N 401.488 2.476 50 40 HEGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)s1 408731734 PLBGXSHZOSWSGL-VXLYETTFSA-N 403.464 2.478 50 40 HEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1633126 UJKDDLCIUWQQGU-CVEARBPZSA-N 402.794 2.389 50 40 HEGB Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)N2CCOCC2)c2ccccc21 2341228 XCXLJRFWFFWXOV-VXPUYCOJSA-N 400.438 2.279 50 40 HEGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)c1 408772776 MZLAVNWTSBMZCC-FYJGNVAPSA-N 402.520 2.286 50 40 HEGB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1 4817646 MUDPVQXQYDFFAQ-RDTXWAMCSA-N 416.503 2.013 50 40 HEGB C[C@](O)(CC(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(F)(F)F 7948875 OJSBLPZUJPKHKK-HNNXBMFYSA-N 405.373 2.343 50 40 HEGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21 12362656 MHPOOGANKRMSLR-QQTULTPQSA-N 417.425 2.121 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1ccccc1 20207446 BQKNAOCISSVIIV-WOJGMQOQSA-N 410.293 2.365 50 40 HEGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 26966707 IQGFLXYWWFVWBW-SSUFTNFISA-N 401.400 2.065 50 40 HEGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)c1ccccc1 4523573 JXGUVCGNSCOHAW-SYXCRGJESA-N 422.485 2.015 50 40 HEGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 4525204 RWPIRIHGBWEWGM-UHFFFAOYSA-N 400.391 2.173 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1CC 8088417 IUCDRUIELLGVOF-ZVHZXABRSA-N 408.458 2.019 50 40 HEGB CCN(CC)c1ccc(C(=O)NNC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 12536453 VHTZFMWDKBATLB-UHFFFAOYSA-N 407.474 2.012 50 40 HEGB COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)ccc1OC(C)=O 16321831 PBPZKEKIGQMPFV-BYWZACNXSA-N 409.442 2.087 50 40 HEGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)cc1 32999582 CURDANFIZNLPSW-HUUCEWRRSA-N 414.462 2.210 50 40 HEGB COC(=O)c1ccc(/C=N\NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 33417225 GXFOTVMDSXVPOF-MTJSOVHGSA-N 417.487 2.006 50 40 HEGB Cn1nc(-c2ccc(C(=O)NNC(=O)c3ccccc3O)cc2)c2ccccc2c1=O 72370082 BDURRGDCFQTHJO-UHFFFAOYSA-N 414.421 2.381 50 40 HEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20211696 UMFSLMSFKKUXLE-LPYMAVHISA-N 420.466 2.091 50 40 HEGB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 408687457 ULTKCYUOIQMSHD-BETFMMNMSA-N 422.275 2.356 50 40 HEGB C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccco1 695842 MPZJDBPCWVNSKW-RGVLZGJSSA-N 422.474 2.093 50 40 HEGB COc1cc(/C=N/NC(=O)c2nc(Cn3nc(C(F)(F)F)cc3C)no2)ccc1O 36614873 IORABCCUDMSAOG-QPSGOUHRSA-N 424.339 2.120 50 40 HEGB CCOc1ccc(C(=O)NNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc1 48290763 VBGGDHYYYXSHLD-MRXNPFEDSA-N 417.409 2.451 50 40 HEGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(O)c(O)c1O 1433703 CZYIMHIUIDKNHL-CNHKJKLMSA-N 411.208 2.104 50 40 HEGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)Cc2cccs2)cc1OC 2316480 VQECAMFJPYUKFW-SOFGYWHQSA-N 405.501 2.043 50 40 HEGB O=C(NNC(=O)c1ccccn1)c1cccc(NS(=O)(=O)c2cccs2)c1 40142842 LIHSZAIDMUQJBW-UHFFFAOYSA-N 402.457 2.019 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 6312899 TYUACWZXSFOXFM-FSJBWODESA-N 414.849 2.110 50 40 HEGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 20213479 BPQUEKJHBIPEMP-DEDYPNTBSA-N 400.485 2.489 50 40 HEGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(I)cc2)cc1 44289077 FHSBRWAXUIVSFX-UHFFFAOYSA-N 416.240 2.223 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)c1 59434046 XYJYKKVTXWMWPV-JJIBRWJFSA-N 422.485 2.059 50 40 HEGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1)Nc1ccccc1Cl 409267337 TVWUZDQHFMHAQJ-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cccnc2)c1C#N 27519388 OBQCRTKZAXIHIJ-ODCIPOBUSA-N 418.251 2.095 50 40 HEGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 36245315 WWESNWCTXHZHLM-QGMBQPNBSA-N 404.335 2.055 50 40 HEGB Cc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408677446 BXOYHOBLKUYGHQ-QAKAVFCJSA-N 408.248 2.048 50 40 HEGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(F)cc3)o2)cc1 9704322 NRQZMVXJDHAHKM-SSDVNMTOSA-N 417.418 2.262 50 40 HEGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1Cl 13655819 GMVBVKAVXXEFJU-CJAAZZPWSA-N 405.863 2.032 50 40 HEGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 8571298 RYOXJPYMORGRKV-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB COc1ccc(/C(C)=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1OC 20171107 QQNOHBDSBJMZHU-MOHJPFBDSA-N 410.518 2.362 50 40 HEGB C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(O)cc4O)c(=O)c23)C1 954718 CMORMCNHGPCPCO-CEWLANGVSA-N 412.471 2.144 50 40 HEGB O=C(NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 6509657 KVCKTRWQHCORQN-UHFFFAOYSA-N 411.418 2.300 50 40 HEGB CCC[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 6561584 JLGIKEDJVZXYFX-LJQANCHMSA-N 417.531 2.347 50 40 HEGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 20060403 IMBLCYRQNJJMRY-RCCKNPSSSA-N 419.503 2.400 50 40 HEGB CCn1nc(C(=O)NNC(=O)[C@@H](C)SCc2ccccc2)c2ccccc2c1=O 40142831 MZFHDJKCRUZNKO-CQSZACIVSA-N 410.499 2.499 50 40 HEGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 2076788 ZVACSDBZXMSBJM-UFWORHAWSA-N 420.219 2.275 50 40 HEGB CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 32755076 FRSWAPCOOQUNOG-OAHLLOKOSA-N 400.504 2.128 50 40 HEGB O=C(Cc1ccccc1)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32795077 UXEKLBXMMURLPC-CQSZACIVSA-N 416.275 2.192 50 40 HEGB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408689478 YGUQZKOUTLRMLB-SPGVSREJSA-N 422.275 2.356 50 40 HEGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(O)c3)CC2)cc1OC 409005684 JODQEXINADXIKZ-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB CCOc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1O 958266 MDINPZRUTILKHV-ODCIPOBUSA-N 400.460 2.329 50 40 HEGB CN(Cc1c(C(=O)N/N=C/C2CCCCC2)nnn1-c1nonc1N)c1ccccc1 9309792 WKOSXNAWRKCRPG-WSDLNYQXSA-N 423.481 2.165 50 40 HEGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)sc(C(N)=O)c1C 6825033 NLOKMPFPBPUABT-VZUCSPMQSA-N 413.411 2.216 50 40 HEGB Cc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1C 138770777 IPTOKTVFHGEPMR-UHFFFAOYSA-N 411.458 2.417 50 40 HEGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(OC)c3O)CC2)c1 409006484 OCYPLNUCEGUGCC-OEAKJJBVSA-N 411.458 2.412 50 40 HEGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 1059735 NLOCVIMDNNYCJC-SSDVNMTOSA-N 402.476 2.440 50 40 HEGB Cc1nn(CCC(=O)NNC(=S)NCc2ccccc2)c(C)c1Br 2113085 IZEKDDJNIPMHSY-UHFFFAOYSA-N 410.341 2.348 50 40 HEGB CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1ccc(C(=O)OC)cc1 15082500 UOSOGIOLRZWVET-LBPRGKRZSA-N 423.454 2.421 50 40 HEGB COc1ccc(CC(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 32795653 FKHFCXYXXBUKCI-CQSZACIVSA-N 401.850 2.092 50 40 HEGB C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C4/C(=O)Nc5ccccc54)c(=O)c23)C1 95661435 IKKJFNGEBWBFJX-NSHDSACASA-N 421.482 2.055 50 40 HEGB COc1cc(Br)c(O)c(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1 408591426 SZMOQLBPCWMLLD-IFRROFPPSA-N 422.235 2.454 50 40 HEGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408822281 LKWXDZWGSCGZHX-HAWKZNDISA-N 422.485 2.085 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O 2419708 VGQZXCDYJRBNOS-WYMLVPIESA-N 408.389 2.295 50 40 HEGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 6254566 MQTWZAZTWGTYOA-OLZOCXBDSA-N 409.870 2.406 50 40 HEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1O 9355281 IARGLSRSIOFOSW-QGMBQPNBSA-N 404.335 2.055 50 40 HEGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 13922017 UMZHYDREQPTZLD-DJKKODMXSA-N 422.235 2.261 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)ccc1O 409027739 PZNOAWNXLGGJHS-FYJGNVAPSA-N 419.503 2.270 50 40 HEGB COc1ccc(C(=O)NC(=S)NNC(=O)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 3297181 FYFJBUXKPMMDCM-UHFFFAOYSA-N 413.415 2.034 50 40 HEGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCC(N)=O 7993660 QJHAJQQSVPMIOZ-ZVBGSRNCSA-N 407.879 2.455 50 40 HEGB N#C/C(C(=O)CN1CCC(C(N)=O)CC1)=C1\NC(c2ccc(Cl)cc2)=CS1 15905847 GOFQQVMZKWOUHU-CYVLTUHYSA-N 402.907 2.476 50 40 HEGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 19954139 WAVWDJLJMZTENJ-RCCKNPSSSA-N 402.520 2.449 50 40 HEGB CC/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 20207309 CXGGGSRZUSXZRN-HEHNFIMWSA-N 419.503 2.400 50 40 HEGB Cc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccccc1 408862213 DLVZWGCRQIYMGO-UHFFFAOYSA-N 414.531 2.388 50 40 HEGB COc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1OCC(N)=O 1095751 WBYMABNXTSEFJB-BRJLIKDPSA-N 406.442 2.275 50 40 HEGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 6983851 JUWBOYZWCTYWOS-INIZCTEOSA-N 413.474 2.047 50 40 HEGB COc1ccc(C(=O)NNC(=O)CSc2nc(C)cc(C)c2C#N)cc1OC 10266963 PORBZKPDYXQRHE-UHFFFAOYSA-N 400.460 2.141 50 40 HEGB COc1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc1Br 30791486 SBEAMUXIXWFNTP-BLGGGRMTSA-N 416.275 2.438 50 40 HEGB C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 2121827 XVNZGPIHWYWUJJ-PUFAJPFRSA-N 410.386 2.375 50 40 HEGB COc1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc(OC)c1OC 3474617 SVRVSJJOEVAEGZ-UDWIEESQSA-N 405.476 2.374 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl 6879509 LXEHBBWGRDSWHY-FSJBWODESA-N 416.865 2.334 50 40 HEGB CCc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1 8248362 MJWBTCJTWYEESJ-LBPRGKRZSA-N 409.895 2.030 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c(OC)c1 408927056 XRZYXJQGVIKPOU-GNUZOCDUSA-N 405.476 2.009 50 40 HEGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1Cl 409301753 GCPBDAXPCXNOST-ZDUSSCGKSA-N 421.906 2.279 50 40 HEGB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1cccnc1 1235806 AYHUJWIXFKLPAH-PTNGSMBKSA-N 412.496 2.134 50 40 HEGB COc1cccc(OC)c1C(=O)NC(=S)NNC(=O)c1ccc2ccccc2n1 2364907 RFTLOARXRMBJOM-UHFFFAOYSA-N 410.455 2.201 50 40 HEGB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NNC(=O)[C@@H]1COc2ccccc2O1 12770775 SRKVWQXUDNGMGK-RTRPANQVSA-N 416.817 2.112 50 40 HEGB CN1CCC(=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 20047773 CUSYBWFOKBUCJL-UHFFFAOYSA-N 418.494 2.219 50 40 HEGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 20210045 LCFACHDGZRGVMA-FYJGNVAPSA-N 419.503 2.399 50 40 HEGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc(F)c1 2239390 ZQWXPQHSWRVWOX-CQSZACIVSA-N 406.211 2.155 50 40 HEGB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 12535133 FVFSDMOZYOETCE-LJQANCHMSA-N 423.448 2.431 50 40 HEGB CCCOc1ccc([C@H]2C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)cc1OC 2266891 LGFCZHSGDZQWAF-SFHVURJKSA-N 416.430 2.282 50 40 HEGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc2c(c1)OCCO2 5273115 GUCCWXLWIILBRC-UHFFFAOYSA-N 407.220 2.060 50 40 HEGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 33926891 JNUIWQPRCAYJEW-AUWJEWJLSA-N 410.386 2.322 50 40 HEGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCCOC)c2C)cc1 58911654 HQXRNIRAKBDXQN-OEAKJJBVSA-N 400.479 2.096 50 40 HEGB CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC 59225015 GNDDALWLNJDYCY-RLGUWMIQSA-N 415.490 2.145 50 40 HEGB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O 59639412 SYVWTIBETUVMPD-DJKKODMXSA-N 416.850 2.256 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)Cc1ccccc1 6584650 HLHJFPKJFNTNOX-LPYMAVHISA-N 411.483 2.457 50 40 HEGB COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 101510167 WWIMHUJYRZFATQ-OEAKJJBVSA-N 413.430 2.366 50 40 HEGB N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)N1CCOCC1 2407971 UENHIXAGDURXDL-JQIJEIRASA-N 402.410 2.253 50 40 HEGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccco3)nnn2-c2nonc2N)cc1 2442958 CPLDQPYUCYOFLZ-SRZZPIQSSA-N 422.405 2.045 50 40 HEGB O=C(O)Cn1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c2ccccc21 5741149 AXPAQPYCUJWFMT-SCWWFSKWSA-N 418.453 2.192 50 40 HEGB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2)C1 5857003 XVPOTQVTRUHEFH-HZPDHXFCSA-N 415.515 2.428 50 40 HEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 16309141 KAEYBWJRSFQOHT-VXLYETTFSA-N 424.866 2.327 50 40 HEGB Cc1oc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1Br 20207401 HBHVSAZVBHRNIT-RQZCQDPDSA-N 414.281 2.267 50 40 HEGB Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 20503377 UBTVJPONVBAGOB-HXUWFJFHSA-N 424.476 2.236 50 40 HEGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc2c(c1)n(C)c(=O)n2C 408890261 QMARELAATSTSEE-MDWZMJQESA-N 407.386 2.339 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2CC)c1 6879482 MOPQDXVOMJQBCK-ZVHZXABRSA-N 410.474 2.243 50 40 HEGB COc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)c1 13021195 HEFUBKLYBSAVDU-HNNXBMFYSA-N 404.426 2.058 50 40 HEGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC(=O)O 59333013 MVAUCYOFHBPMBY-AQTBWJFISA-N 421.453 2.414 50 40 HEGB O=C(Cc1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408781649 DPSSCMRODZSZDS-BUVRLJJBSA-N 404.426 2.227 50 40 HEGB CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 83261020 YCMQPFIOGKAOQG-OYKKKHCWSA-N 410.474 2.317 50 40 HEGB COc1ccc(-c2ccc(/C=C3/C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)cc1[N+](=O)[O-] 108422487 FCBJQKJOSUCCSK-XNTDXEJSSA-N 423.381 2.448 50 40 HEGB CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O1 658978 QYOCZFSYVSOSDQ-SFHVURJKSA-N 416.430 2.282 50 40 HEGB COc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC 6126874 QLEYTRFVXJFVND-UHFFFAOYSA-N 409.782 2.349 50 40 HEGB COc1cccc(-c2c(C(=O)N/N=C(\C)c3cccs3)nnn2-c2nonc2N)c1 13788207 UVESSGFZGDBQDT-KEBDBYFISA-N 424.446 2.124 50 40 HEGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1O 36245317 OSRYJVWRWJPKAW-DJKKODMXSA-N 418.362 2.445 50 40 HEGB Cc1nn(C)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 2320608 MVMFJPRWPDBMRJ-UFWORHAWSA-N 403.899 2.420 50 40 HEGB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccccc1 7939860 QBPHTLADUMUOHC-UHFFFAOYSA-N 411.458 2.362 50 40 HEGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 9378896 VQXOBJUYXAFZGL-UHFFFAOYSA-N 401.430 2.145 50 40 HEGB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2)C1 12538707 XVPOTQVTRUHEFH-IYBDPMFKSA-N 415.515 2.428 50 40 HEGB CC(C)n1nc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)c2ccccc2c1=O 13008054 VJPABIQJXVLOKR-OUKQBFOZSA-N 412.471 2.213 50 40 HEGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1cc(Cl)cc(Cl)c1 223467798 GOTAIMZIKIGXRV-UHFFFAOYSA-N 418.302 2.496 50 40 HEGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccccn1 245230310 OYOUDKVZJGPDSU-LJLZDHEISA-N 400.070 2.364 50 40 HEGB NNC(=O)COc1c(Br)cc(Br)cc1Br 1500910 JRSKFPCAPXOMIB-UHFFFAOYSA-N 402.868 2.343 50 40 HEGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 25227634 XRBHKCZRNNZNHH-RCCKNPSSSA-N 419.481 2.490 50 40 HEGB O=C1CCSc2ccc(C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2N1 28717479 QQMWWEZAVMUGHF-UHFFFAOYSA-N 409.265 2.286 50 40 HEGB COC(=O)c1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Br)c2)cc1 33909528 UDEZVMSZUPEWCA-GRSHGNNSSA-N 404.220 2.325 50 40 HEGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(C)(=O)=O 408784105 RNAGQAUZKUNBMV-KEBDBYFISA-N 413.858 2.404 50 40 HEGB Cc1cc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)ccc1Br 32794904 DDSZUEZCQLNWIG-NSHDSACASA-N 406.236 2.165 50 40 HEGB COc1ccc(/C=N/NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1OC 33533239 HARJYTDCDZWATH-JJIBRWJFSA-N 410.518 2.362 50 40 HEGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 409207563 WRMZLZOKEUMPAU-WPNIOXTASA-N 406.486 2.466 50 40 HEGB O=C(NN[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 2656242 YYQNLKONDVSNMG-CQSZACIVSA-N 422.319 2.180 50 40 HEGB COC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 3335583 DURYPCCMABKFRS-NTCAYCPXSA-N 402.428 2.047 50 40 HEGB C/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 5100771 OWCLEYPFIZMIJX-FOWTUZBSSA-N 412.833 2.127 50 40 HEGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cc(Cl)ccc2C(=O)OC)C1=O 9341815 OTOQYPZUNMEYJN-GDNBJRDFSA-N 403.822 2.278 50 40 HEGB COCCNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408822642 BNLKQTYDVCUVSQ-RAXLEYEMSA-N 423.878 2.081 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 6868087 QVAGEJUBIOEHGA-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 9307657 ZQJDNPJQEASCKY-KEBDBYFISA-N 424.446 2.124 50 40 HEGB O=C(OCC1=C[C@@H](Cl)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 35464204 QUOOWFYEPMIYFF-NCXUSEDFSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1O)OCc1ccccc1 408993928 XOGBBCMSWXFLQP-DAFNMPDCSA-N 407.430 2.103 50 40 HEGB Cc1ccccc1CC(=O)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 7525859 MTJNJCSZJGMBJO-UHFFFAOYSA-N 409.467 2.047 50 40 HEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)OC)C(O)=N1 2293250 IPBNALVXJWKEQF-HUUCEWRRSA-N 419.415 2.469 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 3644022 UVXQQMQAQBYTND-WYMLVPIESA-N 408.389 2.295 50 40 HEGB O=C(NNC(=O)C1CCCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6602892 SRWMPTBDDAFFCL-UHFFFAOYSA-N 405.476 2.099 50 40 HEGB COc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccccc1 408872778 IQPXFCFLJMLJDZ-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cccc([N+](=O)[O-])c1 1953653 WSTGQAASPTWLQR-YBFXNURJSA-N 410.415 2.391 50 40 HEGB COc1ccc(CNC(=S)NNC(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1 7652672 XHCPFGLYNAQNES-LBPRGKRZSA-N 420.922 2.162 50 40 HEGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1 8088334 YSDMNBUBXIDALC-YDZHTSKRSA-N 410.474 2.241 50 40 HEGB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1C 10021507 SNWUAZXNFCOSAB-UHFFFAOYSA-N 421.837 2.080 50 40 HEGB COc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)ccc1OCc1cscn1 40069435 KBYNWMFJMVRLON-UHFFFAOYSA-N 415.475 2.005 50 40 HEGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)c1 409252934 AARANFQXGRLDPX-FSJBWODESA-N 408.458 2.050 50 40 HEGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OC)c2)cc1OC 409326964 PCJIFAPCYSFFCG-NHDPSOOVSA-N 402.403 2.330 50 40 HEGB COc1cccc(-c2[nH]nc3c2[C@@H](c2ccc(OCC(N)=O)cc2)C(C#N)=C(N)O3)c1 5149899 DLBXVARHWJMWII-SFHVURJKSA-N 417.425 2.168 50 40 HEGB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1 7939970 WIBOPNRNOPEFFY-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB Cc1cc(=O)c(C(=O)NNC(=O)c2cccnc2)nn1-c1ccccc1C(F)(F)F 12933265 OPZHPJCEFPFADF-UHFFFAOYSA-N 417.347 2.030 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C 6647963 JMWWGHZJWZETQU-ZVHZXABRSA-N 410.474 2.379 50 40 HEGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C1\C(=O)Nc2ccccc21 18285194 BPFFNSYMKXNUIZ-UHFFFAOYSA-N 419.191 2.209 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1 59501691 QKQLHNSVMKBESZ-BUVRLJJBSA-N 411.458 2.078 50 40 HEGB CCc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408686850 SKZLCACFAWNPNF-DJWYYIDESA-N 422.275 2.302 50 40 HEGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(I)c1OC 4598984 KXYLATVQDKVANX-FRKPEAEDSA-N 414.203 2.104 50 40 HEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NNC(=O)c2cccs2)c1C 8327235 WVEZTJPGCJFGGX-MHWRWJLKSA-N 414.487 2.488 50 40 HEGB Nc1nonc1-n1nnc(C(=O)N/N=C2\CCc3ccccc32)c1-c1cccs1 9498912 HYHONESBWJSSSH-UDWIEESQSA-N 406.431 2.041 50 40 HEGB COc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1Br 13001166 ZVFAZENSVUQIHI-OAHLLOKOSA-N 407.220 2.059 50 40 HEGB CC(C)n1cc(S(=O)(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cn1 72295577 JVKHJZCYFZRANW-UHFFFAOYSA-N 404.448 2.259 50 40 HEGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)c1C 408908203 VGTPSRTZOCVHGD-LPYMAVHISA-N 414.487 2.122 50 40 HEGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(F)cc3)nnn2-c2nonc2N)cc1 2394699 BXTNTRZDKPZLHT-LSHDLFTRSA-N 406.381 2.111 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C 6497045 KCKXOYUUFOSRHF-WYMPLXKRSA-N 