smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)c2ccco2)c1 1445318 FRDGATPJOQZXCG-FOKLQQMPSA-N 433.247 4.335 50 40 IIGB COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C1C#N 3248484 AEVJQOPAOIWYKX-HNNXBMFYSA-N 441.940 4.368 50 40 IIGB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNc4ccccc4[N+](=O)[O-])cc3)ccc12 8880693 ODIOTYFSBRQBOG-UHFFFAOYSA-N 445.431 4.346 50 40 IIGB O=C(N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21)c1cc(-c2ccco2)nc2ccccc12 9120107 BBBHKIOQVTZWSW-UHFFFAOYSA-N 427.376 4.139 50 40 IIGB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)CSCc1ccccc1 18193694 SHMRYOYQQAEJRY-UHFFFAOYSA-N 433.892 4.137 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccc2c(c1)OCO2 59232967 LACHEPFHQGJGLG-RGVLZGJSSA-N 430.435 4.357 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccccc3)CC2=O)cc1C 408609787 RZLMKASBTAIJRF-OAQYLSRUSA-N 429.520 4.379 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1 627413 BNWCNNKNGWVYRI-QGZVFWFLSA-N 425.282 4.231 50 40 IIGB COc1ccc2ccccc2c1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 15018655 RMFNCXRCTUTBCV-LQKURTRISA-N 435.483 4.467 50 40 IIGB C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)C(=O)Nc1cc(C)ccc1C 16290969 JPGXKRCNRVRSGW-VUTHCHCSSA-N 442.519 4.430 50 40 IIGB COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(OC)c(OC)c3)C3=C2CCCC3=O)cc1 705477 KENZJXHEHYVXKI-QHCPKHFHSA-N 431.492 4.017 50 40 IIGB O=C(Oc1ccccc1/C=N/NC(=O)c1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 1433586 LQAMSFBXYRXKPN-MFKUBSTISA-N 440.415 4.126 50 40 IIGB CC(=O)OCCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)OC2=O)c2ccccc21 59060522 WSDCRVULQXOBPE-UHFFFAOYSA-N 442.471 4.080 50 40 IIGB in-vitro C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 408907746 QMVNAXGKJLGFDI-YYADALCUSA-N 449.576 4.348 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)N1CCN(c2ccccc2)CC1 4081797 BXVPHSUZFRIYKT-XIEYBQDHSA-N 448.526 4.393 50 40 IIGB CC(=O)Oc1ccc2c(c1)C(=O)[C@H](Br)[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 4900298 FIDNPUKFOJNBJX-VBJATJOUSA-N 449.341 4.413 50 40 IIGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12137605 RQJDPOZYFSYBAP-QFIPXVFZSA-N 437.540 4.132 50 40 IIGB CCOc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccccc1 13616144 OMRRJZOBWJGBBP-UHFFFAOYSA-N 434.521 4.252 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 19952014 AMVZSDDTPCVRTJ-XQNSMLJCSA-N 435.977 4.382 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccc1Cl 58913013 FCIXNSNXDWWHFC-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB COc1ccc(C(C)=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 252430997 XOTJFOVGASJVBO-UHFFFAOYSA-N 438.311 4.270 50 40 IIGB Cc1cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c(C)n1NC(=O)c1ccccc1 409214768 YRCMWSHEIWCNGN-ONUIUJJFSA-N 425.492 4.043 50 40 IIGB COc1ccc([C@H]2CC(=O)N3CN([C@H](C)c4ccccc4)CSC3=C2C#N)cc1OC 36123513 CQFCJCBEYIFKDC-VQIMIIECSA-N 435.549 4.480 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OC 59272388 IKYLCAPJNSDOKX-NTUHNPAUSA-N 446.257 4.310 50 40 IIGB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c(C)c1 408606826 QTLOOSPUABEALV-FQEVSTJZSA-N 431.521 4.027 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408904066 DDVVYCPKZDXGHS-FSJBWODESA-N 447.407 4.421 50 40 IIGB CCN(CC)c1cc(OC)c(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1Br 409199523 OIVYSTIEVSDVRQ-ZZQPOVDQSA-N 443.345 4.061 50 40 IIGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(-c2ccccn2)nc2ccccc12 3202385 YYDJTIDRQZSCIU-BRJLIKDPSA-N 447.838 4.328 50 40 IIGB Cn1nc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c2ccccc2c1=O 12791546 CIOUSGISGDYKBG-QGZVFWFLSA-N 427.835 4.405 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1F 13921512 IDXBERYAXJSOHI-DHRITJCHSA-N 425.847 4.147 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)C(C)(C)C)cc1 16322722 YEZNGKQJJDOTAI-WSDLNYQXSA-N 433.302 4.173 50 40 IIGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 20859490 RUUDKLSFUWQVLY-LICLKQGHSA-N 429.314 4.470 50 40 IIGB O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc(Cl)cc1Cl 408904915 QILQNXXRYPJVRA-CNHKJKLMSA-N 435.048 4.068 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 13371222 PORFUCOQURFPBB-ZVHZXABRSA-N 437.839 4.160 50 40 IIGB CC1(C)C(=O)O[C@@H]([C@H](Br)[C@H](Br)c2ccccc2)C(C)(C)C1=O 97957087 FSEOTGDTOQKUGQ-UPJWGTAASA-N 432.152 4.433 50 40 IIGB O=C(O)c1ccc([N+](=O)[O-])c2c1NC[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 245231535 FGRUSOUYEDNLRK-LJNRYRTLSA-N 449.872 4.499 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1O 408970045 ZEJDBJWQQAMCQC-UFFVCSGVSA-N 433.258 4.072 50 40 IIGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1Br 409309886 NPLRHCZUCRMTBL-UCQKPKSFSA-N 445.313 4.022 50 40 IIGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCC(=O)O 33772478 XPCCOZYQBZHLQP-CHHVJCJISA-N 446.253 4.074 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br 408794787 JFRPIAMAENRQEL-MHWRWJLKSA-N 443.297 4.245 50 40 IIGB COc1cc(/C=N/NC(N)=O)c(Br)cc1OCc1cccc2ccccc12 409079110 JWHBCEQQKUKJSA-FOKLQQMPSA-N 428.286 4.192 50 40 IIGB CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccccc1 409135406 VEOJAQDLZNDQGD-UHFFFAOYSA-N 430.460 4.099 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)[C@H](O)c1ccccc1 409356653 GVWNKOGSANGKSM-JHXRPTDYSA-N 439.309 4.212 50 40 IIGB COc1ccc(OC)c([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCl)c1 9137931 KKNDARGSUZUPSQ-KRWDZBQOSA-N 437.721 4.383 50 40 IIGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 57538041 LFBLVQOHCZTNEG-LDADJPATSA-N 429.314 4.088 50 40 IIGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c1C 408961632 UFWISPGNOMLZQJ-QFEZKATASA-N 434.496 4.402 50 40 IIGB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1 409113581 HNJAUJOIJWHBSF-UCQKPKSFSA-N 434.477 4.468 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1O 409236629 SKAWRGFXNSIJIQ-BOPFTXTBSA-N 429.314 4.209 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409366874 ZUGYPIBQEHRYET-LGJNPRDNSA-N 430.382 4.429 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)c2C)c1 409378708 QPJWYHSNDNCCPA-XKZIYDEJSA-N 430.508 4.366 50 40 IIGB N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)NC1CCCCCC1 883689 SAGGLRBRUYILLB-XMHGGMMESA-N 444.535 4.297 50 40 IIGB CCOc1ccc(OCc2ccc(C(=O)NNC(=S)Nc3ccc(F)cc3)cc2)cc1 3310234 FPQQYHRZSBZTGD-UHFFFAOYSA-N 439.512 4.435 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)c1 9202996 WNRAOWXYDQKOOM-YDZHTSKRSA-N 441.281 4.189 50 40 IIGB O=C(Cc1ccccc1)N/N=C(\CC(=O)C(F)(F)F)c1ccc(Br)cc1 17179734 SXSIAYQCJVFFRO-HZHRSRAPSA-N 427.220 4.034 50 40 IIGB CC/C(=N/NC(=O)c1csc2ccccc12)c1ccc(OCCN2CCOCC2)cc1 19841394 ZEORQDGXUAQWAW-LVWGJNHUSA-N 437.565 4.156 50 40 IIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 58913487 MQDQONYSMYSJAX-DHRITJCHSA-N 438.915 4.153 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(O)c(OC)c3)cc2c1 409187515 RKRJFSYVHDSNQW-FBHDLOMBSA-N 433.258 4.072 50 40 IIGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2[N+](=O)[O-])cc1 716019 KYKYKVNTCCZTMB-QFIPXVFZSA-N 431.448 4.297 50 40 IIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1 3242681 LXKLJCCGRSWSJR-VGOFMYFVSA-N 435.705 4.472 50 40 IIGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 38650270 RXQBMWKTDSAJKX-QHCPKHFHSA-N 428.444 4.141 50 40 IIGB COC(=O)COc1cccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c1 408871936 ZUSQZJGNKJTIAK-VULFUBBASA-N 446.528 4.192 