410.474 2.216 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 6879479 SHMRKEITNRDFCE-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB O=C(CN1CCN2CCC[C@@H]2C1)N/N=C\c1ccc(COc2ccc(F)cc2)o1 36611044 ZICLLHXCYXLWLQ-NSTHGIQOSA-N 400.454 2.228 50 40 HEGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(O)cc1 30770081 HYHXAJPXLALMPF-BKUYFWCQSA-N 413.455 2.326 50 40 HEGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 58873992 ABDMTKRJOAGZKZ-YDZHTSKRSA-N 414.437 2.162 50 40 HEGB O=C(NNC(=O)c1cccc(=O)n1CCOc1ccccc1Cl)c1ccccn1 89814518 SALGAIJARYSOHI-UHFFFAOYSA-N 412.833 2.051 50 40 HEGB CS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(Br)cc1 96519153 ZSHPPEHVARGZSO-RKDXNWHRSA-N 405.051 2.288 50 40 HEGB COc1ccccc1/C=N/NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 408764008 HTCIKUUFLREWHI-IOVUBPJKSA-N 403.504 2.457 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1OC 408906954 FGNNOTLBKOSUHB-CIAFOILYSA-N 419.503 2.237 50 40 HEGB C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 409121223 SZXDNKCQMWWFFH-XDHOZWIPSA-N 408.411 2.040 50 40 HEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)c1 409152915 LNFOLLJSWXLTPG-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB COC(=O)CCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 4616249 CNKRUCQEOLPQBK-UHFFFAOYSA-N 409.236 2.082 50 40 HEGB Cc1cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1CCCl 10104401 WDQWNCBHZKELLO-UHFFFAOYSA-N 406.273 2.398 50 40 HEGB COc1ccc(CC(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 23109360 GPGKEWHCUQHJML-UHFFFAOYSA-N 409.417 2.048 50 40 HEGB Cc1sc2nc(CSCC(=O)NNC(=O)c3ccccc3)[nH]c(=O)c2c1C 4491529 QBOGUJOBOZNGKZ-UHFFFAOYSA-N 402.501 2.296 50 40 HEGB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1cc2c(s1)CCCC2 12735175 FSEWEDMBZOYCKL-UHFFFAOYSA-N 418.519 2.033 50 40 HEGB O=C(N/N=C/c1cc(I)ccc1O)[C@@H]1COc2ccccc2O1 2293597 KWDYBKUJSLWBIW-AOVQIXHVSA-N 424.194 2.287 50 40 HEGB Cc1ccnc(N2CCC(C(=O)NNC(=O)COc3cccc4ccccc34)CC2)n1 4965947 AXFOYPGERCDPAG-UHFFFAOYSA-N 419.485 2.381 50 40 HEGB aggregator CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 19954223 BJWPDGCXRHTHIA-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 19954232 GKQUFJAEUQSBOG-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB O=C(N[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2I)OCc1ccccc1 238856746 XBTHKQKFXVBAQV-LEZGYBIHSA-N 413.211 2.276 50 40 HEGB CCCCn1nc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c2ccccc2c1=O 9508737 UVUPIHKKHOOFGB-YDZHTSKRSA-N 422.441 2.424 50 40 HEGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408608745 POSVKMWUCMVLNK-FSJBWODESA-N 419.865 2.140 50 40 HEGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1cccc(O)c1 8820282 OSNWWPNQWUSYKT-GXDHUFHOSA-N 417.468 2.038 50 40 HEGB CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1 13138084 FJLJKNYFQDMSSY-UHFFFAOYSA-N 417.306 2.130 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCC 19855236 LAKWAWUKHBMYDI-YBFXNURJSA-N 414.300 2.029 50 40 HEGB COc1ccc(CC(=O)N(C)N(C)C(=O)Cc2ccc(OC)c(OC)c2)cc1OC 20064365 UQHPPAMDKMWRTN-UHFFFAOYSA-N 416.474 2.338 50 40 HEGB COc1ccc([C@H](CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)NC(C)=O)cc1 22904904 CXXOYZGCDDCFMR-ACJLOTCBSA-N 417.437 2.017 50 40 HEGB O=C(NNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 79107988 OOZYAVFHKFIWAH-UHFFFAOYSA-N 414.237 2.122 50 40 HEGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc3c(c2)OCO3)C(C)C)cc1 408755850 WLBUREIJMFLPRP-GWJWUGQSSA-N 417.487 2.177 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 408793907 QVWXUCKLKNQPAX-HMMYKYKNSA-N 407.470 2.094 50 40 HEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc(O)c3)c(C)c(C#N)c2=O)cc1C 409055602 CMXAAXABBOTCBR-MSXFZWOLSA-N 401.426 2.499 50 40 HEGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc(OC)c1OC 35406223 KYBCKZUGVWVVEI-JMIUGGIZSA-N 403.391 2.458 50 40 HEGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1Cl 103517642 GMVBVKAVXXEFJU-IGVUGNCQSA-N 405.863 2.032 50 40 HEGB COc1ccccc1Nc1ncccc1C(=O)OCC(=O)NNC(=O)c1ccco1 9249094 HXLQJWSADJQXER-UHFFFAOYSA-N 410.386 2.045 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)ccc1O 19954432 DLLMOZJDJOVJSO-UDWIEESQSA-N 405.476 2.016 50 40 HEGB Cc1cccc(CN2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)c1 23295372 CIIYEDFAQIBCCD-UHFFFAOYSA-N 400.910 2.227 50 40 HEGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408601889 CCYQZFBJHLWZIP-ZMOGYAJESA-N 417.437 2.016 50 40 HEGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)O 2807702 QGKRUJYUXHMFCR-BLXFFLACSA-N 408.838 2.404 50 40 HEGB CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 32759001 QEZDXEUPUFSQNS-UHFFFAOYSA-N 418.519 2.288 50 40 HEGB COC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)OC)[C@H]1[C@H](Br)[C@H](Br)[C@H]21 104429772 ORAZXYAVSPPWHK-KXQCZCDSSA-N 408.086 2.154 50 40 HEGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2ccccc2OC)cc1 409025384 QMLASVZZVZCONU-UHFFFAOYSA-N 405.476 2.411 50 40 HEGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)O 409045262 FXZGILLTACXVCG-AWQFTUOYSA-N 421.793 2.413 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 6879477 QRFALPDVGLPCAU-FSJBWODESA-N 416.865 2.334 50 40 HEGB CCOC(=O)Cc1csc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1 7507751 ZSIRZBDUVFCJCX-UHFFFAOYSA-N 413.908 2.455 50 40 HEGB CC/C(NNC(=O)c1ccccc1O)=C1/C(=O)N=C(O)N(c2ccccc2C)C1=O 9088066 NHBJMNHHXPGHFW-SAPNQHFASA-N 408.414 2.087 50 40 HEGB O=C(CSCc1ccccc1)NNC(=O)NS(=O)(=O)c1ccccc1Cl 12346234 UHMBXLZKBKIJIW-UHFFFAOYSA-N 413.908 2.293 50 40 HEGB Cc1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c(C)o1 71820809 UGCGUGVNHVITEA-KRWDZBQOSA-N 413.474 2.365 50 40 HEGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCC(N)=O 408542491 JSSBIXZGFSMJQF-NVNXTCNLSA-N 409.398 2.193 50 40 HEGB Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9159487 NHJZQHICYBEZPX-NRFANRHFSA-N 414.381 2.413 50 40 HEGB O=C(N/N=C\c1cc(I)ccc1O)[C@H]1COc2ccccc2O1 13596091 KWDYBKUJSLWBIW-OADJVDCOSA-N 424.194 2.287 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)Cc1ccccc1 409141457 NZPSYXQDSADAFV-YBFXNURJSA-N 424.320 2.361 50 40 HEGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(C)(=O)=O 409185360 KVPHBOMFLKKSKP-KGENOOAVSA-N 407.467 2.449 50 40 HEGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1 8085951 OSJIWVVYJKMULS-BUVRLJJBSA-N 422.485 2.339 50 40 HEGB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)c1cccc(N(C)C)c1 8395371 PPAARYQUAPTCFN-INIZCTEOSA-N 418.497 2.414 50 40 HEGB Cc1occc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120556 NFGPMHIKZNDUBT-CYBMUJFWSA-N 409.364 2.417 50 40 HEGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3cccnc3)c2C)cc1 58912331 DBYATYTWWDMWQR-AFUMVMLFSA-N 405.458 2.264 50 40 HEGB CC(=O)N1Cc2ccccc2OC2(CCN(S(=O)(=O)CCCCl)CC2)C1 72389767 UKTRTHAQERUWMC-UHFFFAOYSA-N 400.928 2.221 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 408616093 VSQZMWCCILDBKG-GFCCVEGCSA-N 402.794 2.062 50 40 HEGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(F)c(Cl)c1 8990261 ATYALWXLPIJGHT-UGMNDJHYSA-N 423.853 2.171 50 40 HEGB CCN(CC)c1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101301564 GCXVNTWGAZXBGR-YKHTYXQRSA-N 415.968 2.373 50 40 HEGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)c1 408771870 JTELDXIHAVUSTG-RCCKNPSSSA-N 419.503 2.319 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1C 408773925 NAJJZHJTEISUDW-FYJGNVAPSA-N 402.520 2.286 50 40 HEGB Cc1ccc(SCC(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 6509136 WGGAULDNNWIVDU-UHFFFAOYSA-N 406.529 2.407 50 40 HEGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3ccccc3c2)cc1 8352983 JAZNVWDEQRQDOV-UHFFFAOYSA-N 411.483 2.230 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 20060401 XVYYRZHYVZVYBE-XSFVSMFZSA-N 405.476 2.010 50 40 HEGB COc1ccc(C)cc1[C@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 40024131 BIKUWJFOLRQLHG-ZDUSSCGKSA-N 419.507 2.002 50 40 HEGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C 104338363 GCZPNSRLTLQVLF-DVFVSVACSA-N 422.279 2.072 50 40 HEGB CCCn1nc(C(=O)NNC(=O)CCN2[C@@H](C)CCC[C@H]2C)c2ccccc2c1=O 3334134 XYKPGYCJSUOXDH-IYBDPMFKSA-N 413.522 2.221 50 40 HEGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccco1)C(=O)N[C@H]1CCS(=O)(=O)C1 27061906 SZWOGNHRVNPRKH-JMPLCFMRSA-N 422.466 2.343 50 40 HEGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H]2OC(=S)O[C@H]12 254140791 BPEOZWDRWRDXPZ-LIBKGXAOSA-N 423.571 2.397 50 40 HEGB COCc1cc(C)n(CC(=O)N/N=C/c2ccccc2OCC(C)C)c(=O)c1C#N 408600773 GANVYGPNSGLQSL-BHGWPJFGSA-N 410.474 2.360 50 40 HEGB Cc1c(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])nn(-c2ccccc2)c(=O)c1C#N 409071500 RWDHPRACUOVPCI-UUYOSTAYSA-N 402.370 2.085 50 40 HEGB COc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 12292238 OCUCXWLHEUOTIN-VQIMIIECSA-N 405.458 2.068 50 40 HEGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1O 13923754 CRRKFLCYPCNXBA-UFWORHAWSA-N 410.199 2.391 50 40 HEGB Cc1oc2ccc(OCC(=O)NNC(=O)CCCC(=O)O)cc2c1C(=O)OC(C)C 5022501 WXBWZYVXLRNQAF-UHFFFAOYSA-N 420.418 2.088 50 40 HEGB biogenic O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(F)cc1 408849569 XIMBQDWDTFFKIN-CFRMEGHHSA-N 408.433 2.403 50 40 HEGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2C)cc1 58912170 RQTXDXNNYNGFLM-FINLKQIMSA-N 412.490 2.238 50 40 HEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(F)cc1 13788263 DVNZOQWNYQLHOV-AWQFTUOYSA-N 412.410 2.254 50 40 HEGB Cc1cccc(C(=O)NNC(=O)Cc2nnc(NC(=O)c3cccc(C)c3)s2)c1 33752290 NHHREINXBFBDJX-UHFFFAOYSA-N 409.471 2.411 50 40 HEGB CC1(C)O[C@@H]2CO[C@H]3OC(C)(C)O[C@]3(/C=N\NC(=O)c3cc4ccccc4[nH]3)[C@@H]2O1 5707406 GHSQPBSXDHFYSL-WPDUMJHQSA-N 415.446 2.282 50 40 HEGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cn2)cc1 100773417 DYKZWPZTKAEFJR-FOKLQQMPSA-N 403.826 2.203 50 40 HEGB CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)NCc3ccco3)cc2c1 199424252 UECUDCNZEDZRGU-UHFFFAOYSA-N 412.446 2.407 50 40 HEGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 3240740 ZDNUMGXEYBAFBA-RZNTYIFUSA-N 406.350 2.079 50 40 HEGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3ccncc3)s2)cc1 4744663 RXZNIMAOHWJUHJ-UHFFFAOYSA-N 415.500 2.091 50 40 HEGB Cc1cc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)no1 4897826 IFPRZDPGAPGJEI-ZZTBVTLMSA-N 404.058 2.265 50 40 HEGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(I)c1O 8968635 ZMIPFYUARFPNSU-FRKPEAEDSA-N 414.203 2.191 50 40 HEGB C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408789990 PLARYCHTLSAACM-XDHOZWIPSA-N 408.411 2.040 50 40 HEGB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NNC(=O)c1ccc(F)cc1 3411759 KLVCGQXJYIPZCA-UHFFFAOYSA-N 416.390 2.158 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1O 19954659 SKQGHDALQRMDHA-UDWIEESQSA-N 405.476 2.016 50 40 HEGB CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc(Br)c[nH]3)ccc21 40144392 PAOIXASVTMOGMA-UHFFFAOYSA-N 405.252 2.151 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 408729311 DLPLEPKYUVUJCK-KGENOOAVSA-N 401.488 2.476 50 40 HEGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3cccc(Cl)c3)C(=O)NC2=S)cc1 408761492 GATOYPGVLGRMMW-IZBZYRJBSA-N 414.874 2.428 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1 409028703 QOCMVAJAXPNHAC-XDHOZWIPSA-N 404.448 2.074 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 409256905 QOISOJDPQFNNLY-XMTZNVEYSA-N 414.437 2.208 50 40 HEGB COc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1OC 2085053 BTXMCBCQYDOKME-GNUZOCDUSA-N 405.476 2.009 50 40 HEGB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NNC(=O)c1ccccc1 3483183 FOUXLBMENTUYJZ-UHFFFAOYSA-N 407.382 2.150 50 40 HEGB CCc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408678898 DQYRKRNHYDOTCH-SPGVSREJSA-N 422.275 2.302 50 40 HEGB CC(=O)N(C)c1ccc(OC[C@@H](O)Cn2cc(/C=N/NC(N)=O)c3ccccc32)cc1 5521082 ZRHAKSHHJLWIIK-DAFNMPDCSA-N 423.473 2.066 50 40 HEGB O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1cc(-c2ccccc2)n[nH]1 8725501 JYDYQWSHURLGCU-INIZCTEOSA-N 409.471 2.204 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1)NCc1ccccc1 28214300 NQCCNRQQDGBNMN-PCLIKHOPSA-N 408.502 2.318 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Cl)c2)cc1C 34691128 LCHMMKRPHXGKJM-JAIQZWGSSA-N 409.895 2.428 50 40 HEGB O=C1c2ccccc2C(=O)c2c(NC[C@@H](O)CCl)ccc(NC[C@@H](O)CCl)c21 68601169 SYZOCKFTUCTLFQ-RYUDHWBXSA-N 423.296 2.485 50 40 HEGB biogenic CC(C)n1ncc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1C(F)(F)F 72304783 GJDRNOXPXFISRJ-UHFFFAOYSA-N 401.301 2.171 50 40 HEGB O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccccc1O 408730783 IOIQLFOWAMYDEU-KEBDBYFISA-N 415.862 2.842 50 40 HEGB COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1OC 714177 CCXGSSRVLAHCNW-KEBDBYFISA-N 400.826 2.161 50 40 HEGB Cc1c(C(=O)N/N=C\c2ccc(N(C)C)cc2)nn(-c2ccccc2)c(=O)c1C#N 409060631 VPNVASMUFRHJJV-OYKKKHCWSA-N 400.442 2.243 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccccc3C)c(=O)c(C#N)c2C)c1O 409066191 HLEZFXMEHUPWMU-MSXFZWOLSA-N 417.425 2.199 50 40 HEGB CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O1 2266430 WARPTWRTPHQBRG-QGZVFWFLSA-N 414.414 2.051 50 40 HEGB Cn1c(CC(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)nc2ccccc21 6315466 CJXXOAQCLSLXAP-QGZVFWFLSA-N 408.458 2.135 50 40 HEGB CN1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCCO3)c2cc(Br)ccc21 12436777 IOTCWJAJFFDYEE-CAPFRKAQSA-N 416.231 2.331 50 40 HEGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OC)c(OC)c2OC)cc1 223152160 TWUIESINJBQRQQ-MTJSOVHGSA-N 401.419 2.200 50 40 HEGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)cc1C 409250205 LRBAXAXQBGHOBB-FSJBWODESA-N 408.458 2.050 50 40 HEGB O=C(O)[C@H]1CC[C@@H](SS[C@@H]2CC[C@@H](C(=O)O)C[C@@H]2[N+](=O)[O-])[C@@H]([N+](=O)[O-])C1 5188125 YTXIIWPSMIAUGA-KTWSDMTRSA-N 408.454 2.165 50 40 HEGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cccc(Cn2cccn2)c1 12428639 ZJGYLOMUJXUFSK-VXLYETTFSA-N 410.346 2.217 50 40 HEGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1cccc(OC)c1OC 15082906 YTNDAOHKPGMOHQ-NSHDSACASA-N 411.443 2.262 50 40 HEGB O=C(CNC(=O)NCc1ccc(F)cc1)NNC(=O)c1cc2c(s1)CCCCC2 26753262 DRMKFGXTHONZCL-UHFFFAOYSA-N 418.494 2.417 50 40 HEGB CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccco2)cc1 2551612 GKNSHHFYSWTUOW-ZHACJKMWSA-N 400.460 2.367 50 40 HEGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4017991 UNMKLYYESCQRNA-DEDYPNTBSA-N 412.406 2.019 50 40 HEGB O=C(/C=C/c1ccccc1Br)NNC(=O)[C@H]1COc2ccccc2O1 12770634 FQTNEIAVDGCRRB-ZNFPLGDCSA-N 403.232 2.450 50 40 HEGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc[nH]c3=O)cc2)cc1 12895021 CPKMQGSHIFZXQT-UHFFFAOYSA-N 407.426 2.427 50 40 HEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2Br)cc1 223161016 QJAPPMQVFSAWPB-GRSHGNNSSA-N 404.220 2.325 50 40 HEGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc([N+](=O)[O-])c1O 409253268 FKPMPWRBTLVGRZ-GIJQJNRQSA-N 404.335 2.380 50 40 HEGB C/C(=N\NC(=O)c1cccs1)c1cc2c(cc1NC(=O)CCC(=O)O)OCO2 5517016 XBZKCWCQLNRFKG-KEBDBYFISA-N 403.416 2.434 50 40 HEGB Cc1ccccc1/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccccc1C)C=2C#N 705608 FZEHTKPOOVXXQD-LYCWOWIHSA-N 410.502 2.478 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 20493196 QDMUCIXWTLIKSD-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(SC)cc2)cc1C 39986641 MQSCFEYQPNABOL-NDENLUEZSA-N 421.544 2.496 50 40 HEGB CCOc1cc(C(=O)NNC(=O)[C@@H]2CCn3cncc3C2)cc(OCC)c1OCC 89990932 LLXKKLCCFBKAOE-CQSZACIVSA-N 416.478 2.103 50 40 HEGB C[C@H](C(=O)N/N=C1/C(=O)Nc2ccccc21)n1cnc2sc3c(c2c1=O)CCCC3 1783626 RYIHKIMLHFRBJC-LLVKDONJSA-N 421.482 2.370 50 40 HEGB O=C(NN/C=C1/C(=O)N(c2cccc(Cl)c2)C(=S)N=C1O)c1ccncc1 4856318 BNUURKHZKLYIAI-UKTHLTGXSA-N 401.835 2.142 50 40 HEGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCC(=O)OC 59334736 MPPOJUDGQSLXSU-SDQBBNPISA-N 411.252 2.395 50 40 HEGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c1 409158604 RNHCNSFLDOVIND-DJKKODMXSA-N 422.235 2.261 50 40 HEGB O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409164753 NIULRZHMOKEGQD-WYMPLXKRSA-N 421.409 2.290 50 40 HEGB COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)cc(Br)c1OC 1070028 NCOGUGDLPGOLBI-DJKKODMXSA-N 418.251 2.361 50 40 HEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)OC)C(O)=N1 2293253 IPBNALVXJWKEQF-GJZGRUSLSA-N 419.415 2.469 50 40 HEGB CCOCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 6656203 KCDJMZGQZWWADM-NTCAYCPXSA-N 403.460 2.044 50 40 HEGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 9056977 JATLPTNMNSJYLX-UHFFFAOYSA-N 416.393 2.303 50 40 HEGB NC(=O)N[C@H](CC(=O)NNC(=O)c1ccccc1Br)c1ccccc1 10963003 GHSZVVJNLJFPAF-CQSZACIVSA-N 405.252 2.010 50 40 HEGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 35784866 MFNNEMXGXFHEQU-UCQKPKSFSA-N 411.458 2.005 50 40 HEGB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408687464 ULTKCYUOIQMSHD-VPGMKPDPSA-N 422.275 2.356 50 40 HEGB O=C(CNC(=O)c1ccco1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 18122702 SUNNAMNRRDASKE-QQTULTPQSA-N 402.410 2.077 50 40 HEGB O=C(NNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1cccc(O)c1 22024209 CMIWMOXDPOMEEO-UHFFFAOYSA-N 400.412 2.034 50 40 HEGB CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)NNC(=O)c2ccccc2)c1 40143102 AXONUMISILYNLE-UHFFFAOYSA-N 415.496 2.398 50 40 HEGB CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)ccc1O 98086443 ITNFLMDNLUNONA-KEBDBYFISA-N 400.826 2.248 50 40 HEGB C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 252430622 BATUORYJCLTZTR-GTFSGYNESA-N 422.610 2.354 50 40 HEGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cccc(OCC(=O)O)c1)c1ccccc1 409002328 NFJPFFPOOCACMW-MNOULKQQSA-N 413.430 2.478 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C 409249563 JUKSYLFTSSBGFX-DXRSZSRVSA-N 410.474 2.377 50 40 HEGB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccncc1 1805278 ROGSFOAHEZEVPD-RAXLEYEMSA-N 418.525 2.196 50 40 HEGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc([N+](=O)[O-])cc2)=N\NC(N)=S)s1 17215527 BNIAWKZCZUSMNP-BJKDEMJXSA-N 419.492 2.073 50 40 HEGB COc1cc(C(=O)NNC(=O)c2c[nH]c3nc(C)ccc3c2=O)ccc1OC(C)C 32921999 AYLHHELNUJBKEO-UHFFFAOYSA-N 410.430 2.102 50 40 HEGB N#CC(C(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)=C1Nc2ccccc2N1 5242356 NVDBESHTEREZFY-ZDUSSCGKSA-N 406.398 2.013 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1 6879500 VRIMMLCAQNSFOY-FSJBWODESA-N 416.865 2.334 50 40 HEGB NC(=O)COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 15145761 NLJDEXMGNWIMMO-AWQFTUOYSA-N 400.485 2.403 50 40 HEGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(F)cc1 409023706 CRRYCKHWHUZGGB-XDHOZWIPSA-N 408.411 2.040 50 40 HEGB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)ccc1Cl 17577710 CQXKTDQIIGNKTL-UHFFFAOYSA-N 423.878 2.320 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 20210037 XWYSMIULABJZSP-KGENOOAVSA-N 417.487 2.176 50 40 HEGB NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 34725764 JVOXCUAUJYVIRU-UHFFFAOYSA-N 405.277 2.230 50 40 HEGB COc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc(OC)c1OC 408725114 CWAIKMRRGVTSOW-OEAKJJBVSA-N 413.474 2.309 50 40 HEGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccccc2)cc1 408871811 XMEIZAPYEHQIQA-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB CCCOc1ccc([C@@H]2C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)cc1OC 2266892 LGFCZHSGDZQWAF-GOSISDBHSA-N 416.430 2.282 50 40 HEGB CSc1nccn1-c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 40134540 LMEKGUYTOJKNOM-QGZVFWFLSA-N 410.455 2.195 50 40 HEGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc3c(c2)OCO3)C(C)C)cc1 408755858 WLBUREIJMFLPRP-QVQQHXNLSA-N 417.487 2.177 50 40 HEGB COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 408972524 UVIMHBUPYDCKNG-HYARGMPZSA-N 419.478 2.385 50 40 HEGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc(O)c1)OCc1ccccc1 408991222 PVXKZULISBDSPY-AZCDICLMSA-N 407.430 2.103 50 40 HEGB CC(C)c1ccc(-n2nnnc2SCC(=O)NNC(=O)c2cccs2)cc1 12931092 QJEDBGPTLHALTH-UHFFFAOYSA-N 402.505 2.401 50 40 HEGB CN(CC(=O)NNC(=O)c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccs1 18097859 ZJFFCYHEBWEYQM-UHFFFAOYSA-N 422.315 2.137 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1ccc(Br)cc1 20209860 IHSJJXHXAJOCNF-CXUHLZMHSA-N 416.322 2.427 50 40 HEGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)c1 6867525 AMEGIMGONRXEEU-ZMOGYAJESA-N 410.474 2.235 50 40 HEGB CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc1 7384331 IKMRNTLNIIMVCP-LLVKDONJSA-N 400.403 2.141 50 40 HEGB CCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cc(OC)c(OC)cc2C(=O)OC)C1=O 9060657 VCWYXWMUQILYJJ-PTNGSMBKSA-N 413.430 2.405 50 40 HEGB C[C@@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)NNC(=O)c1ccccc1 7820460 IVFQPIRWCPHLLF-CQSZACIVSA-N 412.442 2.172 50 40 HEGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1cccnc1 8820336 VFSBGXNCYHRDHO-GXDHUFHOSA-N 416.484 2.117 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 52411110 APOPLMPCAUPVBP-LBPRGKRZSA-N 402.794 2.062 50 40 HEGB CCCCN1C(=O)c2ccc(C(=O)NNc3nc(-c4ccncc4)no3)cc2C1=O 69535201 FNRCPSQOVPQKCK-UHFFFAOYSA-N 406.402 2.285 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 6879435 FHWZSEUXVDHACF-FSJBWODESA-N 416.865 2.334 50 40 HEGB C=CCOc1ccc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 13806159 UTOMPKXJHBFMHE-CJMVGXJBSA-N 412.467 2.031 50 40 HEGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cccc(Cl)c2)c1 33028739 ATOOZOJAJJZQMJ-UHFFFAOYSA-N 412.924 2.222 50 40 HEGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 33563099 OGGNUTJKSMPFJR-MTJSOVHGSA-N 415.402 2.238 50 40 HEGB CCc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 408686852 SKZLCACFAWNPNF-LHVLRZJLSA-N 422.275 2.302 50 40 HEGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408822282 LKWXDZWGSCGZHX-WZJLVRHISA-N 422.485 2.085 50 40 HEGB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1O 4839237 OROGCLWOUZBUQB-GDNBJRDFSA-N 413.480 2.055 50 40 HEGB C/C(=N\NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(-n2ccnc2)cc1 4864703 HOSAUSDPWCFZEZ-HZHRSRAPSA-N 410.503 2.248 50 40 HEGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCCC(C)C 27026449 OUCUMQYYXSFJPQ-KGZWWPETSA-N 406.504 2.330 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 408782896 KXKYTEFCPMKRKU-FYJGNVAPSA-N 419.503 2.319 50 40 HEGB CCc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1 7939994 HUSZXEMDWBIAFC-UHFFFAOYSA-N 411.458 2.362 50 40 HEGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(C)(=O)=O 408780858 MCOSCMZEZQKZLM-KEBDBYFISA-N 423.878 2.263 50 40 HEGB COc1ccc(C(=O)NCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 41780509 GEDYAGGBJFPLIM-UHFFFAOYSA-N 412.324 2.495 50 40 HEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)Nc2ccc(Br)cc21 6058541 XORPSCXUGHOEDB-UHFFFAOYSA-N 403.192 2.372 50 40 HEGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 12561744 UUHQIPVYQBMIRI-UHFFFAOYSA-N 408.823 2.363 50 40 HEGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(I)o1 409083966 OVHFCANYGIANJA-UBKPWBPPSA-N 413.171 2.175 50 40 HEGB CCC1=C(C(=O)OC)[C@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1 5055014 PNAMZCDCYAWFGC-QGZVFWFLSA-N 404.220 2.200 50 40 HEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1C 33005220 BXQXXNYQHMGEMK-WOJGMQOQSA-N 400.504 2.386 50 40 HEGB O=C(NN/C=C1\C(=O)N(CCC2=CCCCC2)C(=S)N=C1O)c1ccccc1O 2385438 NWTLLXVSRUYDFQ-QINSGFPZSA-N 414.487 2.485 50 40 HEGB O=C(COC(=O)CCCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1 8412765 VUGGVSKWNGADRH-UHFFFAOYSA-N 417.849 2.453 50 40 HEGB O=C(NNC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1)c1ccc2c(c1)OCO2 23383036 RDOLKCHEFOZIMM-GOSISDBHSA-N 423.450 2.409 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1F 32795320 BFLLNHCMQHLXJU-LLVKDONJSA-N 420.238 2.402 50 40 HEGB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(CCO)C(=O)C(C#N)=C2C)o1 980566 IAYIZSFWAABSCD-BOPFTXTBSA-N 406.394 2.318 50 40 HEGB O=C(NCc1ccc(F)cc1)NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O 23136109 SLYHDZOLVBGMCN-UHFFFAOYSA-N 412.396 2.319 50 40 HEGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(Br)o2)c1C#N 59427706 JUAJOGUIJRQIBH-FBCYGCLPSA-N 407.224 2.293 50 40 HEGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(-c2ccccc2)cc1 705529 KFVOKOIIDDWKGY-WSDLNYQXSA-N 402.418 2.362 50 40 HEGB CSc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)s1 6932912 WEDQRMDNWRZNDI-UHFFFAOYSA-N 404.926 2.232 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c(C)c1 408685985 QTYSZYSCVHJBJF-IHXMYUSMSA-N 422.275 2.356 50 40 HEGB CNC(=S)/C(C#N)=C(\N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1388391 ZQFGDEOCKUAPRP-ZRDIBKRKSA-N 404.849 2.116 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c1 6544506 HTFLLAKFVLVBPP-KGENOOAVSA-N 417.487 2.031 50 40 HEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)CC2=O)cc1 7947777 MBFDYNORQCMORX-INIZCTEOSA-N 403.442 2.199 50 40 HEGB Cc1cc(C)c(NCC(=O)NNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1 8707344 WQJXMERPHPGGLL-UHFFFAOYSA-N 419.503 2.195 50 40 HEGB O=C(N/N=C/c1cccc(Br)c1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 9597214 LLNHBPMDXDLWCO-QGMBQPNBSA-N 416.191 2.358 50 40 HEGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1c(C(F)(F)F)n[nH]c1C(F)(F)F 78964353 HTOTXJVSYCUKMB-MRVPVSSYSA-N 424.257 2.048 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccc(Cl)c(Cl)c1 408905990 BWDUFRXXYIXGPK-DJKKODMXSA-N 401.275 2.305 50 40 HEGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)O 2807700 QGKRUJYUXHMFCR-YGLIYXGISA-N 408.838 2.404 50 40 HEGB O=C(O)[C@H]1C[C@@H](Br)[C@@H](Br)C[C@@H]1C(=O)NCc1cccnc1 6445192 YEIZWXHGDGESIO-FIQHERPVSA-N 420.101 2.336 50 40 HEGB NC(=O)c1cccc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)c1 12893943 CJLYMMJXFFRKGB-UHFFFAOYSA-N 419.437 2.205 50 40 HEGB CCOc1ccc(OCCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 24765554 HBECDZQZMSRGTK-UHFFFAOYSA-N 418.446 2.341 50 40 HEGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1cccc(Br)c1 2393460 SAARDIHNHVIDGG-KEBDBYFISA-N 415.247 2.046 50 40 HEGB CSc1ccc(N2C[C@H](C(=O)NNC(=O)COc3ccc(C)cc3)CC2=O)cc1 32909293 VWSJBCREQIJMHI-OAHLLOKOSA-N 413.499 2.296 50 40 HEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 59433814 FBFPDJMOQXUDFI-SRZZPIQSSA-N 401.419 2.118 50 40 HEGB COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408676652 BBXHZLFCEBGTHZ-KXRALIRSSA-N 423.259 2.381 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1Cl 7927974 WUGOQSNZCBSXFB-NSHDSACASA-N 402.794 2.062 50 40 HEGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(OC)c2)s1 408731226 LINMTJBHIZKPMN-YBFXNURJSA-N 405.480 2.464 50 40 HEGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2)sc2c1CCC2 2407230 ZJSATKHTUCPVCC-KEBDBYFISA-N 401.444 2.121 50 40 HEGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1 223156058 PXMCKMUVVWKKCN-XKZIYDEJSA-N 413.430 2.359 50 40 HEGB Cc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 408686540 RTWYVHSEZVUUBC-UXTSJCJBSA-N 408.248 2.048 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1OC 408922638 PUPVCWSVJRESFN-CIAFOILYSA-N 419.503 2.237 50 40 HEGB CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)ccc21 40144758 BNLCISYVQMCDRW-UHFFFAOYSA-N 403.442 2.451 50 40 HEGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1 4247935 TUUIMWMGGCTFLH-LPHOPBHVSA-N 421.453 2.341 50 40 HEGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1Cl 9476699 LFJQOEWXBOOMNA-SSZFMOIBSA-N 400.866 2.177 50 40 HEGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(OCc2nccn2C)cc1 40119757 ZQNRZALDWQPTJO-CQSZACIVSA-N 412.421 2.367 50 40 HEGB O=C(N[C@@H](SS[C@H](NC(=O)c1ccccc1)C(=O)O)C(=O)O)c1ccccc1 82169950 ZOAYUYIUTMFEQV-HOTGVXAUSA-N 420.468 2.049 50 40 HEGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(N)=O 408956997 ZNUUBUMOFVYVEN-YVLHZVERSA-N 418.453 2.306 50 40 HEGB COc1ccc(CC(=O)NNC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 12985494 FSGZOHFYMMVEAT-UHFFFAOYSA-N 421.906 2.410 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccs1 52410855 MZJRWCYCAPLCMQ-JTQLQIEISA-N 408.277 2.325 50 40 HEGB O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)Nc1ccc(F)c(Cl)c1 1755660 XEXMREHUCZWFFI-UHFFFAOYSA-N 424.776 2.362 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 6584677 KGUMCVZDDKTTID-KGENOOAVSA-N 401.488 2.163 50 40 HEGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9265567 PWTFMTITAGTTJS-WSDLNYQXSA-N 412.471 2.211 50 40 HEGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 10215777 DITHBXNLIFJGJO-CQSZACIVSA-N 409.417 2.324 50 40 HEGB COC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 15944740 FGCSGFQIAGFPKW-LICLKQGHSA-N 409.376 2.061 50 40 HEGB Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@H](c1ccccc1F)C(C#N)=C(N)O2 19890682 GGPPQZDDVHIXLI-HXUWFJFHSA-N 424.476 2.236 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 20493195 IPPBFCMCWUWABH-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408850104 GBMSCDDNLJOHPW-FLIBITNWSA-N 424.276 2.174 50 40 HEGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccncc3)c2C)cc1 408872469 DXDUTJGCHNMGQS-AFUMVMLFSA-N 405.458 2.264 50 40 HEGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(=O)Nc1ccc(C)cc1 4690771 CGHLCYNRNBKLSL-ZVHZXABRSA-N 410.430 2.226 50 40 HEGB Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(Br)c1 6203458 GVYLNUGFOUFXTC-VXGBXAGGSA-N 413.268 2.175 50 40 HEGB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NNC(=O)[C@H]1COc2ccccc2O1 12770779 SRKVWQXUDNGMGK-FUTAKVPZSA-N 416.817 2.112 50 40 HEGB CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2cc(Br)ccc21 664273 ZCGVLWZRTGJGCK-GOSISDBHSA-N 400.232 2.394 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 6610101 VHKGNZMXBRODTH-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB Cc1ccccc1NCC(=O)NN[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682777 HFUSBDYYTGJBJG-GOSISDBHSA-N 411.506 2.070 50 40 HEGB COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 408776315 NNXCZHUEDVKPJN-KEBDBYFISA-N 413.858 2.404 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 408781336 BPMOTUCUKLJGTM-CIAFOILYSA-N 419.503 2.237 50 40 HEGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccccc1 409261570 DSWFPZCTVNMVLN-ZMOGYAJESA-N 420.425 2.064 50 40 HEGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1Cl 409301750 GCPBDAXPCXNOST-CYBMUJFWSA-N 421.906 2.279 50 40 HEGB O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3275694 DAIUCFCXLZZLSR-DEDYPNTBSA-N 403.460 2.036 50 40 HEGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(C)ccc(C)c2[nH]c1=O 4132092 CMLBPDGSAMIYBS-GOSISDBHSA-N 409.442 2.416 50 40 HEGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1ccc(Br)cc1 9113260 OANYFEPYYIBYKA-UHFFFAOYSA-N 420.263 2.394 50 40 HEGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2)cc1OC 408527118 LDKJBPQMJIOLMO-UFFVCSGVSA-N 406.822 2.430 50 40 HEGB Cc1nnc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)s1 408684674 KFBGYNGFSWGCDO-YWIQKCBGSA-N 409.103 2.273 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 6647914 VAAOFKGSKAZIEO-ZVHZXABRSA-N 410.474 2.379 50 40 HEGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C(=O)OC)cc3)CC2=O)cc1 31942785 GDZCDDPETWVFED-ICODJCHTSA-N 409.442 2.375 50 40 HEGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334340 QAUUOBKKCFBBRJ-SDQBBNPISA-N 411.252 2.395 50 40 HEGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(C)c(C#N)c1=O 409073713 HWPVFTQQTUOSJI-FMCGGJTJSA-N 416.397 2.393 50 40 HEGB Cn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 3382445 XUUYFJFZZDFLRH-UHFFFAOYSA-N 402.867 2.084 50 40 HEGB CC(C)C(=O)NNC(=O)[C@@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12763225 XNUJASBAWJDBFI-SNVBAGLBSA-N 408.549 2.289 50 40 HEGB CSc1nc2nc(C)c(CC(=O)NNC(=O)c3cc4c(s3)CCC4)c(C)n2n1 22698838 SKQUHNRRGLKHRS-UHFFFAOYSA-N 416.532 2.017 50 40 HEGB Cc1occc1C(=O)NNC(=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 40068972 HIUJQDBOGKEFBN-UHFFFAOYSA-N 412.368 2.367 50 40 HEGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(N(C)C)cc3)C2=O)cc1 100183313 VXMWLKMNMXKTJQ-LJQANCHMSA-N 410.474 2.108 50 40 HEGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 408875330 JORRXXZDSLQORK-KGENOOAVSA-N 419.503 2.400 50 40 HEGB O=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2623810 UWOWNWVFANOCJK-UHFFFAOYSA-N 419.478 2.465 50 40 HEGB Cn1cc(Br)cc1C(=O)NNC(=O)c1cccnc1OCC(F)(F)F 24637235 ATLFZWCUIFZIKL-UHFFFAOYSA-N 421.173 2.199 50 40 HEGB Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCC3)cc1NS(C)(=O)=O 32908896 CMJHZYFMSPPSEO-UHFFFAOYSA-N 407.517 2.382 50 40 HEGB COc1ccc(NC(=O)CCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1 36213213 MQHZTOKNFKJFHG-RGVLZGJSSA-N 416.390 2.187 50 40 HEGB O=C(CN1CCc2sccc2C1)NNC(=O)c1ccc(F)cc1Br 58812762 XUTCUPHFWXAJLP-UHFFFAOYSA-N 412.284 2.469 50 40 HEGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)c(C)c1 409264475 LMVUGRAOTGXYLS-FSJBWODESA-N 408.458 2.050 50 40 HEGB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1CCCl 10104403 YIUNOTXJHWRCRU-UHFFFAOYSA-N 406.273 2.398 50 40 HEGB O=C(Cc1ccccc1)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 32795076 UXEKLBXMMURLPC-AWEZNQCLSA-N 416.275 2.192 50 40 HEGB C=CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 3052074 QFWOXALDROWEDQ-UHFFFAOYSA-N 410.421 2.210 50 40 HEGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 8571299 SZKDKKQOTJGMEP-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 1440411 QXSMYXKJDMKQLL-UHFFFAOYSA-N 411.487 2.067 50 40 HEGB Cc1cccc2c1NC(=O)/C2=N\NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 6886920 PQLFEUZBQGDALO-UHFFFAOYSA-N 421.482 2.118 50 40 HEGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 58911628 CJGGMJSNERNFNK-SRZZPIQSSA-N 421.295 2.069 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 409028742 RCLYKCJQAIMQFD-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)c(O)c3)s2)cc1 1953669 OCCKQEHFGGLPHK-KEBDBYFISA-N 411.443 2.203 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12 5014788 RNFJEQIACXIKBK-LFIBNONCSA-N 406.442 2.220 50 40 HEGB N#CC(C#N)=C(c1cnc(N2CCOCC2)s1)c1cnc(N2CCOCC2)s1 16383520 YVDPCOXMUVPXKB-UHFFFAOYSA-N 414.516 2.122 50 40 HEGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(Br)s3)C2=O)cc1 101273467 PATCTKWCXBTICR-NSHDSACASA-N 424.276 2.086 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409172616 DPUUMKLCCFDUOV-LSFURLLWSA-N 423.256 2.207 50 40 HEGB COc1cccc(/C=C/C(=O)NNC(=O)CCN2CCN(Cc3ccccc3)CC2)c1 22032490 OAMPENSNWBJXDU-ZHACJKMWSA-N 422.529 2.064 50 40 HEGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 408762406 AZFPLDYDXVIZKV-TYJAPOHBSA-N 418.475 2.356 50 40 HEGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1n[nH]c(=O)c2ccccc12 3343090 GXDCGGUGLKZRGH-UHFFFAOYSA-N 414.421 2.430 50 40 HEGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2cccc3ccccc23)cc1 5023270 QTVWQWMKWFCNHV-UHFFFAOYSA-N 413.455 2.187 50 40 HEGB CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1O 36144866 SNATZUJQJGGVKS-JAIQZWGSSA-N 403.391 2.409 50 40 HEGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc1 2263765 NNTWRRUBEWNGRV-SSDVNMTOSA-N 402.418 2.280 50 40 HEGB N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)N1CCOCC1 2430571 QROVKUOEXBHZEL-FYWRMAATSA-N 420.400 2.392 50 40 HEGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1Cl 3304592 NTJYMCBJYUICKU-LPYMAVHISA-N 401.850 2.342 50 40 HEGB CCc1ccc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)cc1 14200271 WCZBOWHVQQXBOK-MRXNPFEDSA-N 409.533 2.075 50 40 HEGB O=C(NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])NC1CCCCC1 33742224 NSBBPSKMXAWXDO-UHFFFAOYSA-N 411.484 2.338 50 40 HEGB O=C(COc1ccc2ccccc2c1)NCC(=O)N/N=C/c1ccc(C(=O)O)cc1 4680574 JVLWVEKPMDIZSU-WYMPLXKRSA-N 405.410 2.183 50 40 HEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3ncnc(O)c32)cc(Br)c1OC 18201068 YFCWEAORYYMYMR-LLVKDONJSA-N 405.208 2.180 50 40 HEGB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NNC(=O)Cc1c[nH]c2ccccc12 21969717 AFTUVCVMMFDVDZ-UHFFFAOYSA-N 421.482 2.321 50 40 HEGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)/C=C/c3ccccc3)C2=O)c(C)c1 408537169 CJFWXLGMZLVKLY-NQASNHIQSA-N 404.426 2.104 50 40 HEGB CCOc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3O)C2=O)cc1 6784049 BYNWFIRHBNGZON-PTNGSMBKSA-N 410.386 2.033 50 40 HEGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1 8088404 NNVUILXJDLZUNZ-AFUMVMLFSA-N 424.501 2.489 50 40 HEGB CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 15511263 CHECBYSMWPZXNY-UHFFFAOYSA-N 416.286 2.075 50 40 HEGB Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 20503380 UBTVJPONVBAGOB-FQEVSTJZSA-N 424.476 2.236 50 40 HEGB Cc1c(C(=O)N/N=C\c2ccc(C(=O)O)cc2)nn(-c2ccc(F)cc2)c(=O)c1C#N 28630581 DSYCKJGLGPELHK-MYKKPKGFSA-N 419.372 2.014 50 40 HEGB O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1cccc(O)c1 408731442 MOWXWVRJTQQQIG-KEBDBYFISA-N 415.862 2.842 50 40 HEGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3cccc(Cl)c3)C(=O)NC2=S)cc1 408761494 GATOYPGVLGRMMW-UNUHRMFVSA-N 414.874 2.428 50 40 HEGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(OCC(N)=O)cc1 6439060 AIIZSFXGGPQDCG-LJQANCHMSA-N 419.437 2.333 50 40 HEGB CCCn1nc(C(=O)NNC(=O)CCc2ccccc2OC)c2ccccc2c1=O 6929789 ITATXPBICAVSKC-UHFFFAOYSA-N 408.458 2.209 50 40 HEGB CCn1c(NNC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)nc2ccccc2c1=O 10680305 ZSFTUPPXTXHSNS-UHFFFAOYSA-N 418.457 2.351 50 40 HEGB O=C(N[C@H](SS[C@@H](NC(=O)c1ccccc1)C(=O)O)C(=O)O)c1ccccc1 82169952 ZOAYUYIUTMFEQV-HZPDHXFCSA-N 420.468 2.049 50 40 HEGB CCOC(=O)NNS(=O)(=O)c1cc(Br)ccc1Br 3319812 QSJFPFIESVXBFT-UHFFFAOYSA-N 402.064 2.151 50 40 HEGB O=C(O)[C@H]1CC[C@@H](SS[C@@H]2CC[C@@H](C(=O)O)C[C@H]2[N+](=O)[O-])[C@@H]([N+](=O)[O-])C1 5188117 YTXIIWPSMIAUGA-ZNSALQAWSA-N 408.454 2.165 50 40 HEGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 6355263 QASTWLUGMWSZLL-SJORKVTESA-N 415.515 2.452 50 40 HEGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC 8811123 BRKBGUDXZKITSX-SRZZPIQSSA-N 402.403 2.028 50 40 HEGB C[C@@H](C(=O)NNC(=O)c1ccc(F)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 22090918 AMNWIMUDTAMSQI-HNNXBMFYSA-N 418.900 2.446 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 408740256 FEYYAPVDUADFMB-ANKPHQHTSA-N 400.847 2.120 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408922496 OLAMEMMCSWSLPU-CIAFOILYSA-N 417.487 2.006 50 40 HEGB CC(C)(Br)C(=O)NNC(=O)[C@@]1(C)CC1(Br)Br 2334134 YLCIZTJEPGDYLB-MRVPVSSYSA-N 420.927 2.203 50 40 HEGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CNC(=O)c2ccc(F)cc2)c1 9595813 MGMSYVBLNSSWKE-UHFFFAOYSA-N 401.438 2.214 50 40 HEGB O=C(N[C@@H](SS[C@@H](NC(=O)c1ccccc1)C(=O)O)C(=O)O)c1ccccc1 82169947 ZOAYUYIUTMFEQV-IYBDPMFKSA-N 420.468 2.049 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 408908627 WVJYWRUZNBADSK-XSFVSMFZSA-N 405.476 2.010 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 409124665 BGSVBSQHIFSRFL-FYJGNVAPSA-N 405.451 2.307 50 40 HEGB O=C(CCc1ccc2c(c1)OCO2)NNC(=O)COc1cccc(Br)c1 12605952 JVDBYAJELQWDCT-UHFFFAOYSA-N 421.247 2.337 50 40 HEGB O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 15631691 DYWJNAFSEJHSRO-INIZCTEOSA-N 408.411 2.030 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1 409023886 DXJXMQCUMGFUJZ-XSFVSMFZSA-N 418.475 2.464 50 40 HEGB COc1ccc(C(=O)NNC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 794449 DAMJXEYGMBQFAE-UHFFFAOYSA-N 408.443 2.068 50 40 HEGB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517033 GOTMQJWZSJNGQI-QHCPKHFHSA-N 401.422 2.457 50 40 HEGB CCNC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)cc1 