50 40 IIGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(C)[nH]c2ccccc12 409020063 YVPIDEQXVYTLBS-HEMYWOPUSA-N 448.567 4.153 50 40 IIGB COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C1C#N 9012475 OXOOEESHXUVZIC-SFHVURJKSA-N 435.549 4.331 50 40 IIGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20240368 LTUIYGKSCXRKTD-OVVQPSECSA-N 432.955 4.426 50 40 IIGB O=C(CNc1ccc(I)cc1)N/N=C/c1cccc2ccccc12 59514225 ULAHIJOXQMFNSQ-WSDLNYQXSA-N 429.261 4.007 50 40 IIGB COc1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(Br)cc2Cl)cc1 102673302 HTSOKMNQDCHGMW-UVTDQMKNSA-N 427.707 4.362 50 40 IIGB C/C(=N\NC(=O)c1ccc(I)cc1)c1ccc(Br)cc1 408711642 CPCKBMHFFRINKU-VCHYOVAHSA-N 443.082 4.208 50 40 IIGB COc1ccc(OC)c([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCl)c1 9137935 KKNDARGSUZUPSQ-QGZVFWFLSA-N 437.721 4.383 50 40 IIGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 33892378 PCWNWIYTJZIWFB-NTEUORMPSA-N 431.286 4.498 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OC 207155481 VFSNVIAUUSIRLE-SXGWCWSVSA-N 445.313 4.088 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 408875942 IBBMXVSOOPWJDW-GZTJUZNOSA-N 433.420 4.095 50 40 IIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(C)cc2)cc1 408914427 WRPYQMACRPKBTB-UHFFFAOYSA-N 443.569 4.025 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC(=O)OC 408985883 YPQLEQMAZFWMSH-MHWRWJLKSA-N 428.872 4.145 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409222222 WFEWXMLIUCCBMY-QFEZKATASA-N 437.427 4.014 50 40 IIGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1OC 1097723 QFHZDEZQCPPKFD-KRWDZBQOSA-N 442.397 4.331 50 40 IIGB CCn1c(SCC(=O)N/N=C/c2ccc(SC)cc2)nnc1-c1ccc(C)cc1 1293842 KSUWDGKDGOUDCA-LPYMAVHISA-N 425.583 4.238 50 40 IIGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/c2sccc2C)cc1 6146256 KTXZMCMUKGYRNP-HYARGMPZSA-N 443.550 4.020 50 40 IIGB CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(Cl)cc2)nc1 16500803 BIWQDXOQTBAKLW-UHFFFAOYSA-N 445.932 4.099 50 40 IIGB O=C(Cc1ccccc1)N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21 40138859 LQBQBGQIKPLQQP-IKPAITLHSA-N 449.510 4.328 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58911718 RUKSZVCEZOMTNR-LGJNPRDNSA-N 443.334 4.167 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccccc2)cc1 59401569 MZBFUCSCGPBJPC-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccc(F)cc1 106953462 LLBVPCXREQELLV-CCVNUDIWSA-N 440.478 4.497 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C(=O)O)o1 107907160 ABBSSPRNXUPQQV-BOPFTXTBSA-N 432.432 4.420 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408767588 MWNUQZUGBWIVQB-XQNSMLJCSA-N 435.977 4.382 50 40 IIGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(Br)c1OC 409127845 KBQVKNSIOSQBQY-SRRANQMSSA-N 437.359 4.406 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C 409193640 KQNVLHRDNLEHAW-FSJBWODESA-N 426.860 4.428 50 40 IIGB Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2)c1 409259401 YXOZGKIYDAUUBD-CPNJWEJPSA-N 427.460 4.264 50 40 IIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)c(C)c2nc1Cl 786951 AIHRLEMJQNZEBD-INIZCTEOSA-N 432.307 4.369 50 40 IIGB C[C@H](S[C@@H](C)C(=O)N/N=C/C=C/c1ccccc1)C(=O)N/N=C\C=C/c1ccccc1 8614769 YTYIKAKITSYVIU-WAGDRQLYSA-N 434.565 4.127 50 40 IIGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1 8685646 KWXZJRSXXUCCQL-FYJGNVAPSA-N 433.942 4.356 50 40 IIGB Cc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 28665587 JUQMIEABKMANJJ-UHFFFAOYSA-N 447.520 4.049 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc(C(=O)O)c1 108015698 GCIZLMKKNPWUCI-ODLFYWEKSA-N 444.443 4.224 50 40 IIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1 408591928 WNLRRBDVNPCYOH-ZVHZXABRSA-N 429.436 4.042 50 40 IIGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408789922 SPUHLAYQCGPKEG-MHWRWJLKSA-N 443.297 4.245 50 40 IIGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1 408859303 SFXRAKJJUPFUCL-LPYMAVHISA-N 447.969 4.056 50 40 IIGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)cc1OC 409185748 PKAJKAIANALVDP-WPWMEQJKSA-N 431.492 4.039 50 40 IIGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409247698 AQJYPOQLDNLRJX-PDGQHHTCSA-N 442.431 4.158 50 40 IIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)o1 409391255 ILNWQVLNSNENHN-JFLMPSFJSA-N 427.460 4.449 50 40 IIGB CC1(C)Cc2c(sc3nc(NNC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c23)CO1 870826 NAMSIECSFGGGKB-UHFFFAOYSA-N 446.532 4.055 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 2431372 WJQHZCALEFOHGV-GOSISDBHSA-N 428.275 4.323 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2c(F)cccc2Cl)[C@@H]2CN(Cc3ccccc3)CC=C12 16034331 KKOWHDSONFZAPL-XXBNENTESA-N 443.913 4.405 50 40 IIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Br)cc2)o1 107995012 NWBBDAHSTSNNHD-CIAFOILYSA-N 428.242 4.310 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408753677 HEDDGFUHQIENNB-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1 408802308 YYBQOSSYINSBRI-HRYOXZJMSA-N 447.535 4.315 50 40 IIGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 409153162 HISDYWSBBRUKDX-GHRIWEEISA-N 432.911 4.463 50 40 IIGB O=C(N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cc(Br)ccc1O 409218674 XFNIHSDGIYGJPF-NGYBGAFCSA-N 433.045 4.134 50 40 IIGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1 409224339 KUJLZUZWLNZMRC-JNBLOYBISA-N 439.811 4.224 50 40 IIGB CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccco1 30838863 IKKXYBFNNLLIMW-QFEZKATASA-N 436.464 4.043 50 40 IIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1 408944291 UUIYTFJPIHFYEL-CVKSISIWSA-N 432.524 4.198 50 40 IIGB O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1 409035018 ITDJUGPZNOKEQW-DQKQXWASSA-N 446.890 4.433 50 40 IIGB CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409202066 OMWPHFCLOXQNPL-DHDCSXOGSA-N 431.242 4.363 50 40 IIGB Cn1ccnc1Sc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1[N+](=O)[O-] 705356 VKHHAILVLOWOQI-ZMOGYAJESA-N 447.476 4.102 50 40 IIGB CCOC(=O)c1csc(N(NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccccc2)n1 1415204 MNPAJCBHAZPCTJ-UHFFFAOYSA-N 444.900 4.357 50 40 IIGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 4181348 CVBSNUARWHXPOL-BUVRLJJBSA-N 426.517 4.268 50 40 IIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C 58913768 PSHHGZZSMBPHRL-CVKSISIWSA-N 432.524 4.198 50 40 IIGB COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)ccc1OCc1ccc([N+](=O)[O-])cc1 100175514 JRIBIGDXUCZFAR-KENSNKPHSA-N 437.496 4.459 50 40 IIGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 110459075 WGKISPZLYKRWHI-DHRITJCHSA-N 440.415 4.119 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1 408567416 NAJWSBHYKCSSAR-BUVRLJJBSA-N 427.342 4.451 50 40 IIGB COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1 1615592488 YBGKGFIPERLCPW-MFKUBSTISA-N 432.549 4.273 50 40 IIGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1OC 9693262 AWXKUZFHNVXQBU-MRXNPFEDSA-N 439.512 4.452 50 40 IIGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1 12590321 VFRMRJQHWLOJMM-QGOAFFKASA-N 443.415 4.368 50 40 IIGB Cc1c(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc(C#N)n1C 14093930 VRUOGUMYEKQAPT-WKULSOCRSA-N 447.498 4.283 50 40 IIGB CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1[N+](=O)[O-] 16678666 HLPYWNODUOEYGS-QFIPXVFZSA-N 444.495 4.153 50 40 IIGB COC(=O)CCc1cc(C(=O)c2ccccc2Cl)c(NC(=O)CBr)s1 34121000 JLVIHXWHESHBSS-UHFFFAOYSA-N 444.734 4.072 50 40 IIGB in-vitro CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 34720883 ORJQBFNWWSIDON-SSDVNMTOSA-N 426.816 4.231 50 40 IIGB Cc1ccsc1/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 36235441 KAWAPTKNFMZOBX-UPXQHGRYSA-N 432.549 4.044 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408590885 RCNHYNIOPOMNPV-FSJBWODESA-N 426.860 4.428 50 40 IIGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408641858 DEBWYBGVAKKGMS-RDTXWAMCSA-N 438.282 4.256 50 40 IIGB O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1cc2cc([N+](=O)[O-])ccc2o1 408966157 NABDMJWGTDUSGG-ZVBGSRNCSA-N 427.214 4.349 50 40 IIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1C 409006356 IVVILDOOZCQOCP-RWPZCVJISA-N 444.535 4.192 50 40 IIGB COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 2269197 UERVJSUTXPWFJG-LRULAXNGSA-N 445.475 4.068 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1ccccc1Cl 13424152 RDVIPTPYFCOJGH-CPNJWEJPSA-N 428.916 4.377 50 40 IIGB O=C(N/N=c1/oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 33738165 UECYOJKFWPLXRQ-SLEBQGDGSA-N 425.404 4.130 50 40 IIGB c1ccc(P(=Nc2nc3ccccc3n3nnnc23)(c2ccccc2)c2ccccc2)cc1 104746448 UHMFJKDAZYXNFP-UHFFFAOYSA-N 446.454 4.482 50 40 IIGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1)OCc1ccccc1 201578205 DUYXVDBFAXVSKN-BATDETSNSA-N 440.503 4.156 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1cccc2ccccc12 408807395 CGZFIRVJGKOKTG-PXLXIMEGSA-N 430.504 4.487 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC(=O)c1ccc(C)cc1 408898391 KWSHHEVSKLSBDY-CVKSISIWSA-N 432.476 4.304 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c(O)c1 409393640 YQGWKTKLLWXRAT-FSJBWODESA-N 442.313 4.335 50 40 IIGB O=C(NNC(=O)[C@H](CC1CCCCC1)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1 1393037 TWMIBIALAUCFRL-NRFANRHFSA-N 439.943 4.096 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1O 3224102 NGNSAKJHTQWPBK-JFLMPSFJSA-N 427.460 4.292 50 40 IIGB C=CCn1c(C)cc(C(=O)COC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)c1C 3304754 AYWSPJHJAZSYEJ-KGENOOAVSA-N 442.519 4.427 50 40 IIGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 15018654 TUNFOXFVIFTKAL-WPWMEQJKSA-N 426.520 4.151 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)cc2nc1N1CCCCC1 19096915 BSPLBWCLOICBPB-QFIPXVFZSA-N 432.524 4.178 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(OC)c2)c1 33958469 IVDRQUWIRVALDP-VULFUBBASA-N 438.455 4.194 50 40 IIGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 408803184 MDIDNUYOJILZEA-NBVRZTHBSA-N 445.450 4.397 50 40 IIGB CCOc1cc(Br)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1O 3038180 NPAZLSYNQZIPBP-FSJBWODESA-N 449.345 4.380 50 40 IIGB Cc1ccc(C(C)C)c(OCCOc2ccc(Br)cc2/C=N/NC(N)=O)c1 13896350 JBPBJYQCGIHQOG-FSJBWODESA-N 434.334 4.341 50 40 IIGB CCOc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccccc1Cl 33410037 PEWSVEPZDHWVKE-AUWJEWJLSA-N 435.705 4.472 50 40 IIGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2cc(Br)cs2)c1Cl 36289758 FVBXWUVXHCEAHP-LAZPYJJCSA-N 428.526 4.212 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(F)c1 59333086 PWNFRPCDAITOHS-JWGURIENSA-N 428.511 4.489 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(C)c1 59500466 PPFBOMLRVDQIMR-MYYYXRDXSA-N 447.447 4.285 50 40 IIGB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 102644501 IEWLNNMMMZIYEQ-GFBDQPOWSA-N 442.309 4.297 50 40 IIGB CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OC 408981254 VOBKCRYSNMDQDA-XHOYQDIRSA-N 445.519 4.105 50 40 IIGB CC(=O)Nc1ccccc1Sc1ccc(/C=N\NC(=O)c2ccccc2)cc1[N+](=O)[O-] 409122485 ZOPCSWWKKQMIMC-UCQKPKSFSA-N 434.477 4.468 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)n1 409248354 QBXZFRRPPUVDOC-NKVSQWTQSA-N 445.888 4.157 50 40 IIGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1C#N 800545 ZFQOSQMUOWCYPY-DEOSSOPVSA-N 441.487 4.351 50 40 IIGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N3C2)c(OC)c1 2235886 MQIKPIJWPHQHAN-KRWDZBQOSA-N 425.485 4.062 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)cc1 34689090 BDUYRAWBBMUFIK-NDENLUEZSA-N 443.459 4.125 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC 408809739 IUAGFISJCLZAPS-DHDCSXOGSA-N 446.862 4.365 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)OC 409243791 UINFFWUBPYJNQL-PACYTGELSA-N 442.899 4.075 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)c1C 409385330 HQUDQPANTCLDIR-ODLFYWEKSA-N 433.468 4.107 50 40 IIGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 1446788 SNFRBVGMEYWYKZ-XNTDXEJSSA-N 427.291 4.337 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1OC 2295607 QZOGGFISVLPVCV-JVWAILMASA-N 427.504 4.400 50 40 IIGB O=C(NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 3117309 BDRJJLAHLINOEB-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3C)c2C)cc1[N+](=O)[O-] 9201640 JWJLSBOEEBZBLC-AFUMVMLFSA-N 448.479 4.251 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 10039254 YAOHAGPDPGNOEE-MFKUBSTISA-N 449.463 4.345 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 16268641 MLLBAEOKSVWGJX-MOSHPQCFSA-N 429.476 4.024 50 40 IIGB CCCCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3cccs3)n2)cc1OC 21966946 JWMOATZJLMUESM-UHFFFAOYSA-N 445.566 4.063 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1Cl)Nc1ccccc1F 33467755 RDLWXCRJWGNYRF-RPPGKUMJSA-N 443.837 4.400 50 40 IIGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc3c(c2)OCO3)cc1 33706543 SENAYFLMLGXHGE-ROTLSHHCSA-N 436.851 4.360 50 40 IIGB O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2)c1 408676097 FGGHTTXUJLBQTD-WPWMEQJKSA-N 443.503 4.328 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1 408865130 BAQDHYNNYXDOCH-OYKKKHCWSA-N 435.436 4.042 50 40 IIGB O=C(COc1cccc2cccnc12)N/N=C\c1ccccc1OCc1ccc(F)cc1 409023196 XVDVLOZBTZGOQY-MBTHVWNTSA-N 429.451 4.482 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1 409109489 FYNWVSCMRQFSOO-NCELDCMTSA-N 435.549 4.283 50 40 IIGB COc1ccccc1C(=O)Oc1cc2c3c(c1)C(=C(C#N)C#N)C(=O)N3C(C)(C)C=C2C 2350793 MQXOGDOVBIEKFL-UHFFFAOYSA-N 425.444 4.257 50 40 IIGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)c1C 2419203 HOENTSIUHSNNAQ-NBVRZTHBSA-N 428.492 4.069 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409267834 XWZNVJPRXGZJBS-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 3089067 RCGFYSAUWVUHPE-ZVHZXABRSA-N 449.488 4.198 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@H]2CN(CCc3ccccc3)CC=C12 8441924 IAJICNSMEBWUPO-BJKOFHAPSA-N 439.950 4.308 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9934471 SBRMEYQAURIHJD-LPYMAVHISA-N 436.380 4.068 50 40 IIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2ccc(Cl)cc2)cc1 59499254 DLOBYJPBDHCPEO-FSJBWODESA-N 425.828 4.297 50 40 IIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2C)cc1 408879318 DEUHPNRHXDOUOH-AFUMVMLFSA-N 438.915 4.235 50 40 IIGB Cc1c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc2n1Cc1ccccc1Cl 409048083 RCVUXIZJRJFFBK-AFUMVMLFSA-N 425.916 4.255 50 40 IIGB C=CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl 409142789 BHUJIXZOOYTZRA-NRFANRHFSA-N 441.959 4.287 50 40 IIGB CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 9204542 CVCOQWYYJLBQAL-SRZZPIQSSA-N 425.710 4.203 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C\c1cc2c(cc1Br)OCO2 33530779 FOGFLMWTTWRIOI-YVNNLAQVSA-N 427.254 4.104 50 40 IIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCC1 59435896 YPILCPRUAYIMBA-UHFFFAOYSA-N 447.988 4.010 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccccc1I 408588764 JOIMEEAUUMXXAC-RGVLZGJSSA-N 