6146080 FZQALHRSACRDNU-UHFFFAOYSA-N 422.532 2.015 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1 7882616 WJBQSOJNQWWOME-LBPRGKRZSA-N 402.794 2.062 50 40 HEGB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 12603835 QBSRMTNPZQTJGI-MRXNPFEDSA-N 417.897 2.158 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 6879470 XTQUPGSUDVIWSU-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)c1 8369981 RKAUISNUUGZVPK-FSJBWODESA-N 410.474 2.296 50 40 HEGB CC(=O)NCc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)s1 15347787 LSFCHUIKOPNEQI-UHFFFAOYSA-N 407.473 2.062 50 40 HEGB Cc1nc2ccccc2c(=O)n1CCC(=O)NNC(=O)c1ccc2ccccc2n1 29054378 GBICLHOXCCLXKX-UHFFFAOYSA-N 401.426 2.104 50 40 HEGB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O 408674118 YKJGLPNLFCTDHI-LLVKDONJSA-N 401.331 2.470 50 40 HEGB O=C1NCCC[C@H]1C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 100287918 KBTGCZUSVLWKFV-LIDWSNAKSA-N 410.861 2.233 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 6312909 XZJPRORJHWUVQC-FSJBWODESA-N 414.849 2.110 50 40 HEGB O=C(CCC(=O)Nc1cccc(C(=O)O)c1)N/N=C/c1coc2ccccc2c1=O 27439209 CDJYNBQSPXPTJU-SSDVNMTOSA-N 407.382 2.360 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408785685 ASNUUWXSPOPVBJ-UDWIEESQSA-N 408.911 2.322 50 40 HEGB COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1OC 5663489 RWIZYFRKHLJFKW-ZWKOTPCHSA-N 417.849 2.498 50 40 HEGB O=C(O)c1cccc(Cn2c(Cl)c(/C=N\NC(=O)c3ccncc3)sc2=O)c1 33361162 DWTWJHITMQZRLY-NKVSQWTQSA-N 416.846 2.469 50 40 HEGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(N)=O 409264059 KLWHAPLDNMYOJQ-UKWGHVSLSA-N 406.236 2.086 50 40 HEGB C[C@H](CCC(=O)ON1C(=O)CCC1=O)SSc1ccncc1C(=O)N(C)C 514251780 AFGUQHOCEUTKEQ-LLVKDONJSA-N 411.505 2.300 50 40 HEGB CCOc1cc(/C=N\Nc2nncn2N)c(C)cc1N(CCCl)CCCl 4822319 XMTSCUBVCHBLIA-JMIUGGIZSA-N 400.314 2.429 50 40 HEGB Cn1nc(C(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 6237476 WPQWRVBPTLHFFX-UHFFFAOYSA-N 405.241 2.244 50 40 HEGB CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 34990134 DMTKHQPMXLLEJL-VBKFSLOCSA-N 417.487 2.432 50 40 HEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCC(=O)N2CCCC2)cc1 818613 ILXVWBNVKWHFTD-HXUWFJFHSA-N 411.458 2.333 50 40 HEGB COc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)ccc1OCc1ccccc1 4703170 IAMYWMHCBOKXNP-CVKSISIWSA-N 418.453 2.436 50 40 HEGB COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)ccc1O 19370486 YDOVBEQJGGCXSV-YDZHTSKRSA-N 416.909 2.322 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 408907766 QXTBQFBAIQLREW-KGENOOAVSA-N 417.487 2.176 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 20207523 ARHFVNPRBFSWCD-KGENOOAVSA-N 401.488 2.476 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)CC)cc1 59490255 VWPLJUMMCRBAMV-KGENOOAVSA-N 419.503 2.400 50 40 HEGB O=C(OCC1=C[C@H](Cl)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 253388387 QUOOWFYEPMIYFF-VJANTYMQSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 6355282 QASTWLUGMWSZLL-DLBZAZTESA-N 415.515 2.452 50 40 HEGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OC)c1OC 8110171 VOFIAIFVCNCGDG-YTRQYYDFSA-N 415.421 2.355 50 40 HEGB O=C(CSc1nc2ccccc2s1)NNC(=O)[C@H]1COc2ccccc2O1 15794954 JSXJWEIIZJFTHE-CQSZACIVSA-N 401.469 2.376 50 40 HEGB Cc1ccc[n+]([C@H]2C(=O)NC(S)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 32039572 RYSYUMGIFWOLNK-HZPDHXFCSA-O 412.407 2.219 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1 47080855 AYSLTDRCUXRLIO-CYBMUJFWSA-N 402.248 2.263 50 40 HEGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Cl)ccc1O 2520710 PXOWHVKNVMHWSR-ZVBGSRNCSA-N 424.808 2.022 50 40 HEGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 5093680 NOKLBRRPYJIBRJ-UHFFFAOYSA-N 412.449 2.407 50 40 HEGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1 5163420 GNWFXGOTFWURTB-LTGZKZEYSA-N 401.488 2.170 50 40 HEGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1 6454103 WKMLMSFSNQCLQI-HNNXBMFYSA-N 403.529 2.339 50 40 HEGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 16839235 HHERAQOPIVZJSA-UHFFFAOYSA-N 411.845 2.390 50 40 HEGB COc1cc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)ccc1O 32576974 FARYFJLQNQDSJE-QRVIBDJDSA-N 416.909 2.322 50 40 HEGB COc1cc(C)c(S(=O)(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1OC 26530498 ZSCLDKDMEAWQCS-UHFFFAOYSA-N 414.867 2.298 50 40 HEGB COc1cccc(/C=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1OC 31892799 KAIBVYSPOGDFKA-IWIPYMOSSA-N 410.518 2.280 50 40 HEGB N#CC1=C(O)NC(O)=C(C#N)C1c1ccc(C2C(C#N)=C(O)NC(O)=C2C#N)cc1 1624910 INJYGRLNWITMQL-UHFFFAOYSA-N 400.354 2.233 50 40 HEGB COc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2c(Br)cccc21 5093458 NRQRHJKBQXNXPN-UHFFFAOYSA-N 404.220 2.309 50 40 HEGB O=C(NC(=S)NNC(=O)c1cc2ccccc2cc1O)c1cccc([N+](=O)[O-])c1 6550098 YOKZGNWHEBPDTE-UHFFFAOYSA-N 410.411 2.403 50 40 HEGB COc1ccccc1NCC(=O)N/N=C\c1ccc(OC(C)=O)c(OC)c1[N+](=O)[O-] 30802630 MYRPEQNNKREDNY-FBHDLOMBSA-N 416.390 2.100 50 40 HEGB O=C(CCC(=O)OCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccccc1Cl 408646088 OJLIUPBYFAYLDG-UHFFFAOYSA-N 421.812 2.202 50 40 HEGB N#C/C(=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1ccccc1F 408810225 KDUKLNFDYMETHR-GAJOTYCWSA-N 408.414 2.278 50 40 HEGB N#CC1=C(N)n2c(s/c(=C/c3cccc(F)c3)c2=O)=C(C#N)[C@@H]1c1cccc(F)c1 706148 AQHHEOWNVBOGQG-VPDFPHFYSA-N 418.428 2.139 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1Cl 7927973 WUGOQSNZCBSXFB-LLVKDONJSA-N 402.794 2.062 50 40 HEGB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)c1cccc(N(C)C)c1 17252529 GMMACMIIXAJMNZ-UHFFFAOYSA-N 405.458 2.199 50 40 HEGB CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1 409352857 YZHSRPRGPCFWQF-UHFFFAOYSA-N 414.531 2.221 50 40 HEGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 6931228 YKKMZRQFXWVKCJ-UHFFFAOYSA-N 403.504 2.309 50 40 HEGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1)Nc1ccccc1Cl 409264855 GNHVWSPBTKZNSX-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB CCC(=O)c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 6029109 PTLDAYVHVFSZQI-UHFFFAOYSA-N 418.833 2.316 50 40 HEGB CCc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1 35108492 JJDCRSAXCOKENL-BKUYFWCQSA-N 403.504 2.337 50 40 HEGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 58912229 CSVVFYHWTSDEIT-TYLRVVQJSA-N 402.882 2.493 50 40 HEGB COC(=O)COc1ccccc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 59333364 FGXIAZPPYZELCW-CYVLTUHYSA-N 405.454 2.494 50 40 HEGB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O 408674119 YKJGLPNLFCTDHI-NSHDSACASA-N 401.331 2.470 50 40 HEGB O=C(N/N=C/c1sc(=O)[nH]c1-[n+]1ccc(-c2ccncc2)cc1)c1ccccc1O 13176036 CWEWESACPPIZQX-UHFFFAOYSA-O 418.458 2.245 50 40 HEGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 13476808 CCYZSDZHBGZZFB-UHFFFAOYSA-N 419.737 2.008 50 40 HEGB CC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 17329525 XGTJWAGWNQUDDD-UHFFFAOYSA-N 412.446 2.473 50 40 HEGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)c1 408789281 IIEHOHKRIWPHTI-XSFVSMFZSA-N 405.476 2.010 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)s1 12779629 GDNQMFMXPAYUNI-LBPRGKRZSA-N 422.304 2.320 50 40 HEGB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408676651 BBXHZLFCEBGTHZ-GOPUXOKLSA-N 423.259 2.381 50 40 HEGB O=C(NNS(=O)(=O)c1ccc(F)cc1F)[C@H]1Cc2c(ccc3ccccc23)O1 1394592 DCVHYNSHLQSRSO-QGZVFWFLSA-N 404.394 2.431 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c(OC)c1 19955327 IVEABWXLCUIYOD-CIAFOILYSA-N 419.503 2.237 50 40 HEGB C[C@H](C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1)N1C(=O)c2ccccc2C1=O 38198278 GQXDAHYESYYXAH-GFCCVEGCSA-N 416.393 2.056 50 40 HEGB O=C(N/N=C\c1cc(O)c(Br)cc1Br)c1cnccn1 67194078 HXFIAHGMSMXZGL-ZWSORDCHSA-N 400.030 2.471 50 40 HEGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cc(C)ccc2OC)cc1 4409777 OJYCHCBRNYGMRC-ZVHZXABRSA-N 412.446 2.472 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1 4480781 NCDWTTLIEPEDCH-RGVLZGJSSA-N 419.528 2.097 50 40 HEGB CCOc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1O 6539416 FQPRWOAJKNOQFJ-SRZZPIQSSA-N 419.503 2.145 50 40 HEGB COc1cc(C(=O)NNC(=O)c2cc(Cl)cn2C)cc(Br)c1O 12393784 BHRFWSZLKYDYDF-UHFFFAOYSA-N 402.632 2.230 50 40 HEGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)[C@@H]1COc2ccccc2O1 13597355 DKHGABQXORNFBN-YCTMVFBPSA-N 422.191 2.353 50 40 HEGB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 25386494 YKYJVXCNKGMECX-AMIZOPFISA-N 407.323 2.316 50 40 HEGB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NNC(=O)c3ccccc3F)sc2n1 29033431 LGIWOBXQDZUOBH-UHFFFAOYSA-N 416.434 2.252 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 409271485 LMBDWTQZBROFCP-DXRSZSRVSA-N 410.474 2.377 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 958290 YLAKFMSWWNOHBW-AUEPDCJTSA-N 424.482 2.274 50 40 HEGB CN(CC(=O)N/N=C/c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 6544416 OAJYJSYFAHTKDN-WOJGMQOQSA-N 410.293 2.220 50 40 HEGB CCC[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 6561582 JLGIKEDJVZXYFX-IBGZPJMESA-N 417.531 2.347 50 40 HEGB O=C(CCSCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 16982892 OYPNNXRUCQHQII-JFMUQQRKSA-N 414.487 2.212 50 40 HEGB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NNC(=O)c1ccccn1 32855971 IGZVYTDUELRHML-CYBMUJFWSA-N 410.377 2.365 50 40 HEGB CCn1c(S)nc2cc(C(=O)NNC(=O)c3ccc(Cl)cc3)ccc2c1=O 102855853 PHHRLFSZFUBTTN-UHFFFAOYSA-N 402.863 2.433 50 40 HEGB O=C(COC(=O)CCC(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccccc1 8414047 SDTPTORYIUCJBE-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB O=C(NNC(=O)N1CCCCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 9882169 DIQVPJZHXNKLNV-UHFFFAOYSA-N 422.551 2.482 50 40 HEGB COc1ccc(C(=O)NCC(=O)NNc2ccc(Br)cc2)cc1OC 32752824 RGHXSQZJHRNMGV-UHFFFAOYSA-N 408.252 2.339 50 40 HEGB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 14359708 WQVZBUZEYYYGHZ-BUSURWFDSA-N 415.534 2.306 50 40 HEGB Cc1ccc[n+]([C@@H]2C(=O)NC(S)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 32039570 RYSYUMGIFWOLNK-HOTGVXAUSA-O 412.407 2.219 50 40 HEGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334375 FFPLJOYIKORVSU-GHXNOFRVSA-N 410.211 2.307 50 40 HEGB Cc1cc(C)c2nc(NNC(=O)C(F)(F)F)c(NNC(=O)C(F)(F)F)nc2c1 227149647 RZEKDJJHXASADS-UHFFFAOYSA-N 410.278 2.257 50 40 HEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(F)cc1 5569792 DVSNYIHLJNMHKD-FBCYGCLPSA-N 408.183 2.406 50 40 HEGB COc1cc(C(=O)NNC(=O)CCN2CCSC2=O)ccc1OCCC(C)C 32819080 NQSREOHRAAKPIP-UHFFFAOYSA-N 409.508 2.440 50 40 HEGB C[C@H](CC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccc(F)cc1 95464988 AMXKHHPUEFXWDE-GFCCVEGCSA-N 407.305 2.146 50 40 HEGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)cc1C 6865836 VCXNYKBYHNQGCN-FSJBWODESA-N 410.474 2.296 50 40 HEGB CCn1nc(C(=O)NNC(=O)CCOc2cc(C)ccc2C)c2ccccc2c1=O 6454607 XQQBAQIFVXNSHX-UHFFFAOYSA-N 408.458 2.263 50 40 HEGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 9912487 KYEUIXKPLPBSNU-HNNXBMFYSA-N 422.485 2.200 50 40 HEGB CCn1c(NNC(=O)C[C@H]2Sc3ccccc3NC2=O)nc2ccccc2c1=O 11164427 XYDITESHPFSPGX-MRXNPFEDSA-N 409.471 2.363 50 40 HEGB CCOc1ccc(OCC(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1 16839285 DFRYMSFQCRJYAI-UHFFFAOYSA-N 421.453 2.135 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 20060362 OVVYBHPACBHKFU-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC 408914879 YJNZAZPPVGSZOU-HFITWMCCSA-N 419.503 2.399 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3cccc(C)c3)c(=O)c(C#N)c2C)c1 409051528 APNMAOPJKNPFME-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12C(C#N)=C(N)Oc1n[nH]c(C)c12 13479730 LVPDLJLZRFLHAY-HTAPYJJXSA-N 407.474 2.127 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 409027725 DPGQTLOQRMFMLP-FYJGNVAPSA-N 419.503 2.183 50 40 HEGB O=C(COC(=O)CCCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1 8433540 XQGVGRNPULYIFR-UHFFFAOYSA-N 417.849 2.453 50 40 HEGB Cc1ccc(NC(=O)NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 408726609 UIKFOKQTZIULCV-UHFFFAOYSA-N 412.498 2.156 50 40 HEGB NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Br)cc1 2117324 LTZFDTSFCCDTHS-ZROIWOOFSA-N 405.208 2.118 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)cc1 8088342 ZSQBIFLVZCGMSA-ZVHZXABRSA-N 408.458 2.019 50 40 HEGB CCN(CC)c1ccc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 15924886 WTXIJKKKUFOVPV-UHFFFAOYSA-N 407.474 2.163 50 40 HEGB CCN(CC)CN1C(=O)/C(=N\NC(=O)COc2ccccc2OC)c2ccccc21 20267643 QNSKHQNHOAISQJ-FLFQWRMESA-N 410.474 2.240 50 40 HEGB C/C(=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(/C)c1cccnc1)c1cccnc1 5641162 MELPHSILISUKLF-JBHTYQCFSA-N 412.519 2.367 50 40 HEGB O=C(/C=C/c1ccccc1Br)NNC(=O)[C@@H]1COc2ccccc2O1 12770630 FQTNEIAVDGCRRB-SCOAYWHSSA-N 403.232 2.450 50 40 HEGB CCn1nc(C(=O)NNC(=O)[C@H](C)SCc2ccccc2)c2ccccc2c1=O 40142832 MZFHDJKCRUZNKO-AWEZNQCLSA-N 410.499 2.499 50 40 HEGB O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1ccc(Br)o1 2177550 XTAFFUKAKAWNIW-FBCYGCLPSA-N 414.643 2.341 50 40 HEGB Cn1cc(-c2nc(C(=O)NNC(=O)c3ccc(Br)cc3)cs2)cn1 48234390 NTJCTAUMNFTHMS-UHFFFAOYSA-N 406.265 2.381 50 40 HEGB O=C(NNc1nc(N2CCCC2)nc(N2CCOCC2)n1)Nc1cccc(Cl)c1 408726971 WOPCUUFRTSRZCI-UHFFFAOYSA-N 418.889 2.110 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)cc1 2122011 VCPLCCOIYVQRGS-AFUMVMLFSA-N 408.502 2.277 50 40 HEGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)Cc3c[nH]c4ccccc34)CC2=O)cc1 9882834 KFVZMSSFPZSBCE-INIZCTEOSA-N 420.469 2.310 50 40 HEGB O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccc(F)cc1F 23109310 QBUHDBHDPOCVCK-UHFFFAOYSA-N 401.344 2.389 50 40 HEGB O=C(Cc1ccccc1)NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 32795074 QYWRTPHFAAWZDB-AWEZNQCLSA-N 416.275 2.192 50 40 HEGB O=C1OC(=O)[C@H]2C3C(c4ccccc4)=C(c4ccccc4)C([C@H]12)[C@H]1C(=O)OC(=O)[C@H]31 77904514 ADQKECWZKSJLHN-ICDVORIESA-N 400.386 2.489 50 40 HEGB COc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1OC 6607374 QZUJPRJFRDSGCA-SRZZPIQSSA-N 419.503 2.058 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1O 408765199 XHJQGVZJNMVNHW-CIPMJJFUSA-N 419.503 2.162 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)Cc1ccccc1 409139280 CBCFYOXNWZPNEW-YBFXNURJSA-N 424.320 2.361 50 40 HEGB O=C(C(=O)C(Br)Br)C(Br)Br 1560536 KWRKPHHVYJIBAG-UHFFFAOYSA-N 401.674 2.356 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)ccc1O 4502920 DQGGLBNCDVOTPT-CIAFOILYSA-N 419.503 2.324 50 40 HEGB CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc(Cl)c1O 6287202 CZFFBUAMVMGMSV-KEBDBYFISA-N 400.826 2.248 50 40 HEGB O=C(O)CCn1cc(/C=N\NC(=O)c2ccncc2)c(-c2cccc([N+](=O)[O-])c2)n1 9636880 GURBYZSVCOKKJL-NHDPSOOVSA-N 408.374 2.092 50 40 HEGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 9912489 KYEUIXKPLPBSNU-OAHLLOKOSA-N 422.485 2.200 50 40 HEGB Cc1cnc2c(S(=O)(=O)NNC(=O)c3cc(Br)cn3C)cccc2c1 23371898 PEWKPOVKALIQRF-UHFFFAOYSA-N 423.292 2.268 50 40 HEGB COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1O 31892767 TUXPHAKESXIOJS-XXZGICNZSA-N 407.220 2.453 50 40 HEGB CCOC(=O)[C@H]1CN(Cc2ccccc2)CC[C@]12C(C#N)=C(N)Oc1n[nH]c(C)c12 39324605 LVPDLJLZRFLHAY-VGSWGCGISA-N 407.474 2.127 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 104090394 QTTNQQQOFWPMJR-YQQAZPJKSA-N 407.536 2.304 50 40 HEGB CCCc1c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)nnn1-c1nonc1N 5500158 FDOFSOXCTRJNBJ-FBCYGCLPSA-N 409.237 2.256 50 40 HEGB CCn1nc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)c2ccccc2c1=O 6507297 HGYGWYPVCVQZHE-FYJGNVAPSA-N 411.487 2.078 50 40 HEGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 58881136 GWMXNDPUVOIPBZ-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c(OC)c1)S(C)(=O)=O 408771103 CHCPTPMOAGJLOE-FYJGNVAPSA-N 419.503 2.183 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 408773174 HFKAASUHXSENCO-CIAFOILYSA-N 419.503 2.237 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)c1 3573945 LCCJRZSEKHTCFN-KGENOOAVSA-N 417.487 2.252 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1Cl 408782732 YQJZFLJESQVDQQ-VXLYETTFSA-N 424.866 2.473 50 40 HEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2 33504720 SCYROYMDDFSVAN-JAIQZWGSSA-N 401.375 2.076 50 40 HEGB O=C(N/N=C\c1ccc(I)o1)c1cc([N+](=O)[O-])ccc1O 58900506 RSNMCNYXPYJHSM-NSIKDUERSA-N 401.116 2.262 50 40 HEGB COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@H]1[C@H](Br)[C@H](Br)[C@H]21 104195035 IKWBZJIIPSEQNE-HGLBZRFASA-N 406.070 2.218 50 40 HEGB Cc1nnc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)s1 408690243 ULHXUTJVYNBCNN-NZJLWHDDSA-N 421.114 2.129 50 40 HEGB COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(C)=O 4679859 BHWJYQJHJVEJGW-SRZZPIQSSA-N 402.403 2.410 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 6497029 NVGOHWKVOISKPJ-FOKLQQMPSA-N 416.865 2.252 50 40 HEGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 16479060 UDTUIEPJVXLHCQ-JJIBRWJFSA-N 422.510 2.465 50 40 HEGB O=C(NNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1ccccc1 40115864 QCMPGGCRHZSELD-UHFFFAOYSA-N 402.407 2.029 50 40 HEGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1 59267031 RCQNGRBOACRXQV-SSDVNMTOSA-N 407.386 2.469 50 40 HEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(N(C)C)cc2)c(C)c1 6414939 XWTIZVBTWUPNMM-LPYMAVHISA-N 416.547 2.449 50 40 HEGB Cc1sc2nc(CC(=O)NNC(=O)Cc3c(F)cccc3Cl)[nH]c(=O)c2c1C 9337167 MBBFNNJDFZXUJG-UHFFFAOYSA-N 422.869 2.327 50 40 HEGB O=C(N[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](I)[C@@H]1C[C@@H]32)OCc1ccccc1 238856749 XBTHKQKFXVBAQV-WFQJECDVSA-N 413.211 2.276 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 409261765 DHSSEVKFDCITHU-DXRSZSRVSA-N 410.474 2.377 50 40 HEGB CSCC[C@H](C(=O)NNC(=O)c1ccccc1F)N1C(=O)c2ccccc2C1=O 3348300 ZPMCSBWOYOVWDP-MRXNPFEDSA-N 415.446 2.005 50 40 HEGB O=C1c2ccccc2C(=O)c2c(NC[C@H](O)CCl)ccc(NC[C@H](O)CCl)c21 68601163 SYZOCKFTUCTLFQ-VXGBXAGGSA-N 423.296 2.485 50 40 HEGB biogenic O=C(NN(C(=O)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccncc1 100126212 CXOQJASOTUIIHO-IBGZPJMESA-N 414.421 2.201 50 40 HEGB COc1cccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)c1 408868072 LGXVVFQEMPUWJP-KEBDBYFISA-N 413.858 2.404 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 2176025 CZNRCFIUBKYMFW-VCHYOVAHSA-N 410.839 2.165 50 40 HEGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 16479513 FXSIVOVOHPSMLL-HZHRSRAPSA-N 408.483 2.423 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)ccc1O 408772362 ONOTYIAIVFWYQB-CIAFOILYSA-N 419.503 2.324 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)cc1 409028051 IZTRHEUQTGGRAJ-FYJGNVAPSA-N 419.503 2.183 50 40 HEGB Cc1ccc(OCc2nc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cs2)cc1 25050805 DEESRFAUIOTCRC-AWEZNQCLSA-N 409.533 2.136 50 40 HEGB CCOc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C(=O)OC)cc3)CC2=O)cc1 31942787 GDZCDDPETWVFED-SUVVMJBMSA-N 409.442 2.375 50 40 HEGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)Cc2ccccc2)cc1 59443691 NCDHTIAPPGSIHA-UHFFFAOYSA-N 416.503 2.348 50 40 HEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 103127594 SUJHMEYDTSBRJF-GQECICCTSA-N 413.474 2.337 50 40 HEGB CC(C)c1c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)nnn1-c1nonc1N 2394160 HAIFZUYPHGLGGC-QPSGOUHRSA-N 408.344 2.139 50 40 HEGB CN(C)c1cccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)c(Cl)c2)c1 4083856 OWFRQXXESGFHNF-UFFVCSGVSA-N 405.838 2.399 50 40 HEGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2Cl)cc1C 6402508 BFHXBWZWUUMVAL-UHFFFAOYSA-N 409.895 2.086 50 40 HEGB COc1ccc(CC(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 409359910 CJKODOYMMIVEAN-RGVLZGJSSA-N 403.391 2.322 50 40 HEGB CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1O 1575310 DPHNZBHPYDOCLO-DJKKODMXSA-N 406.782 2.441 50 40 HEGB O=C(NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 2064470 BFEBXEJZLSQBLS-UHFFFAOYSA-N 423.248 2.307 50 40 HEGB CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1=O 13004433 HGFDCKXXXDFTNI-UHFFFAOYSA-N 420.878 2.083 50 40 HEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1633127 UJKDDLCIUWQQGU-HZPDHXFCSA-N 402.794 2.389 50 40 HEGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1 2210635 TUUIMWMGGCTFLH-APWZRJJASA-N 421.453 2.341 50 40 HEGB CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)OC)=C(C#N)[C@H]1c1ccccc1Cl 2376843 BUNUZMSJCOITEI-CABCVRRESA-N 408.863 2.374 50 40 HEGB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 5861301 XNPBKUQQCFMBSA-SFHVURJKSA-N 408.414 2.419 50 40 HEGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 7928469 MKIBJIRFKLVDDW-CYBMUJFWSA-N 416.821 2.371 50 40 HEGB O=C(CCc1ccccc1)NNC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1 13880689 ZJSSZZHRKIMVEP-UHFFFAOYSA-N 423.391 2.441 50 40 HEGB O=C(NN[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 102922077 YYQNLKONDVSNMG-AWEZNQCLSA-N 422.319 2.180 50 40 HEGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H]2OC(=S)O[C@H]12 254140793 BPEOZWDRWRDXPZ-NFOTXUCKSA-N 423.571 2.397 50 40 HEGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1cccc(C(F)(F)F)c1 408586170 ANUIMIFDQFGYPY-UHFFFAOYSA-N 417.409 2.208 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409027328 AGCKLKWJVPFKRV-XDHOZWIPSA-N 404.448 2.074 50 40 HEGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)cc3)c(C)c(C#N)c2=O)cc1C 409062153 ONVHZDZBVHLGHX-MSXFZWOLSA-N 401.426 2.499 50 40 HEGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)c(O)c1 3170338 WQSWXPVZLFFSKB-AFUMVMLFSA-N 403.438 2.496 50 40 HEGB O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 9908976 BFYJWMLZCPLSAO-UHFFFAOYSA-N 405.451 2.075 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1cccc(C(F)(F)F)c1 20210967 MTADWKATVGVZBT-UFFVCSGVSA-N 400.382 2.017 50 40 HEGB COc1ccc(OCc2nnc(SCC(=O)NNC(=O)c3ccccc3)o2)cc1 7604853 NEWDIFFPIWGFFD-UHFFFAOYSA-N 414.443 2.211 50 40 HEGB COc1ccc(OC)c(NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 17087295 IKQHMAZOLUGYCZ-UHFFFAOYSA-N 406.420 2.009 50 40 HEGB CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 17195601 WTXQYTHFPVHCNP-UHFFFAOYSA-N 423.429 2.345 50 40 HEGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(Cl)c2)cc1C 2651335 LSJJINLRIOUTEM-UHFFFAOYSA-N 409.895 2.086 50 40 HEGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 5633226 OIVTXKYKLOENRT-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB C/C(=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(\C)c1ccncc1)c1ccncc1 8622485 QCONEEDYXGVAEP-AVJRFCSFSA-N 412.519 2.367 50 40 HEGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 9189967 NXWFVGUNEKQIKW-QFIPXVFZSA-N 400.394 2.123 50 40 HEGB Cc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)n1 14511401 NVVAIWLPLOAXQO-ZDUSSCGKSA-N 403.508 2.271 50 40 HEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1 32999583 CURDANFIZNLPSW-GJZGRUSLSA-N 414.462 2.210 50 40 HEGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 59101835 GAAXNPAGXKDNFD-DJKKODMXSA-N 422.235 2.261 50 40 HEGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCC(=O)OC 59334680 DVIXTVAWQLCZBR-SDQBBNPISA-N 411.252 2.395 50 40 HEGB Cc1cccc(-n2nc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)c1 409065748 MTQABYQZCHIXLZ-FMCGGJTJSA-N 416.397 2.393 50 40 HEGB COc1ccccc1CC(=O)NNC(=O)c1ccccc1I 10537250 BRCKPLYZIBZKSI-UHFFFAOYSA-N 410.211 2.304 50 40 HEGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N3CCCC3)cc2)cc1 58874017 KIVUUTKVPURPEJ-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)CCc3ccccc3)C2=O)cc1C 408530898 JTNXSXGNDABQIX-QGOAFFKASA-N 406.442 2.024 50 40 HEGB C[C@@H]1Sc2ccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2NC1=O 9885205 LIBUVLSMFALBQK-NSHDSACASA-N 409.471 2.010 50 40 HEGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 26966701 IQGFLXYWWFVWBW-KADHNRKRSA-N 401.400 2.065 50 40 HEGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3nc4nccc(C)n4n3)cc2)cc1 32991011 GPBUUACXRQBORS-UHFFFAOYSA-N 422.470 2.331 50 40 HEGB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NNC(=O)c1ccccn1 40142857 NTFBMVITJZZMJS-UHFFFAOYSA-N 418.379 2.302 50 40 HEGB CCc1ccc(OCC(=O)NN[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 6077928 NTZCOFREKHRMPT-ZDUSSCGKSA-N 416.434 2.193 50 40 HEGB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 8415801 QGNUFBNYMYRZSD-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3O)CC2)cc1 1445488 QKGKHTIYHLBJJD-KGENOOAVSA-N 401.488 2.252 50 40 HEGB O=C(N/N=C/c1cc(I)ccc1O)[C@H]1COc2ccccc2O1 2293599 KWDYBKUJSLWBIW-RIEVCORGSA-N 424.194 2.287 50 40 HEGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 6607007 GCWJGJGIUXBDCN-CIAFOILYSA-N 403.504 2.391 50 40 HEGB CCCc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1 12922852 SQXLREXECKMFSK-UHFFFAOYSA-N 400.298 2.363 50 40 HEGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)C12CC3CC(CC(C3)C1)C2 9584814 DILMBKZHCUKJMP-UHFFFAOYSA-N 424.295 2.136 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 408771087 DAGJAHVWCBFHTH-CIAFOILYSA-N 419.503 2.237 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408785802 CAOZOXMPDVTKIZ-CIAFOILYSA-N 417.487 2.006 50 40 HEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)c1 409155350 IKPOLQIVHMDQIW-OEAKJJBVSA-N 408.458 2.085 50 40 HEGB Cc1cc2c(c(=O)o1)[C@@]1(C(=O)Nc3ccc(C)c(Br)c31)C(C#N)=C(N)O2 969937 JPYJNDSGAPNJFO-GOSISDBHSA-N 414.215 2.344 50 40 HEGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C 3451315 XOAHNNIMGCFNBJ-QGOAFFKASA-N 421.453 2.498 50 40 HEGB CC(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4 4848542 LJFWTIYKKPOJTB-UHFFFAOYSA-N 416.532 2.355 50 40 HEGB COc1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 11706807 DWDNECKBJFAVIE-UHFFFAOYSA-N 421.247 2.005 50 40 HEGB CCn1nc(C(=O)NNC(=O)c2ccccc2Br)c2ccccc2c1=O 12926475 OFUVERWTJJTNED-UHFFFAOYSA-N 415.247 2.254 50 40 HEGB Cc1nc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)nn1-c1ccccc1C(C)C 72304784 YQENKLDCXTVKEC-UHFFFAOYSA-N 424.417 2.388 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1OC 408780771 JZMATKZKEDFNQT-FYJGNVAPSA-N 423.466 2.149 50 40 HEGB CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)ccc1O 408781284 BTKJJUCKMKVSHK-CIAFOILYSA-N 419.503 2.324 50 40 HEGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(N3CCCCC3)nc12 2204149 XZTJXORSGNGPOB-VJSYINPZSA-N 421.501 2.195 50 40 HEGB COc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1OC 4363613 BTXMCBCQYDOKME-ZXOFLVKFSA-N 405.476 2.009 50 40 HEGB CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 8561575 NRQDLQSTTLZQMS-UHFFFAOYSA-N 402.432 2.333 50 40 HEGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 408783957 OWBBRODBCBCSFK-VXLYETTFSA-N 424.866 2.473 50 40 HEGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1O 409243967 ZUPOSTKFOKMTJQ-QGMBQPNBSA-N 405.436 2.348 50 40 HEGB Cc1c(Br)cc(/C=N/NC(=O)CN2CCOCC2)cc1Br 15018777 COHSQLXYOQTDIV-CAOOACKPSA-N 419.117 2.302 50 40 HEGB COc1cc(Br)c(OC)c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 12735314 BOZVJQSVBUGCNI-UHFFFAOYSA-N 424.207 2.449 50 40 HEGB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)c2ccc(F)cc2)cc1 12811507 VTGBPULHMBIJTJ-GOSISDBHSA-N 419.478 2.139 50 40 HEGB CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1ccc(C(=O)OC)cc1 15082502 UOSOGIOLRZWVET-GFCCVEGCSA-N 423.454 2.421 50 40 HEGB Cc1cc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)ccc1Br 6266491 FXHHGTPKXWWNCD-QWHCGFSZSA-N 413.268 2.175 50 40 HEGB COc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 6328926 AHPUQGBTSWOKCV-UHFFFAOYSA-N 409.464 2.129 50 40 HEGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1cnccn1 36093663 XVOMOMJSCIOFGL-ZWSORDCHSA-N 400.030 2.471 50 40 HEGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3OC)c(C)c(C#N)c2=O)cc1 409075195 XFKOLQYGYYRYMK-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB CCc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 6542819 ZAWHFTUIKHMEJN-FYJGNVAPSA-N 419.503 2.037 50 40 HEGB CCOC(=O)COc1ccccc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 6955137 FKQIFLATLXCDSW-KEBDBYFISA-N 402.476 2.278 50 40 HEGB CC(C)(CCl)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851688 ZKZPRMZVWLXPBA-UHFFFAOYSA-N 413.913 2.183 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1 20207398 LBYYKMPTXBJCAX-RGVLZGJSSA-N 419.528 2.097 50 40 HEGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1 408922453 BAIIUOHDUDIJKD-GNUZOCDUSA-N 405.476 2.096 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 409256610 PQXDAEOHLYGONN-CHOFVFFHSA-N 414.437 2.208 50 40 HEGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OC)c2)ccc1OC 409311573 AVYUSAHXCSUHPG-NHDPSOOVSA-N 402.403 2.330 50 40 HEGB N#CC(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)=C1Nc2ccccc2N1 11617251 FJXCDPDHXRLIQM-UHFFFAOYSA-N 410.455 2.163 50 40 HEGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O 36079830 OOAPGLBUVDRABY-GIJQJNRQSA-N 404.335 2.136 50 40 HEGB COc1cc(/C=N\NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c(C#N)c2C)ccc1O 409059119 PKJNVHBVZYZNBN-MSXFZWOLSA-N 417.425 2.199 50 40 HEGB C=CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 3052090 BOCHCVAAHOTMTA-UHFFFAOYSA-N 411.314 2.498 50 40 HEGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)c1 20208507 HWRRYVAJFKSIOI-LPYMAVHISA-N 414.487 2.122 50 40 HEGB O=C(O)[C@H]1CC[C@@H](SS[C@H]2CC[C@@H](C(=O)O)C[C@H]2[N+](=O)[O-])[C@@H]([N+](=O)[O-])C1 5188112 YTXIIWPSMIAUGA-SQJYRNMJSA-N 408.454 2.165 50 40 HEGB O=C1[C@H]2[C@H](C(=O)N1c1ccccn1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 195379885 OYOUDKVZJGPDSU-YMOJUIGDSA-N 400.070 2.364 50 40 HEGB CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)NCc3ccccn3)cc2c1 199413035 DPPYGSBIBFZIJF-UHFFFAOYSA-N 423.473 2.209 50 40 HEGB C[C@@]1(c2cccc(NC(=O)NNC(=O)c3cc(-c4ccccc4)[nH]n3)c2)COC(=O)N1 1674583586 RZGFVBHWKYAGBT-NRFANRHFSA-N 420.429 2.498 50 40 HEGB COCCOc1ccc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cn1 65578495 ABYBCUGKIPFRJC-UHFFFAOYSA-N 416.406 2.252 50 40 HEGB COC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)OC)[C@@H]1[C@H]2[C@H](Br)[C@@H]1Br 254685799 ORAZXYAVSPPWHK-CPZRQDORSA-N 408.086 2.154 50 40 HEGB C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408781707 DEMDKUMMPYKSDS-XDHOZWIPSA-N 408.411 2.040 50 40 HEGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)cc1OC 408789949 OVQSOYRCWYFWKU-XSFVSMFZSA-N 405.476 2.010 50 40 HEGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1 409020117 LZAFXAIQMJJFIK-UCQKPKSFSA-N 411.458 2.005 50 40 HEGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1 5873470 LWZZMCJNRIIOFE-UHFFFAOYSA-N 400.391 2.173 50 40 HEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CCS(=O)(=O)c3ccccc3)cc2C1 6602916 PSSBQAHHEPSJHP-CYBMUJFWSA-N 406.529 2.498 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 6879453 SOGHQNCNEHGEJB-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB O=C(CCCC(=O)OCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1Cl 7939995 SPSXHQHXXLKDOW-UHFFFAOYSA-N 417.849 2.453 50 40 HEGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(SC)cc1 33366062 BHROUUJAFCEUPU-NDENLUEZSA-N 421.544 2.496 50 40 HEGB CC(C)c1c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N 2396045 YKJYHCFDMSVOOJ-QPSGOUHRSA-N 408.344 2.139 50 40 HEGB COCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2ccccn2c1=O 2439404 JFOMAWRMYAAHCH-DTQAZKPQSA-N 404.426 2.465 50 40 HEGB CCn1c(C)nc2cc(C(=O)NNC(=S)NC(=O)c3ccc(OC)cc3)ccc21 3199719 AIPGLPIZVGUWAQ-UHFFFAOYSA-N 411.487 2.323 50 40 HEGB COC(=O)CN1C(=O)/C(=N\NC(=O)c2cc3ccccc3cc2O)c2ccccc21 12417619 MFLRVRFBWUAKLF-ATJXCDBQSA-N 403.394 2.199 50 40 HEGB Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c(C)o1 32795363 OGOIAMSREDSQOY-GFCCVEGCSA-N 420.263 2.473 50 40 HEGB O=C(Cn1cc(Br)ccc1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 58394163 CRCZTVHNSRJRKO-UHFFFAOYSA-N 422.323 2.365 50 40 HEGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccc(Br)c1 408616704 ZWZXSERHILJVQT-GFCCVEGCSA-N 420.238 2.402 50 40 HEGB CN(C)c1ccc(/C=N\NC(=O)COc2ccccc2I)o1 408993756 FNQGLGQMGDXSPD-MFOYZWKCSA-N 413.215 2.479 50 40 HEGB CCc1nc2ccccc2n1CC(=O)NNC(=O)Cn1c(CC)nc2ccccc21 39984914 MZDAFAZZHJYXSW-UHFFFAOYSA-N 404.474 2.358 50 40 HEGB N#CC1=C(O)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccccc1I 3656944 BMBUFKKFTCLMIK-LSDHHAIUSA-O 418.214 2.327 50 40 HEGB COc1cccc(C(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1 6542450 WWUWCOANFCPNET-UHFFFAOYSA-N 406.442 2.206 50 40 HEGB O=C(COC(=O)/C=C/c1ccccc1)NNC(=O)c1ccc(Br)cc1 8433755 GUPDWTFADGXPFP-IZZDOVSWSA-N 403.232 2.467 50 40 HEGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 36245318 GEGJNJIEWKAVMY-DJKKODMXSA-N 418.362 2.445 50 40 HEGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 100035706 WOQSSTKSQYNWHO-LSHDLFTRSA-N 417.809 2.482 50 40 HEGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 408981971 WWVRTAIOAORLHQ-FYJGNVAPSA-N 413.455 2.326 50 40 HEGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 674774 KITHYPPJCPKVQU-UHFFFAOYSA-N 419.503 2.331 50 40 HEGB COc1cccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 1085741 CBMJWCDBSFEKTK-KNGGAZFVSA-N 401.488 2.307 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 6430368 DCLRAVMVGMANGA-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1Cl 20213195 KIMUCSPGDJDZMF-RQZCQDPDSA-N 401.897 2.326 50 40 HEGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc([N+](=O)[O-])cc2)=N/NC(N)=S)s1 5832256 BNIAWKZCZUSMNP-PQEZBVRXSA-N 419.492 2.073 50 40 HEGB NNC(=O)[C@@H](NC(=O)CC1c2ccccc2-c2ccccc21)[C@H](O)c1ccccc1 5489374 AWKYKUIXIWUJKN-XZOQPEGZSA-N 401.466 2.397 50 40 HEGB O=C1N=C(O)N(c2cccc3ccccc23)C(=O)/C1=C\NNC(=O)c1ccccc1 17138055 RFFXYNQCCNHALS-LGMDPLHJSA-N 400.394 2.446 50 40 HEGB O=C1c2ccccc2C(=O)c2c(NC[C@@H](O)CCl)ccc(NC[C@H](O)CCl)c21 68601167 SYZOCKFTUCTLFQ-TXEJJXNPSA-N 423.296 2.485 50 40 HEGB biogenic Cc1cc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)no1 100800973 IFPRZDPGAPGJEI-GLHZNEMISA-N 404.058 2.265 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 408769606 WUILASZYMHBBOV-CIAFOILYSA-N 419.503 2.237 50 40 HEGB N#CC1=C(N)C(C#N)(C#N)C2(CCC3(CC2)OCCO3)[C@@H]2CC3(CC=C12)OCCO3 663767 QGVWZGDFFYTLES-QGZVFWFLSA-N 408.458 2.153 50 40 HEGB CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 825376 AUYOBLBMFDJSIB-UHFFFAOYSA-N 401.419 2.136 50 40 HEGB C=CCC(=S)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 2335199 UGOJTAGAISEZHM-GFCCVEGCSA-N 401.941 2.265 50 40 HEGB N#C/C(=C/c1ccccc1)C(=O)NNS(=O)(=O)c1ccc(Br)cc1 3311028 ADSUBEQHYCXJAC-RAXLEYEMSA-N 406.261 2.366 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(CC)cc2)c1 8086151 JJKIDPBCXJWSPA-ZVHZXABRSA-N 408.458 2.019 50 40 HEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 34799059 UHWILSVYNBBETC-DEDYPNTBSA-N 413.390 2.032 50 40 HEGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6323096 JLVFFUDGFZKPAN-OAHLLOKOSA-N 401.488 2.461 50 40 HEGB COCCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1Cl 20029543 XJHZDWJMVVIQOM-QGZVFWFLSA-N 421.906 2.444 50 40 HEGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCC(N)=O 33752616 AGMPCYLAPLETTM-WYMPLXKRSA-N 407.426 2.485 50 40 HEGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(N)=O 408856049 PDLFSAKKQCSGQQ-OQFOIZHKSA-N 407.213 2.234 50 40 HEGB COc1ccc(-c2n[nH]c3c2[C@]2(C(=O)Nc4ccccc42)C(C#N)=C(N)O3)cc1OC 1087449 YRWOQMGRJPUPRR-JOCHJYFZSA-N 415.409 2.418 50 40 HEGB Cn1cc(Br)cc1C(=O)NN[C@H](C(=O)N1CCCC1)c1ccccc1 12878360 LXUSMMAZKKJGCB-INIZCTEOSA-N 405.296 2.386 50 40 HEGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc(OC)c1OC 13847730 KYBCKZUGVWVVEI-KEBDBYFISA-N 403.391 2.458 50 40 HEGB CCC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2626268 NLTFWYKIHTXDRV-UHFFFAOYSA-N 416.430 2.145 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1 408709023 WMBLLPIQGYBGCQ-UFFVCSGVSA-N 405.252 2.407 50 40 HEGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)OC 1105645 LTCPRCJOZLEXTJ-CIAFOILYSA-N 415.402 2.238 50 40 HEGB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccncc1 13016264 SZQXIUNRCXOZEH-OAHLLOKOSA-N 406.895 2.048 50 40 HEGB O=C(OCC1=C[C@H](Cl)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 35464193 QUOOWFYEPMIYFF-ZSYWTGECSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 408615381 PSKFOOUVUJPZDH-CYBMUJFWSA-N 402.248 2.263 50 40 HEGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)COc2c(C)cccc2C)c2ccccc21 13896946 KZFBKLZNQWJLLU-HIXSDJFHSA-N 409.442 2.112 50 40 HEGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1csc(-c2cccs2)n1 21967644 QSDRIVDVSDDFEC-UHFFFAOYSA-N 421.529 2.240 50 40 HEGB Cc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408686538 RTWYVHSEZVUUBC-CPWZOYSTSA-N 408.248 2.048 50 40 HEGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 35176907 IDHVAHGMEBFCON-BKUYFWCQSA-N 414.418 2.213 50 40 HEGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 408772367 OPOGWGMCFMOJDM-VXLYETTFSA-N 424.866 2.473 50 40 HEGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 902444 ZOHWQYXIRNXBMK-UHFFFAOYSA-N 405.451 2.075 50 40 HEGB Cc1cc(C(=O)CBr)c(CN2C(=O)c3ccccc3C2=O)c(=O)n1C 1683127 ZXQJUYHXMDUVBN-UHFFFAOYSA-N 403.232 2.068 50 40 HEGB C/C(=N\NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1cccc(Br)c1 13476635 KJYDIIQIOKABIA-SRZZPIQSSA-N 418.247 2.448 50 40 HEGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1C 14238634 NOUQBHMMKCASJT-UHFFFAOYSA-N 421.494 2.168 50 40 HEGB Cc1occc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120557 NFGPMHIKZNDUBT-ZDUSSCGKSA-N 409.364 2.417 50 40 HEGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)cc1OC 408781116 AJUMVCDYAFTXSA-RCCKNPSSSA-N 419.503 2.319 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1I 1054217 QBHITVCOTANKRP-ZNBBLSJYSA-N 410.211 2.484 50 40 HEGB O=[N+]([O-])N(CC[C@@H](Br)CBr)S(=O)(=O)c1ccccc1 3124862 UJMDUZOSYULNDL-SECBINFHSA-N 416.091 2.418 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 6477964 FHNXTNREVFZGKW-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB CCc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1 25061589 MJWBTCJTWYEESJ-GFCCVEGCSA-N 409.895 2.030 50 40 HEGB O=C(NNC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 40068956 UJORHGPXKZNEPN-UHFFFAOYSA-N 409.442 2.407 50 40 HEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 59434270 AWCSVMZMENKWIJ-DJKKODMXSA-N 406.782 2.354 50 40 HEGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408606067 LHVFHRJKPGDMBT-ZMOGYAJESA-N 417.437 2.016 50 40 HEGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Br)cc1 408607415 CVRDDWCSEAFAJW-UFFVCSGVSA-N 420.263 2.233 50 40 HEGB N#Cc1ccc(OCc2cccc(C(=O)NNC(=S)NC[C@@H]3CCCO3)c2)cc1 6925916 YFQYYYOBZWRGQI-IBGZPJMESA-N 410.499 2.425 50 40 HEGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 18193285 MOVZFCDIOBQMOD-ANKPHQHTSA-N 400.847 2.120 50 40 HEGB COCCCNC(=O)/C(C#N)=C/c1cc(Br)c(OCC#N)c(OC)c1 408806090 AFJLHZNLIXGSTJ-MDWZMJQESA-N 408.252 2.420 50 40 HEGB COc1cc(OC)cc(C(=O)NNC(=S)Nc2cc(OC)c(OC)c(OC)c2)c1 17092678 JNRFWFXOGJCTPH-UHFFFAOYSA-N 421.475 2.361 50 40 HEGB Cc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 20207787 ODRJWSMTZYKNSX-VXLYETTFSA-N 424.866 2.473 50 40 HEGB C/C(=N\NC(=O)c1nn(C)c(=O)c2ccccc12)[C@H](c1ccccc1)N1CCOCC1 39981969 YROZZAMUWDNZIV-KCOUNZPASA-N 419.485 2.113 50 40 HEGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccccn1 100567697 OYOUDKVZJGPDSU-QWVDLFJUSA-N 400.070 2.364 50 40 HEGB CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)o1 59087061 QQDRWTVXJFFKMP-GXDHUFHOSA-N 418.500 2.240 50 40 HEGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cccs2)c(=O)c1C#N 59639778 PFFQGZRXGUVPHI-FBCYGCLPSA-N 423.292 2.149 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 408780520 CQNBXHUMIZZGIC-YBFXNURJSA-N 