433.249 4.056 50 40 IIGB O=C(NNc1cccc(OCc2ccc(Cl)cc2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 408613248 ZWGKSQZHZZGTFH-GOSISDBHSA-N 435.911 4.415 50 40 IIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccccc1 408862540 FXWKBNTXEIJXKQ-HAVVHWLPSA-N 441.578 4.046 50 40 IIGB COc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 672555 KXCUFDOOHKXSLH-UHFFFAOYSA-N 439.718 4.401 50 40 IIGB CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OC)cc3OC)CC(=O)N2C1 6135435 FWFNFRMKGJIXRG-LJQANCHMSA-N 435.549 4.486 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1 27016783 VLRHZTYCDLXKTO-KGENOOAVSA-N 435.487 4.166 50 40 IIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 408736895 BYHWCPFFVYMHHK-AFUMVMLFSA-N 448.276 4.304 50 40 IIGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(O)cc1 408789014 HDTSBCADQNQVRU-BJMVGYQFSA-N 438.075 4.168 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408794297 IPXOUBFXQWVPKJ-RQZCQDPDSA-N 442.899 4.453 50 40 IIGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 409189962 ONOOETXLZBKSCB-WSDLNYQXSA-N 435.705 4.277 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 2246736 JJTAHFYKFYPPDW-QGZVFWFLSA-N 428.275 4.323 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1Cl)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 13567635 JBVLLJQJCBKPSC-RUZDIDTESA-N 444.922 4.387 50 40 IIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)CC(C)(C)C2 13567705 QBJGRXYZHNSNAE-HHHXNRCGSA-N 438.531 4.351 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)c1 16805860 IZQVOSUVZOIYMM-SAPNQHFASA-N 438.443 4.041 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2c(F)cccc2Cl)[C@@H]2CN(Cc3ccccc3)CC=C12 20813094 KKOWHDSONFZAPL-AUSIDOKSSA-N 443.913 4.405 50 40 IIGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(C)C)c2C)ccc1I 408770916 CLBXQGCWIXZXGC-LICLKQGHSA-N 447.320 4.439 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl 408934330 BZAFQUAGLCVPES-DHRITJCHSA-N 438.915 4.153 50 40 IIGB CCOc1cc2c(cc1/C=N/NC(=O)c1cc3cc(Br)ccc3o1)OCO2 409101114 VLUPNXJWOSLVKX-ZVBGSRNCSA-N 431.242 4.087 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2ccncc2)cc1 1474704 LTXLDRPFJUEGHQ-CVKSISIWSA-N 442.548 4.189 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3CC)=C2C#N)cc1 3321562 VAZFKBOAPDXWFW-LJQANCHMSA-N 435.549 4.358 50 40 IIGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 59473155 BZQKXCCLRNZKNP-MFKUBSTISA-N 434.517 4.295 50 40 IIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1 59473431 HJZFZJNFWXCYOV-ODCIPOBUSA-N 435.343 4.178 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 107788996 JHZWUNIELYDBHL-FOKLQQMPSA-N 425.828 4.021 50 40 IIGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1O 408691679 LHXQAWACTCURCE-AUWJEWJLSA-N 445.260 4.352 50 40 IIGB COc1cc2c(cc1OC)C1=C(C#N)CN(c3ccc(Br)cc3)CN1CC2 644342 SOPGJLIMGVEKBM-UHFFFAOYSA-N 426.314 4.037 50 40 IIGB CCn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(C(C)(C)C)cc1 1474052 OUTYNNWFSQAOTG-ZVHZXABRSA-N 437.569 4.211 50 40 IIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 9119959 HEIBYQYHUJYNJS-BQVPINLBSA-N 425.514 4.081 50 40 IIGB Cc1cccc(N2C(=O)N=C(O)/C(=C/NC(=O)Nc3ccc(SC#N)cc3)C2=O)c1C 16349981 UTKSPVNFOLJRJM-YBEGLDIGSA-N 435.465 4.005 50 40 IIGB CC/C(=N\NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 17094724 XUUYXFKSWBLCMS-NFDWGTCTSA-N 426.292 4.117 50 40 IIGB CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SC)N[C@]1(O)c1ccccc1 34714513 KHKYGIMJQVADDJ-JQVVWYNYSA-N 428.941 4.150 50 40 IIGB Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@H](C)Oc3ccc4ccccc4c3)ccc12 50124349 HXDPYNFQYNXLIF-HNNXBMFYSA-N 447.516 4.040 50 40 IIGB O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 58900666 ZUUZXGJQGGRFQN-YDZHTSKRSA-N 438.281 4.171 50 40 IIGB COc1cc(-c2noc(-c3ccccc3NC(=O)C(Cl)Cl)n2)cc(OC)c1OC 60017034 YGSJYTZQODHKRI-UHFFFAOYSA-N 438.267 4.172 50 40 IIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408972784 FLMTWEFNNDJVQS-VMBKIOOXSA-N 447.535 4.406 50 40 IIGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 409001688 QKRIXVJZYZNVMA-SSDVNMTOSA-N 427.800 4.059 50 40 IIGB COc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1 409376289 WSYYVWYHLOHQCJ-XMHGGMMESA-N 427.460 4.258 50 40 IIGB COc1ccc(CCNC(=O)/C(C#N)=C/C=C2/N(C)c3ccccc3C2(C)C)cc1OC 1425403 QFDIBXMDESCTQG-MTDFZZOTSA-N 431.536 4.124 50 40 IIGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1 6134810 JFQLBYGTTCCBEU-YGFNIOOWSA-N 440.931 4.265 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1 9323086 TZQMOCQTMGDBIA-MZJWZYIUSA-N 441.409 4.487 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCOCC2)cc1 59087052 BMLNCPJCCXLVRX-RCCKNPSSSA-N 446.576 4.216 50 40 IIGB COc1cccc(C(=O)N/N=C(/c2ccccc2F)c2c(C)nn(-c3ccccc3)c2O)c1 68686663 XNVJXWKOXOFVLN-VYIQYICTSA-N 444.466 4.216 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc2c(c1)OCO2 408747662 RFGUBPHOFFVFNH-NHDPSOOVSA-N 442.471 4.226 50 40 IIGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3ccc(Cl)cc3)ccc2OC)cc1 408895154 MGONQMWSJXBIIW-AFUMVMLFSA-N 438.867 4.340 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCC 408965149 GMVVTBOUDSIUIU-FOKLQQMPSA-N 434.265 4.021 50 40 IIGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccc(Cl)cc1 409377391 HDMQUACQMAOPLL-VULFUBBASA-N 429.948 4.300 50 40 IIGB Cc1cc2c(s1)N(CCl)C1=CC=C[C@@H](Cl)[C@@]1(Cl)N=C2N1CCN(C)CC1 1569985922 RFFXZIQZZCVTOQ-RDTXWAMCSA-N 431.820 4.063 50 40 IIGB O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccccc2Br)cc1 704918 CDWWQLZHYONMIZ-YDZHTSKRSA-N 438.281 4.171 50 40 IIGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1C#N 800546 ZFQOSQMUOWCYPY-XMMPIXPASA-N 441.487 4.351 50 40 IIGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 1022827 FCVJCOFECMVBIH-GOSISDBHSA-N 425.261 4.301 50 40 IIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccn(Cc2cccc(Br)c2)n1 1081940 YKWPQPPGZMTMNH-ZMOGYAJESA-N 449.308 4.317 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2200177 CZAMPJIQPAAMQM-HXUWFJFHSA-N 448.320 4.186 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(C)=O 13387991 XEEFUEXEOFVXSE-RIYZIHGNSA-N 429.816 4.118 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 17209554 UJYZSHHKWRAIRU-KRWDZBQOSA-N 437.843 4.255 50 40 IIGB COc1cc(/C=C/C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC 9283782 ADZWZMKKVBOTLV-ONEGZZNKSA-N 432.948 4.124 50 40 IIGB Cc1c(/C=N/NC(=O)COc2ccccc2F)c2ccccn2c1C(=O)c1ccc(F)cc1 20786889 XHEDOJNKUOUXRE-CCVNUDIWSA-N 447.441 4.286 50 40 IIGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c1C 96483297 XLPKGSLZEKDCSX-RGEXLXHISA-N 429.476 4.435 50 40 IIGB Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc4ccccc4o3)cc2)n1 100929661 YQKHIQCDVUFHNC-SSZFMOIBSA-N 446.492 4.012 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccc(C)cc1 100988864 SJXJEGPDRMFHBL-YQPBSLOJSA-N 425.941 4.129 50 40 IIGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OC 408566928 JGFQQXSIUZVRCY-WZUFQYTHSA-N 449.223 4.388 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccccc1Br 408590614 PXPZRDXDZVUDJP-IYHCKTHZSA-N 426.314 4.040 50 40 IIGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)c1 409053948 DYFWGQVWKLXWRA-XMHGGMMESA-N 427.460 4.264 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1I 409219996 XDFJFKQPLZGCGT-GDNBJRDFSA-N 430.201 4.276 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1OC(C)C 1453207 IXDRUDNOUZPNDC-XNTDXEJSSA-N 439.537 4.067 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1 