404.448 2.128 50 40 HEGB CC(CO)(CO)C(=O)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000762 SBERJMNQHULLNK-UHFFFAOYSA-N 420.418 2.143 50 40 HEGB COc1ccc(CC(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1OC 991597 XIHKGHXLLORJIT-UHFFFAOYSA-N 400.456 2.409 50 40 HEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)O)c(Br)c1 2551962 KFROZYSGCHMBQK-UHFFFAOYSA-N 401.257 2.138 50 40 HEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 3088726 UGNNKYAEQJODLO-GIJQJNRQSA-N 404.335 2.049 50 40 HEGB CCc1ccc(OCC(=O)NN[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 6077945 NTZCOFREKHRMPT-CYBMUJFWSA-N 416.434 2.193 50 40 HEGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)cc1 8086164 ZTCFMZNNBKVOSE-AFUMVMLFSA-N 424.501 2.489 50 40 HEGB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCCl 10104444 JJJXQUOOSQLDSD-UHFFFAOYSA-N 403.845 2.192 50 40 HEGB C[C@H](SCc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 40144459 OVXYLLGKTIQLSQ-ZDUSSCGKSA-N 406.533 2.063 50 40 HEGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 58881085 RCPMJNGPXOFLAU-SSDVNMTOSA-N 416.865 2.332 50 40 HEGB CCOc1ccc(C(=O)NNC(=O)c2nc(NC(C)=O)ccc2Br)cc1 79045837 OBBSBNWSLNWGCX-UHFFFAOYSA-N 421.251 2.276 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)c1O 409073860 UEHYBKYLQOJTIA-MYKKPKGFSA-N 421.388 2.030 50 40 HEGB CC(C)n1nc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)c2ccccc2c1=O 13001432 WZJPWJSSBJYLKK-UHFFFAOYSA-N 418.409 2.159 50 40 HEGB O=C(COc1ccccc1F)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109286 UENCGGZBZMLQOD-UHFFFAOYSA-N 413.380 2.015 50 40 HEGB COc1ccccc1N1C(=O)C[C@@H](NNC(=O)c2ccccc2Br)C1=O 1240352 HEYJMUHJOIBAPV-CYBMUJFWSA-N 418.247 2.024 50 40 HEGB CC(C)n1nc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)c2ccccc2c1=O 13021253 LHTKMNNWFFGUPX-UHFFFAOYSA-N 420.878 2.254 50 40 HEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 20207934 FUCCSIQZMKNNQP-PXLXIMEGSA-N 416.503 2.260 50 40 HEGB Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 31971415 UKBFBUMYQMRATI-CYBMUJFWSA-N 411.849 2.110 50 40 HEGB Cc1ccc[n+]([C@H]2C(=O)NC(S)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 32039568 RYSYUMGIFWOLNK-JKSUJKDBSA-O 412.407 2.219 50 40 HEGB COc1cc(/C=N\NC(=O)Cn2c(C)nc3ccccc32)cc(OC)c1OC(C)=O 33342771 GHUSPEASOKXOOD-JJFYIABZSA-N 410.430 2.438 50 40 HEGB Cn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1-c1ccccc1 38170288 IAWFSMIIRCVDNQ-VXLYETTFSA-N 412.431 2.338 50 40 HEGB CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1ccc(OC)cc1)c1ccc(OC)cc1 59490229 JNRAADPPVZUKMC-RCCKNPSSSA-N 419.503 2.400 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C\c1cccc(Br)c1)C1CCCCC1 108993341 YXAFPYXOFOHHCJ-WQRHYEAKSA-N 416.341 2.494 50 40 HEGB CN1/C(=C(\C#N)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)Nc2ccccc21 100564040 NKSDXDFVRMVNIJ-HEHNFIMWSA-N 424.482 2.187 50 40 HEGB COc1cccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)c1 408880473 JFYCKWJDHKWOBV-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB Cc1cc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)c(C)o1 6602531 IWSJSLONUNEUCY-JTQLQIEISA-N 408.252 2.238 50 40 HEGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 13001441 KYVSKCBLAFGNDY-UHFFFAOYSA-N 419.528 2.096 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 408777891 LCZXNVAWPSACAD-AWQFTUOYSA-N 423.878 2.293 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 409023727 DMEYIYKECYLATK-FYJGNVAPSA-N 419.503 2.183 50 40 HEGB Cc1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 8413088 ZOTQCBOYNNINSS-UHFFFAOYSA-N 417.849 2.372 50 40 HEGB O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NNC(=O)c1ccco1 8640245 CODWASRZDYUZPN-UHFFFAOYSA-N 404.473 2.010 50 40 HEGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc2c(c1)OCO2 868311 RQFMWCYQCJLVFM-LSHDLFTRSA-N 422.397 2.439 50 40 HEGB COC(=O)c1ccc(Oc2c(C)n[nH]c2-c2ccc(OCC(=O)NN)cc2O)cc1 5218649 LSBBUXYJSBTCQK-UHFFFAOYSA-N 412.402 2.038 50 40 HEGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)CN1CCCc2ccccc21 5689788 LMASOINDKRQXJB-SFHVURJKSA-N 410.499 2.090 50 40 HEGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Cl)cc1C 9576097 XVLYGJKTPPNZKE-SLVCOGOPSA-N 419.890 2.340 50 40 HEGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 12857222 PUJPYMHPTZXOBL-KRWDZBQOSA-N 413.386 2.339 50 40 HEGB N#CC1=C(O)NC(=O)[C@@H]([n+]2ccccc2)[C@@H]1c1ccccc1I 2190310 BMBUFKKFTCLMIK-CABCVRRESA-O 418.214 2.327 50 40 HEGB O=C(O)CC[C@H](NC(=O)Oc1ccc(N(CCCl)CCCl)cc1)C(=O)O 3944260 IWDNRGMFTDZABC-ZDUSSCGKSA-N 407.250 2.377 50 40 HEGB CCOc1c(Br)cc(C(=O)NNC(=O)c2cccnc2O)cc1OC 12765389 XFQYDKLLCGSFAW-UHFFFAOYSA-N 410.224 2.032 50 40 HEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 40160243 NFTQRIIDUDVETN-GFCCVEGCSA-N 414.849 2.124 50 40 HEGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCC(=O)O 96835807 VKLYPIGXRLCADT-KSEXSDGBSA-N 409.398 2.236 50 40 HEGB CC(C)(O)C(=O)NNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 97105253 XPYDHYWBALJPCR-UHFFFAOYSA-N 405.248 2.212 50 40 HEGB N#C/C(=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1ccccc1F 408810245 KDUKLNFDYMETHR-HCYCVZQXSA-N 408.414 2.278 50 40 HEGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(N3CCOCC3)nc12 2203628 XDLKGFQGLPVFPN-SAPNQHFASA-N 421.501 2.195 50 40 HEGB CCCc1c(C(=O)N/N=C/c2c(Cl)cccc2Cl)nnn1-c1nonc1N 5478730 MPBCOFGRHJEWQL-FBCYGCLPSA-N 409.237 2.256 50 40 HEGB COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N/Nc1nnc(C)n1N 5932563 YDKAGQOOKWYCBR-KEBDBYFISA-N 416.313 2.048 50 40 HEGB O=C1NCCC[C@@H]1C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 100287919 KBTGCZUSVLWKFV-BHQWEUPHSA-N 410.861 2.233 50 40 HEGB N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc21 2331444 LGKKJFRATDUZRD-XHPQRKPJSA-N 423.860 2.241 50 40 HEGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)CCN1CCN(c2ccccc2)CC1 6123127 JBSDJPWCPROLIT-UHFFFAOYSA-N 419.529 2.460 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 8369231 NRYXRYURLVPFNY-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB COc1cccc(/C=N\NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)c1O 13548962 OANFPYUEFODNIC-JAIQZWGSSA-N 411.443 2.197 50 40 HEGB COc1ccccc1/C=N/NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1 19952627 IIHXYWUEGJFOSP-OEAKJJBVSA-N 424.482 2.436 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20493218 MPJJPYMJXDGJMJ-RGVLZGJSSA-N 423.878 2.043 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1OC 408784471 CGPKCOQEIYZKPM-FYJGNVAPSA-N 423.466 2.149 50 40 HEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)c(OC)c1 408909492 UPTWEWSJVHEBBM-WORIPGKHSA-N 424.457 2.405 50 40 HEGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1cccc(O)c1 8820233 CKMSWXVSBICNSK-MDWZMJQESA-N 419.509 2.116 50 40 HEGB COc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 19950643 HMYDJOKXGZQHQK-UHFFFAOYSA-N 405.476 2.411 50 40 HEGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(F)c(Cl)c1 8992040 PAOFYCUTLWGHMF-VBKFSLOCSA-N 418.856 2.316 50 40 HEGB CCOc1cc(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(=O)c1C#N 59942100 MCJMJAJEWCFTFD-ZVBGSRNCSA-N 417.809 2.139 50 40 HEGB CN1C(=O)/C(=N/NC(=O)c2ccc(Br)cc2)c2cc([N+](=O)[O-])ccc21 101065585 NQFMIRNNHZEVJL-NBVRZTHBSA-N 403.192 2.468 50 40 HEGB CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 2064495 LOBLBXCPOGPUFF-UHFFFAOYSA-N 402.432 2.333 50 40 HEGB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)cc1 101114720 MPWOLVNRGPUNSW-GZTJUZNOSA-N 406.394 2.318 50 40 HEGB Cn1cc(Br)cc1C(=O)NNC(=O)C[C@H]1Sc2ccccc2NC1=O 12393683 KAEHUFFLTUIHSE-CYBMUJFWSA-N 423.292 2.052 50 40 HEGB CCOc1ccccc1/C=N\NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 107969067 SAYLZQHLGRHVDA-QNGOZBTKSA-N 403.504 2.040 50 40 HEGB COc1ccccc1/C=N\NC(=O)c1nn(-c2cccc(C)c2)c(=O)c(C#N)c1C 409052386 DKGLBKCHVZKAQM-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccc(Cl)cc1 6985006 YJGLITGZXMENEO-GFCCVEGCSA-N 407.829 2.214 50 40 HEGB CCOc1cccc(-c2c(C(=O)N/N=C/c3ccsc3)nnn2-c2nonc2N)c1 9345189 DOJKUBZAFSTVBN-AWQFTUOYSA-N 424.446 2.124 50 40 HEGB CN(C)CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cc(Br)ccc21 100257250 HUIUJMLXYUSIRO-SILNSSARSA-N 401.264 2.449 50 40 HEGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C\c1ccc(Cl)cc1Cl 31870537 SOGORDJSGOFIBT-FQYUROGSSA-N 408.241 2.400 50 40 HEGB CC[C@@]12CSc3nc(Cl)ccc3N1C(=O)C(=O)N2C(=O)CCBr 2271987 LSVOBLPUTLOLCL-CQSZACIVSA-N 418.700 2.434 50 40 HEGB O=C(CN1CSCC1=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 16644686 GHKAHMHFUDTTCW-UHFFFAOYSA-N 419.890 2.213 50 40 HEGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(C)(=O)=O 20213886 FDSUQIDQYCNUTB-LPYMAVHISA-N 414.487 2.122 50 40 HEGB Cc1c(Br)c(C(=O)NNC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)nn1C 26771326 UMLOQIIXEDLSHJ-FXPVBKGRSA-N 402.362 2.425 50 40 HEGB COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 101498762 PMSPQYMVDBUITG-LVWGJNHUSA-N 422.485 2.385 50 40 HEGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(Cl)c1 103519629 LGRADWSNBMSOIF-FSEGOYHTSA-N 405.863 2.032 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c(C)c1 408685986 QTYSZYSCVHJBJF-LHVLRZJLSA-N 422.275 2.356 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)c1 408770702 AWZWWLSTWAVKIN-CIAFOILYSA-N 419.503 2.237 50 40 HEGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1 409187085 LUFRKISLWTZUOY-NHDPSOOVSA-N 415.402 2.454 50 40 HEGB N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@]12C(=O)Nc1ccccc12 4494688 PFDFXHOUTMYPBU-HXUWFJFHSA-N 400.354 2.309 50 40 HEGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1 13563138 YYFWWRUINQJRMQ-WSDLNYQXSA-N 418.417 2.062 50 40 HEGB O=C(N[C@@H](C(=O)N/N=C/c1ccco1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065308 BVWSBBGSHFIEBC-QNDYCBLQSA-N 415.409 2.138 50 40 HEGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 12857188 JBAGIKLBNDWPRC-SFHVURJKSA-N 412.398 2.159 50 40 HEGB O=C(CNC(=O)c1ccc(F)cc1F)NNC(=O)CC12CC3CC(CC(C3)C1)C2 32878967 AOEZFIICZPCLBK-UHFFFAOYSA-N 405.445 2.449 50 40 HEGB COC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 1708434 JEIMHXFAMSWVSI-MRXNPFEDSA-N 402.359 2.358 50 40 HEGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(N3CCCCC3)nc12 2204151 XZTJXORSGNGPOB-KJCUYJGMSA-N 421.501 2.195 50 40 HEGB C[C@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)NNC(=O)c1ccccc1 7820453 IVFQPIRWCPHLLF-AWEZNQCLSA-N 412.442 2.172 50 40 HEGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2Cl)CC1 59434026 WDYBOLSGFGKXSG-HYARGMPZSA-N 400.866 2.148 50 40 HEGB COCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl 408606014 KXXJLOFPLHYEII-FSJBWODESA-N 419.865 2.140 50 40 HEGB N#CC1=C(N)n2c(s/c(=C\c3cccc(F)c3)c2=O)=C(C#N)[C@H]1c1cccc(F)c1 706147 AQHHEOWNVBOGQG-YSLLPBIDSA-N 418.428 2.139 50 40 HEGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1 2075509 INSIQKBFUDHDCQ-UFWORHAWSA-N 420.219 2.275 50 40 HEGB COc1c(O)cc(/C=N/NC(=O)c2ccc(N)cc2)cc1I 8815973 AHYQTIZAPLSPRU-QGMBQPNBSA-N 411.199 2.352 50 40 HEGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 409024242 HVHDBZGXAZIJJR-FYJGNVAPSA-N 419.503 2.183 50 40 HEGB CSCC[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccc(SC(F)F)cc1 9728263 FBVHTPOLRYTSNQ-JTQLQIEISA-N 423.536 2.109 50 40 HEGB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CCCl 10104447 CQFKVAIHEGBRGA-UHFFFAOYSA-N 403.845 2.192 50 40 HEGB COc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1O 28615461 AQNTVPRTIXPSDN-SCDVKCJHSA-N 422.235 2.454 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OC 409118944 PDBPMSYDCYMOSW-CIAFOILYSA-N 423.466 2.149 50 40 HEGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)NCCCOC)=C2C#N)cc1 6355280 UNEGWKXXYHASTN-MRXNPFEDSA-N 403.504 2.310 50 40 HEGB CN(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1cc(Cl)ccc1Cl 6545125 KGQLAGVGYRGVOC-DJKKODMXSA-N 401.275 2.159 50 40 HEGB Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 8284152 HKMHBGDKMYSBKF-CQSZACIVSA-N 401.467 2.051 50 40 HEGB CCOc1ccc2oc(C(=O)NNC(=O)CN3C(=O)COc4ccccc43)c(C)c2c1 12851736 AKTGWJLOFSBXQM-UHFFFAOYSA-N 423.425 2.327 50 40 HEGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(F)cc1F 101132144 HJGIZZPFFGRPKD-BHGWPJFGSA-N 404.373 2.433 50 40 HEGB O=C(Cc1ccccc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408744454 ZZWWYLFSFZNNLV-UGVMZYNRSA-N 414.874 2.049 50 40 HEGB C=CCn1c(SCC(=O)NNC(=O)c2ccccc2C)nnc1-c1cccnc1 1443644 RRJQOSFFUHJCGH-UHFFFAOYSA-N 408.487 2.388 50 40 HEGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)NCc1ccccc1 3666581 VUONQXOEXXPMEN-NSHDSACASA-N 410.257 2.225 50 40 HEGB CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(OCC)c(OC)c2)c1C 7987049 CJWOBKWVUNNRHH-UHFFFAOYSA-N 403.435 2.290 50 40 HEGB O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 12855792 HJEPACUAEHDZLE-DOTOQJQBSA-N 404.513 2.102 50 40 HEGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNC(=O)Cc1ccccc1 12868948 KSJCQTOVIZCDPG-INIZCTEOSA-N 405.454 2.113 50 40 HEGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1)c1ccccc1 59959659 QQBLKBPTQBGTTF-GCMSVZMUSA-N 424.501 2.308 50 40 HEGB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(=O)CCl)N3[C@@H]1O 100375841 LAHDERDHXJFFJU-ZPHMIOOGSA-N 402.922 2.344 50 40 HEGB in-man CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1 408772095 ARVYNOYAIBQWBS-CIAFOILYSA-N 417.487 2.425 50 40 HEGB Cc1ccc(C)c(NC(=O)CC/C(=N\NC(=O)C(N)=O)[C@H](C)C(=O)c2ccccc2)c1 5681995 NIEJDMSJKLNKCG-XNZRBEMASA-N 422.485 2.499 50 40 HEGB Cc1cc(C)nc(NNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 11334093 ZNGWFQKPRMSCTP-UHFFFAOYSA-N 417.535 2.344 50 40 HEGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 20213634 XUGRUECUYALNSB-DEDYPNTBSA-N 400.485 2.489 50 40 HEGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1O 408764471 WZYRWUPRJOFHEX-MRUVXERFSA-N 419.503 2.162 50 40 HEGB COc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1O 31892763 TUXPHAKESXIOJS-CPIUSTHESA-N 407.220 2.453 50 40 HEGB CCOC(=O)/C(C#N)=C1\C(=O)N(CN2CCC(C(=O)OCC)CC2)c2ccccc21 39379248 MKQRWSBNTSZOPK-ZPHPHTNESA-N 411.458 2.106 50 40 HEGB C=CCOc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 39986601 QSYGDCBVPFOVNB-STZFKDTASA-N 401.488 2.331 50 40 HEGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCOCC3)nc3ccccn3c2=O)cc1 2205325 NDXNYSOSCKLRDT-SAPNQHFASA-N 415.453 2.385 50 40 HEGB O=C(CCC(=O)OCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1 8414377 XGICYXSUPMDGGI-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB Cc1cc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)no1 17413726 IFPRZDPGAPGJEI-YNWQELSMSA-N 404.058 2.265 50 40 HEGB COc1ccc(Cl)cc1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 101307602 DCAFKAZFXFQRQD-HEORQDOSSA-N 409.316 2.189 50 40 HEGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3Br)C2=O)cc1 986107 HWIQMLRVQVPMDN-OAHLLOKOSA-N 402.248 2.324 50 40 HEGB O=C(COC(=O)CCCC(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccccc1 8433494 NHFKGENCIGRIFY-UHFFFAOYSA-N 417.849 2.453 50 40 HEGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(CCCC#N)c3ccccc32)c([N+](=O)[O-])c1 9012056 QPMVPOMBYSMMLX-HIXSDJFHSA-N 421.413 2.453 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 15225692 BVJARZOVAWZBIF-BUVRLJJBSA-N 423.469 2.484 50 40 HEGB COc1ccnc(NNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)n1 46363436 NUBUOFXYESUKSJ-GASCZTMLSA-N 413.478 2.410 50 40 HEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)c1C 409153525 LMCKHKHYECAZHK-ZVHZXABRSA-N 422.485 2.393 50 40 HEGB O=C(N/N=C\c1ccc(O)c(I)c1)[C@H]1COc2ccccc2O1 31870525 JLLGVDMVAVDZGS-OADJVDCOSA-N 424.194 2.287 50 40 HEGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OCC)c2)cc1OC 409316853 RGYHPCVZIGRUHP-FMCGGJTJSA-N 415.446 2.121 50 40 HEGB Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(Br)c1 4657095 GVYLNUGFOUFXTC-NEPJUHHUSA-N 413.268 2.175 50 40 HEGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 101307916 NVCGXNYMMZEDNB-JYVUULFMSA-N 423.741 2.289 50 40 HEGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C1/C(=O)Nc2ccc(Br)cc21 103388163 CNOWAKCMGCDJEQ-UHFFFAOYSA-N 416.157 2.137 50 40 HEGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 223161532 PPJHTACUQKLEAH-OCKHKDLRSA-N 404.766 2.124 50 40 HEGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2247430 PIWJHLLCZACTNG-LIRRHRJNSA-N 407.426 2.283 50 40 HEGB Cn1cnnc1Sc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1[N+](=O)[O-] 3292653 JIBLPUGYYYPAQQ-UHFFFAOYSA-N 416.394 2.088 50 40 HEGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(N)=O)c(OC)c2)c(C)c1 408906443 BNDGINSEKQNTJT-ZMOGYAJESA-N 413.474 2.349 50 40 HEGB N#CC1=C(N)C(C#N)=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 1053048 AEQQMVVNIAQADM-KYSILRCISA-N 418.428 2.030 50 40 HEGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C(=O)OC)cc3)CC2=O)cc1 2349558 GDZCDDPETWVFED-WQGFDPGOSA-N 409.442 2.375 50 40 HEGB CCOc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC 107706360 RIZQJIHHBXHUQG-MOSHPQCFSA-N 411.524 2.138 50 40 HEGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccc(Cl)cc3)C(=O)NC2=S)cc1 408762678 LTHQPNLCZMTRJR-UNUHRMFVSA-N 414.874 2.428 50 40 HEGB Cc1cc(Br)cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)c1O 3081719 LPJMGSXCGOBJRK-ODCIPOBUSA-N 408.227 2.482 50 40 HEGB COc1ccc(/C=N/NC(=O)CC(=O)NC(C)(C)Cc2ccc(O)cc2)cc1OC 4557789 XWTHQORMNMPRLU-OEAKJJBVSA-N 413.474 2.387 50 40 HEGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCNC(=O)c1ccc(Cl)cc1 6405113 NKEDSJGKUYENKP-GFCCVEGCSA-N 407.829 2.214 50 40 HEGB COc1cc(C(=O)NNC(=O)C[C@@](O)(c2ccccc2)C2CC2)cc(OC)c1OC 95972713 WBRMVFRGHAXCRA-JOCHJYFZSA-N 414.458 2.161 50 40 HEGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1c[nH]c2ccccc12 1105975 XHNDWKSCPSPPOF-AUEPDCJTSA-N 400.402 2.300 50 40 HEGB O=C(N/N=C/c1cc(Br)ccc1O)[C@H](c1ccncc1)N1CCOCC1 20029345 WCSXSFXABUGTAD-RHLNUJDMSA-N 419.279 2.073 50 40 HEGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccco1)C(=O)N[C@@H]1CCS(=O)(=O)C1 27061902 SZWOGNHRVNPRKH-GSPCDJLXSA-N 422.466 2.343 50 40 HEGB CCOc1ccc(C(=O)NNC(=O)CCCn2c(=O)oc3ccccc32)cc1OC 6558047 LVQVBURCZWITMN-UHFFFAOYSA-N 413.430 2.243 50 40 HEGB O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 12789995 SPSUYSLWTLFZQJ-UHFFFAOYSA-N 402.350 2.100 50 40 HEGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 13146206 BCJORMYBYBZKSN-KGENOOAVSA-N 415.471 2.354 50 40 HEGB O=C(OC[C@@]1(O)[C@@H](Cl)C=C[C@H](OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 13386232 OZXFMXVSIMKHPG-RYLXDESZSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)c(C)c1 16284770 CEAPJGRVXSJNKP-LPYMAVHISA-N 414.487 2.122 50 40 HEGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 26688125 XNGCGLGWRWIFOP-CNELAYHGSA-N 401.400 2.065 50 40 HEGB CN1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Cl)cc(Cl)c21 79501459 CMOZQPZXDNCZOY-GOSISDBHSA-N 405.241 2.094 50 40 HEGB COc1ccc(/C(C)=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(O)c1 102656146 QGOZMQYIKLLDOO-KGENOOAVSA-N 417.487 2.339 50 40 HEGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 408906426 JGXIXXIBBYXLID-REIAIGDLSA-N 414.418 2.411 50 40 HEGB CC(C)(Br)C(=O)NNC(=O)[C@]1(C)CC1(Br)Br 2334133 YLCIZTJEPGDYLB-QMMMGPOBSA-N 420.927 2.203 50 40 HEGB O=C(CSc1nnc2ccccn12)NNC(=O)c1ccccc1Br 5212894 AGJHHJUHPAUQDB-UHFFFAOYSA-N 406.265 2.045 50 40 HEGB CN1C(=O)/C(=N/NC(=O)c2cccc(I)c2)c2ccccc21 12362724 BEYNDHVNDWRSPI-NBVRZTHBSA-N 405.195 2.402 50 40 HEGB O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(=O)n(Cc2ccccc2)c1 16839246 DOPUMDJSIMDKDR-UHFFFAOYSA-N 415.405 2.078 50 40 HEGB C/C(=N\NC(=O)c1ccc(C)cc1C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 13459871 YCOYMBVXJHDKKQ-PXLXIMEGSA-N 417.487 2.210 50 40 HEGB COC(=O)c1c(NC(=O)C(=O)NNc2ccccc2)sc2c1CC(C)(C)OC2 6760655 IRQSWGVCVAHROI-UHFFFAOYSA-N 403.460 2.468 50 40 HEGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H]2OC(=S)O[C@@H]12 195492911 BPEOZWDRWRDXPZ-BTABJRDXSA-N 423.571 2.397 50 40 HEGB O=C(COC(=O)CCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccccc1Cl 408666527 UZWBLQHKKAVLDR-UHFFFAOYSA-N 421.812 2.202 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409169946 TVDPVQILAQWQCS-LSFURLLWSA-N 423.256 2.207 50 40 HEGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2cccc(Br)c2)cc1 4086424 TUMDINJQRALFIN-SRZZPIQSSA-N 404.264 2.267 50 40 HEGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cc2c(s1)-c1ccccc1CC2 10104723 SUKZNWISCMFBJU-LBPRGKRZSA-N 404.513 2.100 50 40 HEGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(I)o2)c1 408996665 MDIRGYGVAJPGJG-MFOYZWKCSA-N 413.215 2.479 50 40 HEGB CSc1ccc(Cl)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 12803366 ONMGQCFWUCLKSH-UHFFFAOYSA-N 412.924 2.430 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 409185070 RHNGWOQTTAAHQC-KGENOOAVSA-N 417.487 2.176 50 40 HEGB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408688626 WKEITTXGDDEAJV-QAKAVFCJSA-N 408.248 2.048 50 40 HEGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1 408925790 PVTUNSOYSPXGFG-HFITWMCCSA-N 419.503 2.486 50 40 HEGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(F)c(Cl)c1 8990262 ATYALWXLPIJGHT-QENILXLESA-N 423.853 2.171 50 40 HEGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(F)c(Cl)c1 102675947 ATYALWXLPIJGHT-ZBQKXELDSA-N 423.853 2.171 50 40 HEGB O=C(N/N=C/c1cccc(O)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408970265 DXCOMNDBUKWTEM-FYJGNVAPSA-N 405.451 2.082 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 6868101 VYQNKWNNWLUXSK-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB COc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1Br 12570387 AJDYGSAJYIGLKY-UHFFFAOYSA-N 414.306 2.469 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1 59435826 HZQDHQPMICURFV-VXLYETTFSA-N 404.220 2.325 50 40 HEGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)C(=O)NCc1ccccc1 100544243 YXJBURICIJMBDD-ZMOGYAJESA-N 416.865 2.486 50 40 HEGB Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc1C 2551581 PEOMLCSUGDYKQW-UHFFFAOYSA-N 416.478 2.497 50 40 HEGB O=C(/C=C/c1cccc(Br)c1)NNC(=O)[C@H]1COc2ccccc2O1 3360538 ONURFLLWZDIIPX-ROJDOSBLSA-N 403.232 2.450 50 40 HEGB COc1cc(-c2nnc(SCC(=O)NN)n2-c2ccccc2)cc(OC)c1OC 4201753 OKUJJVRTXLYGAY-UHFFFAOYSA-N 415.475 2.042 50 40 HEGB Cc1cccc(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 95471548 HQMNSIMZGHJCNG-XNTDXEJSSA-N 409.358 2.145 50 40 HEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 14920473 KULIWSBFKWNOQS-XNHPLOEXSA-N 411.374 2.258 50 40 HEGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 19954338 LIIKJOUDDPVQDF-RGVLZGJSSA-N 423.878 2.043 50 40 HEGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2cccc3ccccc23)cc1 895361 LXCJBHRIJVJKMP-UHFFFAOYSA-N 414.439 2.015 50 40 HEGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NNC(=O)c1ccco1 2205312 YMGSZRBZFDZKCG-UHFFFAOYSA-N 420.454 2.476 50 40 HEGB Cc1c(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409064878 IPZHZWHJOOMHCF-KSEXSDGBSA-N 420.360 2.224 50 40 HEGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 409163635 VITOISMOIKAXQB-LSFURLLWSA-N 423.256 2.207 50 40 HEGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 2270146 PXZGNGVADZIYNL-AWEZNQCLSA-N 407.220 2.247 50 40 HEGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)cc1 8086046 KZQLZNBWNSWACL-AFUMVMLFSA-N 424.501 2.489 50 40 HEGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)c1 14250170 UUBRKSCJPJTZSP-UHFFFAOYSA-N 421.906 2.083 50 40 HEGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)cc1O 59498815 IYCIZZSCQKMBAC-VXLYETTFSA-N 405.480 2.320 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(OC)c1 408789034 IJZKZMCRKZKWBU-CIAFOILYSA-N 419.503 2.237 50 40 HEGB COCCNC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 409310599 BGEZFRLDVLLJKR-CYBMUJFWSA-N 424.320 2.284 50 40 HEGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 5295949 YKYJVXCNKGMECX-SDBXPKJASA-N 407.323 2.316 50 40 HEGB COc1cc(C(=O)NNC(=O)CN2CCC[C@@H]2c2cccs2)cc(OC)c1OC 14245310 GMEBJRQLOWNRPG-CQSZACIVSA-N 419.503 2.372 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1Cl 408772899 NWBGXAXQUKKRIM-KEBDBYFISA-N 423.878 2.263 50 40 HEGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 408907144 LJMLMMBLSXJZKJ-KGENOOAVSA-N 419.503 2.400 50 40 HEGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 3045169 WLVFJBHFANEYMM-YBFXNURJSA-N 410.415 2.391 50 40 HEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 14920470 KULIWSBFKWNOQS-RONKMWSCSA-N 411.374 2.258 50 40 HEGB CCOc1ccc(CCNC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OCC 40024960 HFJXNKJZYDCOTG-UHFFFAOYSA-N 415.446 2.399 50 40 HEGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O 408775246 GCVPGFGKSZMMMF-VXLYETTFSA-N 424.866 2.473 50 40 HEGB Cc1cc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)no1 4592884 IFPRZDPGAPGJEI-INOVNWHDSA-N 404.058 2.265 50 40 HEGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1OC 7813078 OXKPDHAKJKNWIT-AFUMVMLFSA-N 421.453 2.372 50 40 HEGB CSc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 35105219 SJKXFEDWHJCAJW-ZHZULCJRSA-N 405.545 2.363 50 40 HEGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)cc1 59246431 JAEYBQCHTKSSAZ-UCQKPKSFSA-N 412.490 2.053 50 40 HEGB COc1cccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)c1 408876367 LBKPXOMNADOKGA-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB N#CC1=C(N)n2c(s/c(=C\c3ccc(F)cc3)c2=O)=C(C#N)[C@H]1c1ccc(F)cc1 704334 OLSDVFIWUQYFJI-MAYQHFBPSA-N 418.428 2.139 50 40 HEGB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc2c(c1)OCO2 3342590 PWUYTZSHVHLHFK-GZIVZEMBSA-N 418.335 2.238 50 40 HEGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC 33645958 IVTLTYNMIVEGMQ-WSDLNYQXSA-N 416.430 2.418 50 40 HEGB O=C(COc1ccc2c(c1)CCC(=O)N2)NNC(=O)c1cc(-c2ccccc2)on1 40057539 ROWYGJVBYJWWHA-UHFFFAOYSA-N 406.398 2.066 50 40 HEGB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408687249 TYVSRUBDGGFVDE-ZXNRBLBOSA-N 411.208 2.113 50 40 HEGB Cc1cccc(-n2nc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)c(C)c(C#N)c2=O)c1 409057261 KBWYAYFLYLOABX-MSXFZWOLSA-N 415.409 2.183 50 40 HEGB O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1cncc(Br)c1 6648455 GDMOEAREPHDOJQ-UHFFFAOYSA-N 404.199 2.244 50 40 HEGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 19954889 YKDALWNZQRWDQB-KGENOOAVSA-N 419.503 2.400 50 40 HEGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 12857216 PUJPYMHPTZXOBL-QGZVFWFLSA-N 413.386 2.339 50 40 HEGB O=C(OC[C@]1(O)[C@H](Cl)C=C[C@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 14924129 OZXFMXVSIMKHPG-OOSNJVJTSA-N 402.830 2.338 50 40 HEGB biogenic,in-vitro Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408677452 BXOYHOBLKUYGHQ-YTKNBERCSA-N 408.248 2.048 50 40 HEGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 9189966 NXWFVGUNEKQIKW-JOCHJYFZSA-N 400.394 2.123 50 40 HEGB CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C/c2c[nH]nc2-c2cccs2)c1 40024713 JSNQOHOTWLYZLC-YBFXNURJSA-N 403.489 2.152 50 40 HEGB CCOc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1OCC(N)=O 83292770 LTLQTNYBIIFNPM-FBHDLOMBSA-N 420.263 2.476 50 40 HEGB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 102255120 WQVZBUZEYYYGHZ-XFFRTTRVSA-N 415.534 2.306 50 40 HEGB Cc1cc2c(c(=O)n1CCO)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 4851037 JRAFAHBNSAMGGM-HNNXBMFYSA-N 402.248 2.130 50 40 HEGB CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 36206868 VJKBVYOCCBDMSY-GIJQJNRQSA-N 404.335 2.136 50 40 HEGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccccn1 245230309 OYOUDKVZJGPDSU-IJSGRZKHSA-N 400.070 2.364 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c(OC)c1 408926379 SJWBXUIIVMQCSK-CIAFOILYSA-N 419.503 2.237 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3cccc(C)c3)c(=O)c(C#N)c2C)c1O 409057828 MKBZSUFMBWSBAJ-MSXFZWOLSA-N 417.425 2.199 50 40 HEGB CCC1=C(C(=O)OC)[C@@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1 5055015 PNAMZCDCYAWFGC-KRWDZBQOSA-N 404.220 2.200 50 40 HEGB Cc1c(Br)c(C(=O)NNC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nn1C 6526693 UMLOQIIXEDLSHJ-WCABBAIRSA-N 402.362 2.425 50 40 HEGB O=C(NNC(=O)c1ccccc1I)c1cccc([N+](=O)[O-])c1 12571881 UNEVLKDDNBMOLR-UHFFFAOYSA-N 411.155 2.274 50 40 HEGB Cc1ccc(NC(=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)/C2=N\NC(N)=O)cc1C 102916214 ZWWXPVJTVNPBJW-ATAOFQGQSA-N 421.457 2.073 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 6430339 HTJWZMZIFAWHKY-FSJBWODESA-N 416.865 2.334 50 40 HEGB O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccco1 408730844 JINZPJUDOXJQTP-RQZCQDPDSA-N 415.391 2.376 50 40 HEGB O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccncc3)sc2=O)c1 2329044 DWTWJHITMQZRLY-ZVBGSRNCSA-N 416.846 2.469 50 40 HEGB CCCn1nc(C(=O)NNC(=O)CCN2[C@@H](C)CCC[C@@H]2C)c2ccccc2c1=O 3334136 XYKPGYCJSUOXDH-HOTGVXAUSA-N 413.522 2.221 50 40 HEGB C[C@@H]1Sc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2NC1=O 5704327 AMBFRQLMQMYHQX-MNOVXSKESA-N 403.435 2.487 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 6295746 VRUORWGKGZQYHF-FSJBWODESA-N 414.849 2.110 50 40 HEGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 14197429 FCTJDMINDCVYGK-UHFFFAOYSA-N 403.243 2.388 50 40 HEGB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccccc1Cl)C2=O 32975860 IQEONEYGOUVMKS-YUNKPMOVSA-N 420.897 2.238 50 40 HEGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1OC)S(C)(=O)=O 408790024 QHOKIXXSXKJKBX-DEDYPNTBSA-N 405.476 2.010 50 40 HEGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(F)cc3)c(C)c(C#N)c2=O)cc1 409052400 DPEIYEGMDQUMFL-MSXFZWOLSA-N 405.389 2.324 50 40 HEGB COc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(C)cc2)c(=O)c(C#N)c1C 409061717 GOFJLSFWTRPFNB-CFRMEGHHSA-N 401.426 2.494 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 409170393 VBNUQFNDLNDCNQ-LSFURLLWSA-N 423.256 2.207 50 40 HEGB Cn1c(O)c(C(=O)NNC(=O)c2ccccc2Br)c(=O)c2ccccc21 15990540 RHJSLNUTQMTSTJ-UHFFFAOYSA-N 416.231 2.081 50 40 HEGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccnc1 239579009 DDLAHPMIMLVXEQ-UCFKJQRDSA-N 400.070 2.364 50 40 HEGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc([N+](=O)[O-])c1O 409231788 MFOIJJHWUYVGII-QGMBQPNBSA-N 405.436 2.348 50 40 HEGB Cc1cc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)no1 1833883 IFPRZDPGAPGJEI-DJLSJFCQSA-N 404.058 2.265 50 40 HEGB O=C(COc1ccc(Br)cc1)NNC(=O)c1cc2ccccc2oc1=O 3369737 PJMZTLCUPVFNMZ-UHFFFAOYSA-N 417.215 2.396 50 40 HEGB COc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 6456193 VWVQBVRWXMAYCI-CIAFOILYSA-N 403.504 2.391 50 40 HEGB O=C(O)Cn1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c2ccccc21 5741159 AXPAQPYCUJWFMT-PKOLSWDWSA-N 418.453 2.192 50 40 HEGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)NC1(C(F)(F)F)Oc2ccccc2O1 1470964 MNXLDXYQCASCCA-UHFFFAOYSA-N 412.280 2.226 50 40 HEGB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NNC(=O)[C@H]1COc2ccccc2O1 12770793 KFONHXVCYOVFOV-SQRWCISFSA-N 402.790 2.069 50 40 HEGB Cc1ccc(C(=O)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1C 12944152 PXEUEZASJXKXLJ-UHFFFAOYSA-N 409.467 2.427 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 35314711 GXXJLMPTLBPTMX-ZDLGFXPLSA-N 416.887 2.293 50 40 HEGB Cc1nnc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)s1 408684673 KFBGYNGFSWGCDO-XUTVFYLZSA-N 409.103 2.273 50 40 HEGB CCOC(=O)Cn1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc21 409219288 PEOXRTGSEAEQMP-YSURURNPSA-N 422.441 2.495 50 40 HEGB O=C(COC(=O)CCCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1ccccc1 8417550 UWUXFACBKLRMSV-UHFFFAOYSA-N 417.849 2.453 50 40 HEGB COc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc(I)c1O 30802936 TYVNLMSLNAYAJO-WSVATBPTSA-N 411.199 2.473 50 40 HEGB CCOc1ccc([C@H]2C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)cc1OCC 2268360 PCMIXKOJIHGFFI-SFHVURJKSA-N 416.430 2.282 50 40 HEGB COc1ccc(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1OC 3107990 XBEYLDRIQROEPJ-UHFFFAOYSA-N 418.247 2.481 50 40 HEGB CCOc1cc(I)cc(/C=N/NC(=O)c2cc(C)n[nH]2)c1O 5408510 VLPSXZKWMAAVPU-FRKPEAEDSA-N 414.203 2.191 50 40 HEGB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(=O)CCl)N3[C@@H]1O 100375832 LAHDERDHXJFFJU-VVAQJIMOSA-N 402.922 2.344 50 40 HEGB in-man O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(O)cc1O 1051635 FOHHKWBYFBLFGR-QGMBQPNBSA-N 411.199 2.265 50 40 HEGB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NNC(=O)c1ccco1 12754706 YYZGUDACYYIENU-AWEZNQCLSA-N 408.252 2.258 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(C)c2)cc1Cl 34846812 XEOVZJCERLYIRW-JAIQZWGSSA-N 409.895 2.428 50 40 HEGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 408774933 YYRPSMWOUPTHAQ-XGICHPGQSA-N 411.252 2.441 50 40 HEGB O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3408777 FDQHAHPQKAHIHW-UHFFFAOYSA-N 407.879 2.199 50 40 HEGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(C)ccc(C)c2[nH]c1=O 4132094 CMLBPDGSAMIYBS-SFHVURJKSA-N 409.442 2.416 50 40 HEGB C[C@]1(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1(Br)Br 2344531 RCCLAFYUGFHAPL-LLVKDONJSA-N 421.045 2.252 50 40 HEGB CN(C)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 2617015 NRHRYGQIXNVVCH-UHFFFAOYSA-N 420.263 2.133 50 40 HEGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(OCC(N)=O)cc1 6439055 AIIZSFXGGPQDCG-IBGZPJMESA-N 419.437 2.333 50 40 HEGB CCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1OC 21187535 GDEMKBLTHNNYEF-UHFFFAOYSA-N 422.459 2.114 50 40 HEGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 100787305 SCEDUBRTYYDOGZ-RQZCQDPDSA-N 404.378 2.202 50 40 HEGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 8159180 NPOCWLJPKARESE-HZPDHXFCSA-N 401.488 2.062 50 40 HEGB CC(/C=C/c1ccc(N(C)C)cc1)=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C 9453748 QQHTZGPTXSLVEN-HJABZNHRSA-N 423.481 2.241 50 40 HEGB O=C(NNS(=O)(=O)c1c(F)cc(F)cc1Br)c1ccccc1O 16130906 WEHQIYCCRABLBU-UHFFFAOYSA-N 407.192 2.056 50 40 HEGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1cccc(Cl)c1 20209520 KGJWZNFGGMZWBJ-CIAFOILYSA-N 420.878 2.159 50 40 HEGB COc1ncccc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 32759465 FTECEVWLFMUMQC-UHFFFAOYSA-N 414.425 2.413 50 40 HEGB Cc1cc(C(F)(F)F)nn1Cc1noc(C(=O)N/N=C/c2ccc(C#N)cc2)n1 36614884 KSZQUYISJXRVRU-GZIVZEMBSA-N 403.324 2.277 50 40 HEGB COc1ccccc1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 408985413 ASUUVIRXURWUOE-BPDXMKQKSA-N 421.457 2.406 50 40 HEGB CCc1ccc(OCC(=O)NN/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 2532717 TWRUAWJFYWMWOM-UHFFFAOYSA-N 411.867 2.205 50 40 HEGB COc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1O 95346058 PXCHWLGRDZQSEG-YDZHTSKRSA-N 416.909 2.322 50 40 HEGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OC 408783900 OLEYWUTUHONQPO-CIAFOILYSA-N 419.503 2.237 50 40 HEGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)CN3CCOCC3)c2)cc1C 409005991 GUUNUOUVPLVANG-OYKKKHCWSA-N 424.501 2.103 50 40 HEGB O=C(NNC(=O)c1ccccc1F)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 9254891 WULNRNXYJWXGBM-UHFFFAOYSA-N 423.441 2.214 50 40 HEGB COc1ccc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1OC 13619726 YALGWXSDQWWBRE-KRWDZBQOSA-N 400.431 2.336 50 40 HEGB C[C@@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 23187863 FWHHBKMBDPQOHD-TZMCWYRMSA-N 408.483 2.497 50 40 HEGB CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408690819 WVMSYEYUHUXWFB-OJVARPOJSA-N 408.248 2.373 50 40 HEGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc(Br)c1O 20086770 ISECVMZZTARDNN-CQSZACIVSA-N 418.247 2.389 50 40 HEGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccc(F)cc1 8820289 OVVYPXRJPPTDRN-GXDHUFHOSA-N 419.459 2.471 50 40 HEGB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)OC(C)(C)C 14235793 HDSYTHKXKAYPPJ-CYBMUJFWSA-N 405.904 2.199 50 40 HEGB CCOC(=O)C(=N\Nc1ccc(Br)cc1)/C(N)=C(\C#N)C(=O)OCC 20028397 RQFRPFRUKJQFQI-MWQUPTALSA-N 409.240 2.080 50 40 HEGB CCNC(=O)COc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1OC 40161319 WQQRJNODMFVLMI-WYMPLXKRSA-N 413.474 2.356 50 40 HEGB COc1ccc(Br)cc1/C=N/NC(=O)CC(=O)NCc1cccnc1 59461592 CYNPRZQOYZQFKB-SRZZPIQSSA-N 405.252 2.009 50 40 HEGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1sc2ccccc2c1Cl 3358836 XGPZOOPTJNDCSS-SECBINFHSA-N 400.913 2.106 50 40 HEGB Cn1ncc(Br)c1C(=O)N/N=C/c1cc(Br)ccc1O 5756554 BOFPBTSRSBQKGK-PJQLUOCWSA-N 402.046 2.415 50 40 HEGB CCOc1cccc(-c2c(C(=O)N/N=C/c3cccs3)nnn2-c2nonc2N)c1 9345331 NKHRPDQEZKXVJK-KEBDBYFISA-N 424.446 2.124 50 40 HEGB COc1ccc(CC(=O)NNC(=O)COc2cccc(Br)c2)c(OC)c1 12880426 KZTHOBGYTSNEOD-UHFFFAOYSA-N 423.263 2.235 50 40 HEGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccc1Cl 3384609 RYWDYTCOYCDIHJ-UHFFFAOYSA-N 409.895 2.445 50 40 HEGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c(C#N)c2C)cc1 409067018 ITZLCBBISAEIQR-CFRMEGHHSA-N 417.425 2.194 50 40 HEGB COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1OC 1633109 RWIZYFRKHLJFKW-MSOLQXFVSA-N 417.849 2.498 50 40 HEGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)c1ccccc1 4523574 JXGUVCGNSCOHAW-HIQXPHMNSA-N 422.485 2.015 50 40 HEGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 6428441 ODRQSLAPQVCECC-ZVHZXABRSA-N 410.474 2.379 50 40 HEGB Cc1c(Cl)cccc1N1C(=O)C[C@H](NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 102922088 VJPJTHLAPYGJIB-AWEZNQCLSA-N 402.794 2.123 50 40 HEGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cnccn1 1296278 XVOMOMJSCIOFGL-YAXRCOADSA-N 400.030 2.471 50 40 HEGB COCCCNC(=O)/C(C#N)=C/c1c(N2CCC(C)CC2)nc2c(C)cccn2c1=O 2207630 XQYOCZFIUNRFHD-NBVRZTHBSA-N 423.517 2.299 50 40 HEGB Cc1ccc(C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 3359692 FRLZMXYAIGRNSY-UHFFFAOYSA-N 401.488 2.244 50 40 HEGB CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 16157896 WDNYQIXDNLIWAS-UHFFFAOYSA-N 423.429 2.095 50 40 HEGB Cc1cccc(-n2ncc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)c2C)c1 29463087 QCGNLKGBQNMIGH-UHFFFAOYSA-N 402.458 2.380 50 40 HEGB CCn1nc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2c1=O 89300039 MNDBHIAQJWUJDR-UHFFFAOYSA-N 415.793 2.053 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1C 408775397 HAAHSSDQGOEXIC-YBFXNURJSA-N 404.448 2.128 50 40 HEGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 5704332 AMBFRQLMQMYHQX-QWRGUYRKSA-N 403.435 2.487 50 40 HEGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 6430265 INLVIHUPUQTCEX-ZMOGYAJESA-N 410.474 2.297 50 40 HEGB CC(=O)NNC(=O)CN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 40059781 PHCGGCSRSLVVIN-UHFFFAOYSA-N 406.939 2.353 50 40 HEGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(OCc2nccn2C)cc1 40119756 ZQNRZALDWQPTJO-AWEZNQCLSA-N 412.421 2.367 50 40 HEGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OC 408728629 QGIWQZRUVLEWHU-VCHYOVAHSA-N 401.257 2.460 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(C)(=O)=O 408767834 PMZQMDPQDJQCAC-FYJGNVAPSA-N 419.503 2.183 50 40 HEGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408923228 URYMJUOTSLOKLO-QQHUYRGFSA-N 416.503 2.340 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409165325 WLLLMJFXEALZFW-AUEPDCJTSA-N 420.828 2.083 50 40 HEGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3CCC3)c2)cc1 12605808 WOTCNKSRAWBNCB-UHFFFAOYSA-N 403.460 2.057 50 40 HEGB O=C(NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 12855771 HJEPACUAEHDZLE-WBVHZDCISA-N 404.513 2.102 50 40 HEGB COc1ccc(OC)c(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 19682571 OMIGRZYPLIRNFX-BUVRLJJBSA-N 410.518 2.280 50 40 HEGB O=C(COC(=O)C1(c2ccccc2)CC1)NNC(=O)c1ccc(Br)cc1 23641904 NARYQNQTXNENCM-UHFFFAOYSA-N 