2502481 XVLZQJSQVKBDHN-DEOSSOPVSA-N 428.444 4.221 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1 33600997 DDARPTAJETYVNL-FOKLQQMPSA-N 428.828 4.079 50 40 IIGB CCCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1C 408707768 LTJBNUFVALEPDA-ZVHZXABRSA-N 445.361 4.258 50 40 IIGB COc1cccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408783751 QNIFVZJSXNDDNK-IAWFGPOKSA-N 445.544 4.233 50 40 IIGB O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc2cc(Br)ccc2o1 408820712 YGSARALOVAQJSV-GXHLCREISA-N 438.621 4.226 50 40 IIGB Cc1ccc(CN2C(=O)/C(=N/NC(=O)COc3ccc(C)cc3)c3cc(Cl)ccc32)cc1 9948727 JOSGSLJXLPQMJJ-ZZIIXHQDSA-N 447.922 4.403 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 16758937 YTXNSMGIGDEGMD-XUMLYMLNSA-N 432.332 4.166 50 40 IIGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1 17098224 ZFVJACLJDHJMEZ-CHMLTUNVSA-N 432.911 4.395 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408778046 PIBQVLDAZOFZRE-LKUDQCMESA-N 435.549 4.039 50 40 IIGB COc1ccc(Br)cc1/C=N/NC(=O)CSCc1ccc(Cl)cc1 1021356 ZAMDQVQRCFOUKQ-AWQFTUOYSA-N 427.751 4.495 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 9282469 ORRMRWRKZWQCPP-QGZVFWFLSA-N 437.297 4.456 50 40 IIGB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C2=O)cc1 33925008 NJZNMYRLWUAEBU-RGEXLXHISA-N 439.899 4.193 50 40 IIGB CCCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(OCC)cc1 408707233 IDXFJHIRVRXKSZ-MFKUBSTISA-N 430.936 4.239 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccco2)cc1Br 408722736 MUAULSAGGGXYJA-GIJQJNRQSA-N 428.080 4.133 50 40 IIGB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2[C@@H](c2ccccc2OC)CN1C(=O)CCl 1083103479 HUDAMNFSLHYBAX-OSPHWJPCSA-N 440.927 4.168 50 40 IIGB C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C(/C)c1ccccc1 8399096 IDBPFURZJYSCTB-IFJOVRIVSA-N 434.569 4.097 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)[C@@H](O)c1ccccc1 14134663 SLRKHNIODVFUMR-GQBLCDNYSA-N 439.309 4.212 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccccc1[N+](=O)[O-] 59475423 OICKGSZVQYNQSO-LPYMAVHISA-N 436.380 4.068 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Br 408591857 VRQGQOIYVNDIGQ-FOKLQQMPSA-N 440.297 4.349 50 40 IIGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 408874373 AQAULPSYRYXHLT-VIZOYTHASA-N 432.261 4.462 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccccc1 408889328 CPGOOIOEDJHGHM-QGOAFFKASA-N 442.427 4.158 50 40 IIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC)cc1OCC 409325128 XHKLFMCCXFGMNM-XKZIYDEJSA-N 433.302 4.185 50 40 IIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccnc3)n2C2CCCCC2)cc1 1478226 YDJNRRONGGANDO-MFKUBSTISA-N 434.569 4.396 50 40 IIGB O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3226242 NMGHZDUOEPNBPB-MZJWZYIUSA-N 443.434 4.268 50 40 IIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1OC 3660234 MCONAJWAQHMYIA-QBLBRXERSA-N 430.460 4.087 50 40 IIGB biogenic CC(C)(C)C(=O)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12 8691473 UWCPMGXQZNUBJV-DNVJHFABSA-N 436.511 4.481 50 40 IIGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c2ccccc21 13567623 OCIGRYHVIVSNEN-AREMUKBSSA-N 442.494 4.041 50 40 IIGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccccn1 28350590 DEVYCVWXDYWSGZ-MXAYSNPKSA-N 435.940 4.375 50 40 IIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408529281 JABHLNMICFBASJ-SRZZPIQSSA-N 444.241 4.146 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 408763679 GKQPIACZVNHAEI-LDADJPATSA-N 443.415 4.368 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1cccc(I)c1 408780654 HEYQIRSSMVLQQL-SXGWCWSVSA-N 433.293 4.130 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1C#N 408791099 TZFXJCBCAWBBGV-UDWIEESQSA-N 425.444 4.397 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)OC 408798982 XUSVROAZMSKMSL-RIYZIHGNSA-N 449.290 4.490 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccccc1C 409019195 YIRLBCXPGJWCIN-JFLMPSFJSA-N 449.482 4.314 50 40 IIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 409111057 AVRJCVPXKXVHKP-DUYBAWCLSA-N 439.581 4.017 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccn1-c1ccc(N(C)C)cc1 1098441 WQUMHCRWGRYZNS-OEAKJJBVSA-N 441.329 4.078 50 40 IIGB CCOc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1 1435073 PUZQHKXFCOUFEG-YDZHTSKRSA-N 427.298 4.399 50 40 IIGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3cccs3)cs2)cc(C(=O)OC)c1 2202667 HAGIOOONWPGKAU-UVTDQMKNSA-N 425.491 4.421 50 40 IIGB CC1(C)[C@@]2(Br)C=C[C@@](C)(O)[C@@]13C[C@H](Br)[C@@](C)(Cl)C[C@@H]3O2 5431456 WNGMEQXERFPHIP-AMJSTUSJSA-N 428.592 4.365 50 40 IIGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc(C(=O)OC)c1 8744359 YIFSNLVNCPYUKW-ATVHPVEESA-N 449.488 4.368 50 40 IIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1)c1ccccc1 16248421 DBSGRHUPVCLKRL-BUVRLJJBSA-N 441.940 4.070 50 40 IIGB N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)C(=O)c1c[nH]c2cc(F)ccc12 40139926 FRMOIJASSLJQSY-LDADJPATSA-N 426.451 4.482 50 40 IIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59516292 JVNZGZVXJNKXDQ-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 103347909 UUPGMLSMMQJYPY-JFINCRAZSA-N 425.573 4.295 50 40 IIGB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl 408606950 RVRDJVNBDILZBM-QGZVFWFLSA-N 432.933 4.075 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409160762 ZHWZCOQFKZFPPO-QDCCHXAWSA-N 447.922 4.422 50 40 IIGB C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)C(C)(C)C 409023445 XOZLTLZPNBSUHU-WKRZDEFASA-N 431.558 4.172 50 40 IIGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)sc2c1CCCC2 409193540 GCPDONTXLFHZGS-SFQUDFHCSA-N 437.565 4.397 50 40 IIGB COc1ccc(-c2cc(N)c(C(=O)NNC(=O)CCCc3c[nH]c4ccccc34)s2)cc1 8719049 SVIQSVFOAVYDBK-UHFFFAOYSA-N 448.548 4.271 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1OC 12275353 LVSKWWWYXKDXDP-MHECFPHRSA-N 436.533 4.046 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OC 408886993 KRZFBTVHZBWZJM-WGOQTCKBSA-N 438.911 4.134 50 40 IIGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NN(c2ccccc2)c2ccccc2)C(C)C)cc1 409000034 DNAOILSRLZCNOR-QHCPKHFHSA-N 437.565 4.167 50 40 IIGB COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC(C)(C)C)cc2c1 925156 LDPTTZWVVFAPTF-SFHVURJKSA-N 427.888 4.320 50 40 IIGB O=C(NNC(=O)c1ccc(COc2ccc(Br)cc2)cc1)Oc1ccccc1 8959116 NFERIJCCSWZZFP-UHFFFAOYSA-N 441.281 4.462 50 40 IIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(F)c(Cl)c2)C2=C1C(=O)CCC2 13567765 CDDHPBALYNLQBK-XMMPIXPASA-N 448.885 4.199 50 40 IIGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccc(O)cc1 35351560 VEDNMRBZJWQOSA-GHRIWEEISA-N 431.423 4.094 50 40 IIGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 408609497 ROYNEMLZTXPERM-SFHVURJKSA-N 435.911 4.415 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)c1 408756271 PPQJPVOQJRUKAS-CPNJWEJPSA-N 448.500 4.317 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408819399 QQFRROKGVBMFQZ-STZFKDTASA-N 443.459 4.406 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] 408826428 DGUQVKIHCNTDLN-YDZHTSKRSA-N 434.408 4.154 50 40 IIGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1 409316143 XTXUTNAZNHROKA-QGZVFWFLSA-N 427.526 4.258 50 40 IIGB Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)cc1 872806 IYXRHEHXXNXCKI-FIWMFUAISA-N 429.520 4.231 50 40 IIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 1319607 QXXUTTPDQZKJBL-XIJPWPHISA-N 435.318 4.206 50 40 IIGB Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)cc1Cl 