417.259 2.485 50 40 HEGB COc1ccc(/C=N\NC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 33859720 JZAFGGPPDNVBFQ-MXYCIJPUSA-N 416.350 2.187 50 40 HEGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)cc(I)c1O 408803049 KRYRTNONWBEDCI-IZZDOVSWSA-N 416.215 2.065 50 40 HEGB COc1ccccc1/C=N/NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 408985761 ASUUVIRXURWUOE-QZUPYORJSA-N 421.457 2.406 50 40 HEGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 409001549 JAVAKHBYUCJUJP-ZVBGSRNCSA-N 418.247 2.253 50 40 HEGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334412 JIJNVQFDVHDHCD-SDQBBNPISA-N 411.252 2.395 50 40 HEGB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)c1 104690167 AHIPHCVZSXQBMS-LUWLEIDESA-N 421.519 2.070 50 40 HEGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccc(N(C)C)cc2)cc1Cl 4677932 KSTOBILHLLYOIU-UHFFFAOYSA-N 418.881 2.131 50 40 HEGB O=C(N[C@@H]1COB(c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 195755500 ATTCHQYZEYDIHQ-CABCVRRESA-N 409.034 2.367 50 40 HEGB CN(C)c1ccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc1[N+](=O)[O-] 408973232 KQJTWDQURKTLQZ-QQZPLFJDSA-N 409.446 2.127 50 40 HEGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 408973883 CFLMQSRGCQSIHT-CNHKJKLMSA-N 422.191 2.484 50 40 HEGB COc1cc(C(=O)N/N=C\c2ccc(OC)c(OC)c2C(=O)O)cc(OC)c1OC 32077963 GEFRJYXFZNITAM-FBHDLOMBSA-N 418.402 2.192 50 40 HEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)cc1 32999581 CURDANFIZNLPSW-CABCVRRESA-N 414.462 2.210 50 40 HEGB COc1cccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)c1 408884017 SEEGLIBGLLYIPC-XDHOZWIPSA-N 407.517 2.333 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408993215 VTFQTLJENPSEFN-GZQNEBGJSA-N 421.457 2.406 50 40 HEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 409127157 IPKZQWVXHLHSRU-LPYMAVHISA-N 420.466 2.091 50 40 HEGB CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21 2357637 CPICVJGACVCASP-QHCPKHFHSA-N 411.421 2.446 50 40 HEGB CC(=O)N[C@H](C(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(C)C 17441066 KWKDKXXKEFJMCB-FQEVSTJZSA-N 405.458 2.219 50 40 HEGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCCN3CCOCC3)o2)cc1 20790607 NYNXBXLKQHJMQM-XDJHFCHBSA-N 423.469 2.479 50 40 HEGB CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)c1 28337533 PRQSNUNMIXCHIK-UHFFFAOYSA-N 409.336 2.356 50 40 HEGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCC(=O)O 34854612 SKDJRQBSOKTZMU-UKWGHVSLSA-N 421.793 2.413 50 40 HEGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408910810 LHMPQUIFPFYEOF-RVZJCZPVSA-N 400.391 2.108 50 40 HEGB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1cccnc1 2364957 CZZXLHYVKWVYKZ-LCYFTJDESA-N 418.525 2.196 50 40 HEGB C#CCOc1ccc(/C=N/NC(=O)CNC(=O)CCCc2ccc(OC)cc2)cc1 4664475 HFUFOVVKWOOACB-PCLIKHOPSA-N 407.470 2.296 50 40 HEGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cccc2ncccc12 8990390 PKCUKJJAXFYYSX-CYVLTUHYSA-N 417.469 2.072 50 40 HEGB O=C1OC(=O)[C@@H]2C3C(c4ccccc4)=C(c4ccccc4)C([C@H]12)[C@H]1C(=O)OC(=O)[C@H]31 77904512 ADQKECWZKSJLHN-QLQTZTHHSA-N 400.386 2.489 50 40 HEGB COc1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1O[C@@H](C)C(=O)O 409241174 RVCMZGMSDBUQSW-GMDDEGIZSA-N 402.403 2.085 50 40 HEGB Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1 409262458 DYCLYFMTFJRHJU-FSJBWODESA-N 408.458 2.050 50 40 HEGB O=C(NN(C(=O)c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccncc1 2424583 CXOQJASOTUIIHO-LJQANCHMSA-N 414.421 2.201 50 40 HEGB CCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1 12137095 BQGBSPSLKIUOOH-UHFFFAOYSA-N 414.487 2.140 50 40 HEGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](C)SCc1ccccc1 40144453 WIHZNHIGFZDEAE-AWEZNQCLSA-N 420.560 2.371 50 40 HEGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Br 46642891 SVZUIWNOZKRURE-LBPRGKRZSA-N 402.248 2.263 50 40 HEGB Cc1ccc(C)n1-c1sccc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 12760762 ITDMJPADLDIMGL-UHFFFAOYSA-N 421.482 2.477 50 40 HEGB Cc1cc(C)n2ncc(C(=O)NNC(=O)CSc3cccc4cccnc34)c2n1 32795747 HTZQNIYCVDCVQI-UHFFFAOYSA-N 406.471 2.448 50 40 HEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 107769497 KBAGGSLYVHVUBC-FYJGNVAPSA-N 411.418 2.154 50 40 HEGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1Cl 408784150 SSEDMZADJCBAEQ-VXLYETTFSA-N 424.866 2.473 50 40 HEGB CCOc1ccc(OCC)c(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c1 629507 QYMRJYDSPZJMCM-UHFFFAOYSA-N 418.475 2.063 50 40 HEGB C/C(=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(/C)c1ccncc1)c1ccncc1 5641163 QCONEEDYXGVAEP-JBHTYQCFSA-N 412.519 2.367 50 40 HEGB C=CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246576 RWTHNYSQWNVWJY-GRSHGNNSSA-N 416.703 2.450 50 40 HEGB O=C(NNc1nc(N2CCCC2)nc(N2CCOCC2)n1)Nc1ccc(Cl)cc1 408727000 WTEIKUFZMBZNQI-UHFFFAOYSA-N 418.889 2.110 50 40 HEGB COc1ccc(OCC(=O)N/N=C\c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409235659 PNNJLIWMKMVLAH-PJICWNCHSA-N 402.403 2.085 50 40 HEGB O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 2690706 RRUSKVKQVNRAGC-UHFFFAOYSA-N 423.248 2.307 50 40 HEGB N#CCCCN1C(=O)/C(=N/NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 4680183 NHCULDFOHKAPGQ-FCDQGJHFSA-N 407.386 2.144 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 5959786 RFFXBRITPWTSHZ-ZMOGYAJESA-N 408.458 2.073 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)NCc1ccco1 58880754 XNEANBLVNFLPQW-ZMOGYAJESA-N 420.425 2.064 50 40 HEGB COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)N1CCOCC1 136955866 SAICTZXBTXZSMA-HMAPJEAMSA-N 412.446 2.088 50 40 HEGB Cc1cccc(-n2nc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)c(C)c(C#N)c2=O)c1 409063930 ARGXTFMQYLZYBY-FMCGGJTJSA-N 416.397 2.393 50 40 HEGB O=C(CCSCCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O 4748344 OYPNNXRUCQHQII-VOKWCDJLSA-N 414.487 2.212 50 40 HEGB [N-]=[N+]=Nc1ccc(C(=O)NCCCCNC(=O)CI)c(O)c1 15020117 NXLBAOLUZNMYKG-UHFFFAOYSA-N 417.207 2.395 50 40 HEGB in-vitro O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc2c(=O)n3c(nc2c1)CCCCC3 15939393 CWMJYDGUOXOSSK-UHFFFAOYSA-N 416.441 2.074 50 40 HEGB CCc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cc1 33451404 OSOAIUKIHIDBIY-BKUYFWCQSA-N 419.503 2.037 50 40 HEGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3cc(OC)ccc3OC)cnc2s1 4482924 AVUVJXPFGLKLMU-NKVSQWTQSA-N 400.460 2.188 50 40 HEGB COc1ccc(Cl)cc1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 101307598 DCAFKAZFXFQRQD-MOBXIHKVSA-N 409.316 2.189 50 40 HEGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=c1/c(=O)c2cccc3cccc1c32 6369370 LBKZEMYRBVCIOX-SOYKGTTHSA-N 412.493 2.373 50 40 HEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 409264719 RLYKMXMQWJVVCL-DXRSZSRVSA-N 410.474 2.377 50 40 HEGB COc1cc(C(=O)NCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc(OC)c1OC 1836208 ZLLSOADPCQSAIY-BHGWPJFGSA-N 424.457 2.382 50 40 HEGB CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(C)=O)n12)CC[C@H](C)C3 4848069 UAHVNAGQALUSEA-VIFPVBQESA-N 418.548 2.286 50 40 HEGB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6173726 XULCIURMBRVGPG-UHFFFAOYSA-N 421.501 2.170 50 40 HEGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(C)c1 6607015 JCJUGNIADBEPHF-RGVLZGJSSA-N 418.475 2.291 50 40 HEGB Cc1ccccc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccccc1C)C=2C#N 13739451 FZEHTKPOOVXXQD-TUJQNWBVSA-N 410.502 2.478 50 40 HEGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3O)s2)cc1 38167693 GLLYYXYVTBENDD-RGVLZGJSSA-N 411.443 2.197 50 40 HEGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccccc1F 59246450 UBSZJLZIAOZZNO-QRVIBDJDSA-N 401.438 2.196 50 40 HEGB C=CCOc1ccc(/C=N/NC(=O)CNC(=O)COc2ccccc2C)cc1OC 4679723 MCLFXVXWYLQKON-ZMOGYAJESA-N 411.458 2.214 50 40 HEGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 6942722 XOYQSMDAAZRVKL-LPYMAVHISA-N 400.446 2.293 50 40 HEGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCC(C)C 8088415 MHIIZYKFJNVFTQ-AFUMVMLFSA-N 424.501 2.489 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl 6295758 ZKEIOWVQLYRLSK-FSJBWODESA-N 414.849 2.110 50 40 HEGB O=C(NNC(=O)c1cccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6558469 YMRDVYRPDTTYGW-UHFFFAOYSA-N 413.908 2.261 50 40 HEGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 7928470 MKIBJIRFKLVDDW-ZDUSSCGKSA-N 416.821 2.371 50 40 HEGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(C(=O)OC)c2)cc1 12772968 MCDBGNILFOBDGL-ZDUSSCGKSA-N 401.419 2.492 50 40 HEGB CN(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 16187132 DJVOKAPAACBJKL-WOJGMQOQSA-N 410.293 2.220 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccccc1F 408740366 FVQOSRGXUKBISP-FCQRQVBFSA-N 418.837 2.259 50 40 HEGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC(F)F 13070398 PWDREEXUALBDMT-XYOKQWHBSA-N 423.397 2.490 50 40 HEGB O=C(N/N=C/c1ccccc1O)c1cc(O)cc(C(=O)N/N=C/c2ccccc2O)c1 16449049 ACGXIUZNNAQLAD-MPDMMBQKSA-N 418.409 2.331 50 40 HEGB O=C(N/N=C/c1ccc(Br)cc1)[C@@H](c1ccncc1)N1CCOCC1 20029557 JYTUJZQKOVTWIY-VYVDHXHBSA-N 403.280 2.368 50 40 HEGB CN(C)CN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2cc(Br)ccc21 20215564 YFLSWMQDMUWBTM-PYCFMQQDSA-N 415.291 2.378 50 40 HEGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 24799053 NUANQRRTCNSLMR-YWZLYKJASA-N 405.520 2.099 50 40 HEGB CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 33743558 PVDIVPRFSMQYFL-HMAPJEAMSA-N 424.461 2.069 50 40 HEGB CCCc1c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N 2447217 TYCKMZIEIRDYPX-FBCYGCLPSA-N 409.237 2.256 50 40 HEGB C/C(=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(\C)c1ccncc1)c1ccncc1 4758943 QCONEEDYXGVAEP-WXFDVJJJSA-N 412.519 2.367 50 40 HEGB C/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9108997 ZNKLXOJTGYMQJU-FOWTUZBSSA-N 412.833 2.440 50 40 HEGB COc1cc(CC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc(OC)c1OC 14822366 NSKLOTWTBKRLQP-HNNXBMFYSA-N 416.474 2.487 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 409261766 DHSSEVKFDCITHU-OHHQFBAHSA-N 410.474 2.377 50 40 HEGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(OCC(=O)O)cc1 20086089 HTFKMMVRSYCDTG-SFHVURJKSA-N 403.394 2.220 50 40 HEGB C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 253505203 BATUORYJCLTZTR-CECFBYKPSA-N 422.610 2.354 50 40 HEGB N#C/C(=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NCc1ccccc1 20403617 WNRCMBRZHJVSHA-CAPFRKAQSA-N 404.470 2.257 50 40 HEGB O=C(CCc1ncc(-c2ccccc2F)o1)NCCCNS(=O)(=O)CCl 72310026 UUJYTHYNWSHYRG-UHFFFAOYSA-N 403.863 2.035 50 40 HEGB COc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccccc2)cc1OC 408783638 OAJOLBSOPJPIEM-UHFFFAOYSA-N 405.476 2.411 50 40 HEGB Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 12981393 KTWGYWDUFBQOJR-GFCCVEGCSA-N 404.268 2.352 50 40 HEGB COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)Cc1ccc(OC)c(OC)c1 13139752 PYZLACZGTPBCJO-BUVRLJJBSA-N 413.474 2.454 50 40 HEGB biogenic COc1ccc2c(c1)[C@@]1(C(=O)N2C)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 13629057 JNKDGVVYVDBJEK-JOCHJYFZSA-N 401.378 2.150 50 40 HEGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 18193283 MOVZFCDIOBQMOD-DGURAOSJSA-N 400.847 2.120 50 40 HEGB Cc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 100572008 QHNUVQDQZWQWEJ-HNNXBMFYSA-N 402.248 2.324 50 40 HEGB O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)Nc1ccc(Cl)c(Cl)c1 6590087 IKJQLOLQQMAEKC-UHFFFAOYSA-N 406.233 2.500 50 40 HEGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OC)c1OC 8110188 VOFIAIFVCNCGDG-BMYBCIMUSA-N 415.421 2.355 50 40 HEGB O=C(COC(=O)CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1 8413873 DZRQOYONCSUXSQ-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1 12629264 ONYVUAVUZARFHR-AFUMVMLFSA-N 424.457 2.480 50 40 HEGB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccc1O 17525853 CWZSWBLAVUDINH-OAHLLOKOSA-N 421.906 2.358 50 40 HEGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccccc2)cc1 20215172 MEZXQXDVRSMFCN-HZHRSRAPSA-N 424.482 2.436 50 40 HEGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(F)cc2)cc1Cl 33738074 REFQKUQBXPCFHH-JMIUGGIZSA-N 413.858 2.259 50 40 HEGB CC(C)c1ccc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 40143159 FCSZIDYZDQAYRY-UHFFFAOYSA-N 417.531 2.454 50 40 HEGB COc1cccc(/C=C(/C#N)C(=O)NC(N)=O)c1OCC(=O)Nc1ccc(C)cc1 409247118 BYILORAFUMYURT-GDNBJRDFSA-N 408.414 2.123 50 40 HEGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=S)Nc2ccc(F)cc2)c1 3209029 FWRRHHZZVMCGDE-UHFFFAOYSA-N 424.523 2.488 50 40 HEGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 5663529 UJKDDLCIUWQQGU-HOTGVXAUSA-N 402.794 2.389 50 40 HEGB C=CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 6544504 QRUJDTILDDZCLX-FYJGNVAPSA-N 405.451 2.161 50 40 HEGB CCCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc(CC)cc3c2=O)c2ccccc21 958384 KPCGKLCHGMMLOR-MOHJPFBDSA-N 423.498 2.298 50 40 HEGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)[C@H]1COc2ccccc2O1 2334493 DKHGABQXORNFBN-LLVIWDJBSA-N 422.191 2.353 50 40 HEGB O=C(N/N=C/c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(Br)c1 3043686 PXOWRKCRMFSROQ-VXLYETTFSA-N 404.220 2.309 50 40 HEGB CC(C)NC(=S)NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 15876569 OMCHSANHZWACDG-GJZGRUSLSA-N 406.552 2.372 50 40 HEGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2C)cc1 58912167 RQTXDXNNYNGFLM-AFEQLLIESA-N 412.490 2.238 50 40 HEGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccccc1C 4713822 YUIFQJMBIANTHJ-AFUMVMLFSA-N 409.446 2.413 50 40 HEGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 6375717 SGKZFERYPMVUPU-WYMPLXKRSA-N 414.437 2.066 50 40 HEGB CC(=O)NNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C(C)(C)C)C3 35316163 WQLJTEPPGKWLFB-JTQLQIEISA-N 408.549 2.395 50 40 HEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC 409270308 PBMOJXMCYSRPEK-GIJQJNRQSA-N 404.335 2.293 50 40 HEGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 2381012 AFHQGDKTNRIJDR-RGVLZGJSSA-N 414.399 2.266 50 40 HEGB CC(=O)N[C@@H](C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)C 12784892 GVAIWCWOFFNEHV-HXUWFJFHSA-N 419.485 2.461 50 40 HEGB O=C(COC(=O)CCCC(=O)NC1CCCCC1)NNC(=O)c1ccc(Cl)cc1 7939866 NROZJGHZTWKLFG-UHFFFAOYSA-N 423.897 2.263 50 40 HEGB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)OC(=O)c1ccccc1 103618973 LNFOREHFGKJBHN-MSOLQXFVSA-N 410.426 2.240 50 40 HEGB CCOC(=O)[C@H]1C(=O)NC(SCC(=O)OC)=C(C#N)[C@H]1c1ccccc1Cl 2376844 BUNUZMSJCOITEI-HUUCEWRRSA-N 408.863 2.374 50 40 HEGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccccc1 3115580 LAKNWNKUQIRJJM-ZMOGYAJESA-N 421.409 2.388 50 40 HEGB O=C(NNC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncc1 32118665 GCEDKLNEAMXLPN-UHFFFAOYSA-N 411.399 2.199 50 40 HEGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)c1 409258555 VKAMYCHPBYSBMA-FSJBWODESA-N 408.458 2.050 50 40 HEGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 2639776 WIDBDKNGYFUPGY-UHFFFAOYSA-N 407.879 2.199 50 40 HEGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 6497020 ADCRXYAFDAHQNI-FOKLQQMPSA-N 416.865 2.252 50 40 HEGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(CC)cc1 8086166 ARCHGMJULAGBJZ-ZVHZXABRSA-N 408.458 2.019 50 40 HEGB COc1ccc(/C=C(/C#N)C(=O)NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 12653250 GSLQWEJSVRTABJ-YNYDLSCCSA-N 418.453 2.119 50 40 HEGB biogenic COc1ccc(C(=O)NNC(=O)/C=C/c2ccco2)cc1I 955301 JPZWECZWESHNHN-FNORWQNLSA-N 412.183 2.367 50 40 HEGB COc1ccc(Br)cc1/C=N/NC(=O)c1nc2nc(C)cc(C)n2n1 1081698 NFXLXLPQTNYBMZ-QGMBQPNBSA-N 403.240 2.276 50 40 HEGB O=C(COC(=O)CCC(=O)Nc1ccc(Cl)cc1)NNC(=O)c1ccccc1 8414803 ABYFYXDUJDFRSB-UHFFFAOYSA-N 403.822 2.063 50 40 HEGB COc1ccc2oc(=O)c(C(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2c1 9057004 FHUBHHULWRTZMF-UHFFFAOYSA-N 400.303 2.375 50 40 HEGB CCOc1ccc(-c2c(C(=O)N/N=C/c3cccs3)nnn2-c2nonc2N)cc1 9331302 GJYVKSPARNKUAI-KEBDBYFISA-N 424.446 2.124 50 40 HEGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 58881454 AEVSIOZPHTXIPK-AUEPDCJTSA-N 423.347 2.346 50 40 HEGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(O)cc3)o2)cc1 4160853 VERKCGLIZSTIMW-UHFFFAOYSA-N 400.416 2.004 50 40 HEGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)c(OC)c2c1OCO2 15108114 NZVYNXNIZGEKGZ-AWEZNQCLSA-N 419.397 2.436 50 40 HEGB CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2064473 GWFUNFOJMAQOIA-UHFFFAOYSA-N 402.432 2.333 50 40 HEGB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)c1OC 5956636 DNRVDUVKNOJDLE-APTWFODQSA-N 401.419 2.092 50 40 HEGB CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c1 24748601 HZFXAAKLXFWZTA-UHFFFAOYSA-N 405.476 2.310 50 40 HEGB Cc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)no1 2320374 IFPRZDPGAPGJEI-NYDTYPKPSA-N 404.058 2.265 50 40 HEGB Cc1cc(C)c2c(N)c(C(=O)NNC(=O)C3CCN(C(=O)C(C)C)CC3)sc2n1 40051456 VAAYRSHXPUHENX-UHFFFAOYSA-N 417.535 2.151 50 40 HEGB CC(C)=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 59490187 XZZAJLUPFAOFKG-UHFFFAOYSA-N 421.450 2.304 50 40 HEGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 409137850 WVSPKVGZSIUCCM-FYJGNVAPSA-N 402.476 2.195 50 40 HEGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1)Nc1cccc(Cl)c1 409249453 INRZMTBMXAPHHV-SSDVNMTOSA-N 414.849 2.086 50 40 HEGB CCN1CCC(=NNC(=O)c2ccc(C(=O)NN=C3CCN(CC)CC3)cc2)CC1 655043 JZXMSBVMJSTNCH-UHFFFAOYSA-N 412.538 2.090 50 40 HEGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=S)Nc1ccc(SC(F)F)cc1 9728266 FBVHTPOLRYTSNQ-SNVBAGLBSA-N 423.536 2.109 50 40 HEGB CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)/C(C#N)=C(/C)N 104802010 ZAROZQHHFVKEAD-SZGZABIGSA-N 409.895 2.060 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 408768565 HDAQZBHDKIGMTQ-XDHOZWIPSA-N 404.448 2.074 50 40 HEGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c(C#N)c2C)c1O 409059571 QSEMWXZZHXQYEP-MSXFZWOLSA-N 417.425 2.199 50 40 HEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 409256612 PQXDAEOHLYGONN-XMTZNVEYSA-N 414.437 2.208 50 40 HEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 409272384 YLOMQCMPLRVMQG-BUVRLJJBSA-N 422.485 2.339 50 40 HEGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccco3)nnn2-c2nonc2N)cc1 9087800 MWDAJIIMBJNWMK-SRZZPIQSSA-N 422.405 2.045 50 40 HEGB Cc1c(Br)c(C(=O)NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)nn1C 26771327 UMLOQIIXEDLSHJ-IQJOONFLSA-N 402.362 2.425 50 40 HEGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] 59435829 XUPMAWSKEOTKTK-GIJQJNRQSA-N 421.207 2.455 50 40 HEGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408905903 ASEUOSMQPWRARP-NFECSFHCSA-N 404.448 2.290 50 40 HEGB COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=O)NNC(=O)CCl 2581899 QKFCHYYORDVTLW-UHFFFAOYSA-N 406.609 2.435 50 40 HEGB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 8433443 BSDRGEYWCAAMOR-UHFFFAOYSA-N 411.458 2.417 50 40 HEGB O=C(COc1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408882310 NJEDEJPMLSUZEH-ZVHZXABRSA-N 420.425 2.064 50 40 HEGB COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC 408926986 XCRNFKKHHLQBMU-ZXOFLVKFSA-N 405.476 2.009 50 40 HEGB O=C(CSc1nnnn1-c1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 2383048 CFRBPEAWSAFZIN-UHFFFAOYSA-N 403.855 2.261 50 40 HEGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(C)(=O)=O 5667764 DWYQRPITDUKEBA-HYARGMPZSA-N 414.487 2.068 50 40 HEGB C/C(NNC(=O)c1ccccc1Cl)=C1\C(=O)N=C(O)N(C2CCCCC2)C1=O 17017081 AZLJPIVLPNNGOX-PTNGSMBKSA-N 404.854 2.464 50 40 HEGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)c2ccccc2)cc1 95481843 NIRGRWYGKPXGHP-UHFFFAOYSA-N 421.434 2.289 50 40 HEGB NNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409004922 GENRIFMEGQHZKJ-UHFFFAOYSA-N 406.266 2.313 50 40 HEGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409172084 GZIVASQBSBPQGJ-LSFURLLWSA-N 423.256 2.207 50 40 HEGB