13567725 IVJODBDTCPPYNL-RUZDIDTESA-N 444.922 4.084 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 408999564 UWXPBCGEPYRLBO-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1 409099287 KUXYCAGTIUXLTH-WGARJPEWSA-N 435.446 4.016 50 40 IIGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1O 948116 AYANXUCGDRIOCZ-AWNIVKPZSA-N 428.691 4.155 50 40 IIGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 1436406 SVCROHKXVTWDCA-FOKLQQMPSA-N 441.278 4.057 50 40 IIGB O=C(N/N=C/c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 9514113 WRKPXQCVAUYENB-XQNSMLJCSA-N 426.473 4.018 50 40 IIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(Cl)c4)CC(=O)N32)cc1OC 12276170 AKYRLLTVFLASGW-ZHRRBRCNSA-N 442.924 4.000 50 40 IIGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1 13045477 GSVYLVZNEYULPI-OAQYLSRUSA-N 440.565 4.447 50 40 IIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)CC(C)(C)C2 13567706 QBJGRXYZHNSNAE-MHZLTWQESA-N 438.531 4.351 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccccc1 19949322 MJSDJRAWDMRWGB-LKUDQCMESA-N 435.549 4.039 50 40 IIGB O=C(COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1)Nc1ccc(F)cc1 33416327 GDFCKEBQIFMBET-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB COc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(C)cc3[N+](=O)[O-])o2)cc1Cl 39383572 YXZBYWZMLKXKBY-KSEXSDGBSA-N 443.843 4.354 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1ccccc1Cl 59101861 VODZQFKZUSDZFG-DHRITJCHSA-N 425.847 4.147 50 40 IIGB CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21 408604009 IBHAQJJTNOCJKM-FQEVSTJZSA-N 431.521 4.109 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408848434 UWEVOGGWVQRRKD-FOKLQQMPSA-N 440.843 4.118 50 40 IIGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Br)o3)cc2)cc1 408848917 XFELQZBGNLKFFR-WSDLNYQXSA-N 426.270 4.367 50 40 IIGB CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 409004485 DDLUKIGFMVFDPB-AFUMVMLFSA-N 448.350 4.395 50 40 IIGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OC 409337306 XRJCUDUGJBXIFF-OYKKKHCWSA-N 432.904 4.475 50 40 IIGB O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1ccccc1Br 9288133 RLLRHANOUFQWQL-CNHKJKLMSA-N 432.499 4.335 50 40 IIGB O=P(OCCCl)(OCCCl)OP(=O)(OCCCl)OCCCl 100373516 KGUOHCQJKKPIOI-UHFFFAOYSA-N 427.969 4.241 50 40 IIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3OC)c3ccccc32)c1 408540780 BQIVGLOIPCJKTJ-JFLMPSFJSA-N 441.487 4.249 50 40 IIGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1O 408545384 YKSBTRQIEPDDSW-AUWJEWJLSA-N 435.217 4.158 50 40 IIGB O=C(N/N=C/c1cc(Br)ccc1Nc1ccccc1)C(=O)NC1CCCCC1 408707995 MYEVHEOAGYDZNS-OEAKJJBVSA-N 443.345 4.092 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 408767984 BAZWPYKQJUODBB-PXNMLYILSA-N 444.285 4.368 50 40 IIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409228279 WQTCPONGARDAQS-GZQZNAIASA-N 439.309 4.254 50 40 IIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1F 16248223 QVROHTDNHRPVQU-CVKSISIWSA-N 449.507 4.048 50 40 IIGB Cc1ccc(NNC(=O)NC[C@H]2CCC[C@H](CNC(=O)NNc3ccc(C)cc3)C2)cc1 16293227 PBUYEQGMRZCTAE-PMACEKPBSA-N 438.576 4.062 50 40 IIGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1 26896352 FHGSTIJWSTXSDO-CAPFRKAQSA-N 444.560 4.417 50 40 IIGB COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1 34877785 UALVIHHQWUWMMV-JXAWBTAJSA-N 439.471 4.480 50 40 IIGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(Cl)cc1Cl 96822606 GFNPWYKPGZUFBM-FXBPXSCXSA-N 433.045 4.134 50 40 IIGB N#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408961692 DJHDDNPNCBALNX-AUEPDCJTSA-N 426.192 4.134 50 40 IIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C3CCCCCC3)cc2)cc1 12562631 DLUYTSALRNGNAU-UHFFFAOYSA-N 429.542 4.326 50 40 IIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)c(C)c1 16700736 CVJLXJPGMPYHBH-CAPFRKAQSA-N 444.535 4.306 50 40 IIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408909895 FKLSCHBIKNEFSJ-AFUMVMLFSA-N 433.464 4.320 50 40 IIGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(N)=O)cc3[N+](=O)[O-])sc2c1 408991717 OYVNGHGXIYGVPH-KPKJPENVSA-N 426.479 4.147 50 40 IIGB COc1cc(Br)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409250633 RLBASHXIOGWRGM-BOPFTXTBSA-N 429.314 4.122 50 40 IIGB CCOc1ccc(OCc2ccc(C(=O)NNC(=S)NCc3cccs3)cc2)cc1 9987145 BXJDUPAJNRLVOH-UHFFFAOYSA-N 441.578 4.035 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 35386404 MQZMELKSWUDMLC-SSDVNMTOSA-N 429.816 4.289 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 223175457 WUWHMQQKIICMTB-ZHZULCJRSA-N 429.476 4.435 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2 408780121 SRAQNAQCYOXYLU-PXNMLYILSA-N 443.297 4.188 50 40 IIGB Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)c1 409359315 BJDIENNNEVMPHD-UKWGHVSLSA-N 440.135 4.227 50 40 IIGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2sc3cccc(Cl)c3c2Cl)[C@H](C(=O)O)C1 2801830 XKEWDAHNDGQHFJ-GHMZBOCLSA-N 441.336 4.416 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCC)c(OC)c2)C(C#N)=C(N)O3)cc1 9160836 YEVABPMDIGGWKA-FQEVSTJZSA-N 432.480 4.101 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1O 109759428 CNMQDSQPVOGLRF-FSJBWODESA-N 443.297 4.479 50 40 IIGB CCOc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 408779889 MZRMRXBLERMDFU-UHFFFAOYSA-N 443.569 4.025 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1Oc1nc(Cl)ncc1F 409008588 YHSPDLQBPXXGJE-NTEUORMPSA-N 430.867 4.426 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 409270503 QFVXQCABWXTMJZ-IYAOEYEUSA-N 447.922 4.422 50 40 IIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1OC 409318521 WDXVKMRVBIKSHG-YSMPRRRNSA-N 448.475 4.135 50 40 IIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 59385974 MSUQTESMJJVZBY-AFUMVMLFSA-N 448.276 4.304 50 40 IIGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101141224 HJFPFYMYQYNFRY-XNTDXEJSSA-N 431.275 4.228 50 40 IIGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 409269919 BCPIZAVRHVKEGI-XMHGGMMESA-N 427.460 4.264 50 40 IIGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/c1cccc2ccccc12 1784306 UFYNKNRPAKNLQQ-MZJWZYIUSA-N 438.512 4.429 50 40 IIGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 2350015 WAQMHGPVBSLWIV-MRXNPFEDSA-N 426.885 4.468 50 40 IIGB CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(I)cc1 10118590 NQLDZGKEXVGQEB-RGVLZGJSSA-N 442.684 4.497 50 40 IIGB O=C(N/N=C1/C(O)=Nc2ccc(Cl)cc21)c1nc(-c2ccccc2)n(-c2ccccc2)n1 20933965 RRQCSGRKVUDZAF-UHFFFAOYSA-N 442.866 4.323 50 40 IIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccccc3OC(F)F)cc2)cc1 23418698 VMVOEFXTXICAGZ-UHFFFAOYSA-N 432.448 4.186 50 40 IIGB CCOC(=O)[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)[P@@](=O)(OCCCl)c1ccccc1 100900792 ZOOORKWNVPIUOR-ZMNIOGMWSA-N 439.792 4.427 50 40 IIGB N#C/C(C(=O)CN1CCN(c2ccccc2)CC1)=C1/NC(c2ccc(Cl)cc2)=CS1 102949274 UKWRPVIKRXTKAQ-BSYVCWPDSA-N 436.968 4.101 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)o2)ccc1Cl 107779674 WESIXCVOOSGFDT-WYMPLXKRSA-N 442.855 4.168 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 108034302 MNAICJYVBXVMCX-ZDLGFXPLSA-N 430.420 4.246 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)cc1C 408603800 HGONGOKNBMYXCL-OAQYLSRUSA-N 446.532 4.089 50 40 IIGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 408813514 OEGHDPSMABPXLP-PXLXIMEGSA-N 430.504 4.487 50 40 IIGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Cl 408870717 WOAIHRDSWDYENH-RQZCQDPDSA-N 444.915 4.378 50 40 IIGB O=[P@](c1ccccc1)(c1ccc(Br)cc1)[C@H](O)C(Cl)(Cl)Cl 1713535 HTQBYXWXVYEJQC-YEJXKQKISA-N 428.477 4.452 50 40 IIGB CC[C@@H](Nc1ccc(I)cc1C)C(=O)N/N=C(\C)c1ccccc1 15931056 RXNJYUUTYYVGTR-FEMWLQECSA-N 435.309 4.331 50 40 IIGB C#CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 27489103 ALQBWTHGKJPETQ-ZSOIEALJSA-N 438.281 4.419 50 40 IIGB O=C(N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21)c1ccccc1 40138823 AOLXNYXOPNEXQU-FVDSYPCUSA-N 435.483 4.400 50 40 IIGB Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)c3ccccc3Cl)c3ccccc32)c1 46084811 SKZRLKPHNJBQNA-ROMGYVFFSA-N 433.895 4.208 50 40 IIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 59101697 CQKADAFTNPLTEW-MZJWZYIUSA-N 449.482 4.119 50 40 IIGB C=CCc1cc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)cc(OC)c1O 98055606 JWDWIYPLUBBWOF-RIYZIHGNSA-N 438.281 4.192 50 40 IIGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 104322592 XEJBGZLHDPHAQX-QINSGFPZSA-N 433.518 4.431 50 40 IIGB OCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169010354 JDMGPDGPRPVHMW-RXMQYKEDSA-N 432.064 4.421 50 40 IIGB CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2nccs2)cc1 408706685 CDGFQBUQRCNDLN-FSJBWODESA-N 443.916 4.028 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(OC)cc2)C3)ccc1O 408734228 IXILPYRKPILMCX-WGARJPEWSA-N 431.492 4.084 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccccc1C(=O)O 408898183 VLUJQVCIVBNRCD-QGOAFFKASA-N 443.415 4.418 50 40 IIGB COc1cccc(/C=N/NC(=O)c2ccncc2)c1OCCCOc1ccccc1Cl 8874980 GWCOUAAFMDAFAD-WGOQTCKBSA-N 439.899 4.355 50 40 IIGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1 9315852 JMULRTOSSLITEM-AZFHEMCLSA-N 437.503 4.090 50 40 IIGB CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c2ccccc21 13567624 OCIGRYHVIVSNEN-SANMLTNESA-N 442.494 4.041 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19948462 LALVLJIUEUYJKW-YYADALCUSA-N 449.576 4.348 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1 57606222 WVINHHXDGMJYBV-WGOQTCKBSA-N 434.492 4.445 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(O)cc1 408738241 SKRWLCQXAMYCKE-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1 408927205 ZXEAZFFWEBMGGS-OBGWFSINSA-N 434.473 4.009 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1C#N 409147692 NKRRRALOVXSSHU-DEOSSOPVSA-N 425.444 4.070 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccccc1 842994 OMRRJZOBWJGBBP-LGJNPRDNSA-N 434.521 4.252 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1214556 ORYFEWKXGZHWTQ-JVWAILMASA-N 431.492 4.175 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OC(=O)c1cccc(F)c1 2294098 OOONAIFMZIGKQD-BRJLIKDPSA-N 442.830 4.176 50 40 IIGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nnc(N2CCOCC2)n1-c1ccccc1 9090862 SMMFHMAFQXGUGS-FOWTUZBSSA-N 426.307 4.475 50 40 IIGB Cc1ccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)cc1[N+](=O)[O-] 59459321 MGBOXSKKYMOMQY-SSDVNMTOSA-N 446.301 4.074 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408824591 RFFSJZMFMXYTOL-HMAPJEAMSA-N 442.471 4.196 50 40 IIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 409004891 FYOVTUHOLMQHQT-TURZUDJPSA-N 441.531 4.268 50 40 IIGB N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 713922 RAYUZNHBIJCVOR-QGZVFWFLSA-N 427.327 4.210 50 40 IIGB CC[C@@H](Nc1ccc(I)cc1C)C(=O)N/N=C(/C)c1ccccc1 15931058 RXNJYUUTYYVGTR-VVRYKASASA-N 435.309 4.331 50 40 IIGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 1087782 MTXLHOVGCJYXCO-AOMKIAJQSA-N 426.451 4.424 50 40 IIGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1888559 WQSOSKBPEJNSBW-UEIJICEPSA-N 436.295 4.044 50 40 IIGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c(O)c1 9730860 FMGUHVWTHKQMCH-YDZHTSKRSA-N 427.298 4.399 50 40 IIGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)cc1 108098270 FWGVWNNFYFUNBG-QFEZKATASA-N 437.883 4.130 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1917590 KQKDPFZASUDQTH-NTEUORMPSA-N 431.275 4.430 50 40 IIGB CCC[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)C1CCC(CC)CC1 4704013 QISJTFQIKDAKLV-JMLCCBQJSA-N 425.367 4.360 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 9905834 KTCWCBYMGQUEJD-MFKUBSTISA-N 449.463 4.102 50 40 IIGB O=C(NN[C@@]12CCCC[C@@H]1C=NN2C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16400998 MYEXQIPOGWCJQW-IIBYNOLFSA-N 431.323 4.256 50 40 IIGB O=C(CSSCC(=O)NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 48314637 GXKKFVRZDHEDTB-UHFFFAOYSA-N 429.394 4.307 50 40 IIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1C 58927350 RHIUEGGXJBRSRR-OGLMXYFKSA-N 444.579 4.307 50 40 IIGB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NN(c2ccccc2)c2ccccc2)cc1 409002491 NUMFZQVDHPSGJZ-HSZRJFAPSA-N 435.549 4.018 50 40 IIGB Cc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409115973 KJBKMOFPCVKSGG-UHFFFAOYSA-N 433.961 4.198 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1O 409239855 RBDLIKJLHUYLRZ-BOPFTXTBSA-N 429.314 4.209 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 409332572 HGXZBWUJBBYSAN-LJQANCHMSA-N 435.549 4.331 50 40 IIGB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)NNC(=O)c4ccc(Cl)cc4)c23)C1 874287 ZAJAQSYDMVOMBR-LLVKDONJSA-N 446.985 4.023 50 40 IIGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)cc1 13806779 BOYYCKFKPHUCOF-OBGWFSINSA-N 428.492 4.015 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1 408812570 MCPBTLSMUIJSML-CXUHLZMHSA-N 428.872 4.468 50 40 IIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccc(Br)c1 408995907 BYAJUJJUYOUYHB-FYJGNVAPSA-N 431.290 4.112 50 40 IIGB O=C(N/N=C/c1c(F)cccc1Cl)/C(=C\c1cccs1)NC(=O)c1ccccc1 4150608 VZJTWWYIEMMEBH-ZOXVAVCCSA-N 427.888 4.462 50 40 IIGB N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)c1ccc(Br)cc1 408580298 NZVHNTZLCJRPCH-NTUHNPAUSA-N 436.103 4.140 50 40 IIGB O=C(N/N=C\c1cccc(O)c1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408728938 BCTKESXSQNRZDF-MSXFZWOLSA-N 436.309 4.439 50 40 IIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)c1 408809783 JBYLHTUQXIGUAT-XKZIYDEJSA-N 443.503 4.113 50 40 IIGB Cc1cccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)c1C 408922973 DEAWQODWTIRLJI-UHFFFAOYSA-N 427.570 4.325 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)N1CCCC1 409152393 AYNQHRXPAQBLFQ-KGENOOAVSA-N 447.535 4.249 50 40 IIGB CCOc1cc(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1O 409230038 WOBWBRMZZUVRMO-BOPFTXTBSA-N 429.314 4.209 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 658126 TVWWNMADDGIDHB-AFUMVMLFSA-N 437.427 4.476 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1Cl 881077 VXXJPZTVXBTMGY-DNTJNYDQSA-N 432.101 4.294 50 40 IIGB COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Cn2nc(C)cc2C)c1 8781349 WBAKFDHNEWGACJ-FSJBWODESA-N 441.329 4.083 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 11290024 CILYVLOIOKVWJP-QGOAFFKASA-N 430.416 4.367 50 40 IIGB COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC 17099392 JLJLKAZDFHGZEO-KPKJPENVSA-N 435.299 4.160 50 40 IIGB COc1cccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408783752 QNIFVZJSXNDDNK-OTUOEDBFSA-N 445.544 4.233 50 40 IIGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3cccc(Cl)c3)cc2)cc1 409216256 GPTPRKBYGNBKCY-WGARJPEWSA-N 449.894 4.208 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C)ccc3C)=C2C#N)cc1 409328212 ZZOXCMYLQKZPCU-IBGZPJMESA-N 435.549 4.413 50 40 IIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)/C=C/c1cccc2ccccc12 9659296 VMRDZPFUMZGSRO-FMIVXFBMSA-N 439.309 4.150 50 40 IIGB C/C(=N\NC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C)c1ccc(OC(F)F)cc1 17103301 JWNCQMKWGSEWIE-KKMKTNMSSA-N 439.466 4.479 50 40 IIGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2633180 RGSWIJANGWLJQT-XMHGGMMESA-N 426.476 4.345 50 40 IIGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)c1 9012273 YMXNNQSBZGXDDW-WGOQTCKBSA-N 426.476 4.428 50 40 IIGB Cc1sc2ncn(CCC(=O)NN=C(c3ccccc3)c3ccccc3)c(=O)c2c1C 22466516 QTUZIFVKJMDYHV-UHFFFAOYSA-N 430.533 4.034 50 40 IIGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(Cl)c(Cl)c1 409065287 HIWXLESBNUAWNK-NGYBGAFCSA-N 433.045 4.134 50 40 IIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)o1 409195873 RMIWWOUDVSLGJS-CXUHLZMHSA-N 431.404 4.115 50 40 IIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)c1 12040251 HJFCPCUAIKMUHQ-UHFFFAOYSA-N 444.329 4.041 50 40 IIGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)c1 12275067 QVHSREMGVUXIBH-UWJYYQICSA-N 446.450 4.357 50 40 IIGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 22135214 AVKMDSCYSIDVKK-LICLKQGHSA-N 427.298 4.246 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 32579188 TVCMOONCEFGLQM-BRJLIKDPSA-N 438.867 4.420 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCCCC2)c(C)n1-c1cccc(Cl)c1 39964473 IQIGNXHSLXMVHW-UNOMPAQXSA-N 425.916 4.210 50 40 IIGB COc1cc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc2c1OCO2 78549405 BPNMFDSBPICFHW-BHGWPJFGSA-N 448.504 4.205 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)c(Br)c2)c1 408752461 ATAONVMNJFIBRH-OQLLNIDSSA-N 429.270 4.319 50 40 IIGB O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)c1ccco1 408999870 XWVFWXJCSRHYKM-MTJSOVHGSA-N 446.244 4.227 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(O)c(OCC)c3)cc2c1 409188412 ZAJOHFCBYGFVLF-JJFYIABZSA-N 447.285 4.462 50 40 IIGB Cc1n[nH]c2c1[C@H](c1ccccc1OCc1cccc(Br)c1)C(C#N)=C(N)O2 1065326 NBQFFTFDFRTYKP-LJQANCHMSA-N 437.297 4.278 50 40 IIGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2219568 YKJYEZBLLVFZOW-YWDBVWQESA-N 447.491 4.161 50 40 IIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(Cl)c4)CC(=O)N32)cc1OC 12276171 AKYRLLTVFLASGW-OPAMFIHVSA-N 442.924 4.000 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)cc1 408530110 LDVKWJJIOXIQGA-KKMKTNMSSA-N 445.397 4.314 50 40 IIGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1O 16449225 RXSIFTLFGGBPMY-JMIUGGIZSA-N 430.214 4.087 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1 33658739 VLJKMZMLVMVMAP-FOKLQQMPSA-N 425.828 4.021 50 40 IIGB O=C(NNc1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 408613250 ZWGKSQZHZZGTFH-SFHVURJKSA-N 435.911 4.415 50 40 IIGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 408830532 NNYBFGYWWVSEEF-UHFFFAOYSA-N 433.961 4.362 50 40 IIGB COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 705822 AJELWWBGZNUJDL-IBGZPJMESA-N 437.297 4.170 50 40 IIGB CSc1ccc([C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 8934497 SPQYXMBLNBTDDN-UXHICEINSA-N 447.564 4.069 50 40 IIGB CC(/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)=C\c1ccccc1 12532535 YJGZGIONVVGAGX-SNRRJUOISA-N 425.535 4.368 50 40 IIGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCCCC3)c2C)c1 20243779 BJELICKLULWQDU-YDZHTSKRSA-N 431.378 4.101 50 40 IIGB C[C@H](NC(=O)COC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl 33527922 RIELHVZSCAIVRQ-FBKCMUNRSA-N 446.334 4.387 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 59152469 OEDQPPJWGVWWSK-DHRITJCHSA-N 438.867 4.390 50 40 IIGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1OC 408746391 YURZCJYZAGNUQH-ZSOIEALJSA-N 448.260 4.163 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)O 408791933 FLBWQSGSCKIDFD-NTUHNPAUSA-N 435.263 4.401 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)c(C)c1 408849496 WEECGNSCUGJJBN-GDNBJRDFSA-N 430.302 4.041 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1cccs1 409027688 DLFJKCWOVMWRMZ-HAVVHWLPSA-N 441.578 4.177 50 40 IIGB COc1ccc(OC)c([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)c1 2439004 IUMQINJGNFZQSF-QGZVFWFLSA-N 425.485 4.062 50 40 IIGB O=C(COc1ccc(Br)cc1)NNC(=O)c1sc2ccccc2c1Cl 12040025 DHCXQWFRIFNGPD-UHFFFAOYSA-N 439.718 4.157 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCCC)=C(C#N)[C@H]1c1ccccc1Cl 20347836 RLNJTJSEJMQMSK-HXUWFJFHSA-N 446.956 4.452 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 107588311 GRDSHDHVCHVJCC-FOKLQQMPSA-N 425.828 4.021 50 40 IIGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)Cc1cccc(C(F)(F)F)c1 408762983 CYGUSAXZDSNXNF-AUEPDCJTSA-N 443.219 4.086 50 40 IIGB O=C(CBr)C1=C(c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 779663 NSSLMMPCQNLNCX-UHFFFAOYSA-N 434.083 4.246 50 40 IIGB Cc1ccc(O[C@H](C)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 943543 NHRBPPYTKAKUEF-GXBAXFRPSA-N 440.681 4.237 50 40 IIGB N#CC1=C(SCC(=O)Nc2cccc(Br)c2)NC(=O)C[C@@H]1c1cccs1 9110404 UJTYKNNZLWKKAB-ZDUSSCGKSA-N 448.367 4.221 50 40 IIGB O=C(N/N=C1/CCCc2ccccc21)c1ccc(NS(=O)(=O)c2cccs2)cc1 12555391 GINNZGTXJUCATB-QOCHGBHMSA-N 425.535 4.019 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408744948 IPWAKOYUDZYESB-ZSOIEALJSA-N 449.290 4.490 50 40 IIGB CCCCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1OC 408979973 PABGUXNCLJPBKH-GGVNPZCGSA-N 441.528 4.202 50 40 IIGB Cc1ccc(CC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409360720 MWNBMLLFIQSAJL-UCQKPKSFSA-N 434.408 4.297 50 40 IIGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1790216 WEMBCJOBIMWIIH-HWLQVLAGSA-N 430.888 4.468 50 40 IIGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2cccc(F)c2)cc1 8400298 UICDSKSKWIRMQE-CVKSISIWSA-N 434.427 4.069 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc(Cl)cc1Cl 9678585 IYNJSDJGGCVIRZ-AUEPDCJTSA-N 447.278 4.017 50 40 IIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 18201388 COBCJTJNUNCAMK-NLRVBDNBSA-N 443.528 4.185 50 40 IIGB COC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 2336627 GWJAWNOZELFOEW-XYOKQWHBSA-N 430.247 4.182 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OC 2777419 MWLIEUVYTFEZBK-UFFVCSGVSA-N 441.709 4.039 50 40 IIGB Cc1ccc(O[C@H](C)C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 32511870 NHRBPPYTKAKUEF-ISZXUTBVSA-N 440.681 4.237 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 408808772 NHXJVXVOXVRVBU-QGOAFFKASA-N 445.450 4.397 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 409024593 FNDWONBKJQNFIX-JJIBRWJFSA-N 441.940 4.076 50 40 IIGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 409122182 ZYYJYFZLEXIRQO-WGOQTCKBSA-N 435.911 4.440 50 40 IIGB COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC(C)(C)C)cc2c1 925157 LDPTTZWVVFAPTF-GOSISDBHSA-N 427.888 4.320 50 40 IIGB C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Cl)c1Cl 2121960 MRUGUCZPQZIHBC-DSKMXOTJSA-N 444.318 4.180 50 40 IIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(Oc3ccc(F)cc3)nc12 13769206 UCBZUHCTWKVYHR-SAPNQHFASA-N 446.482 4.290 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C)cc2)c(C(=O)OCC)c1C 108126783 JEEACFABAPZHQW-GZTJUZNOSA-N 425.506 4.437 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)o1 408591421 SYSNYKBUKQAWFF-SRZZPIQSSA-N 447.276 4.364 50 40 IIGB O=C(NNc1cccc(OCc2ccccc2Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 408613148 ZLFAPXLOWUAZPZ-SFHVURJKSA-N 435.911 4.415 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(OC)c2OC)c1 408744510 FRRQHNFGKHJROP-ZSOIEALJSA-N 431.286 4.411 50 40 IIGB COc1cccc(/C=C(/C#N)C(=O)NCc2ccccc2)c1OCc1ccc(C(=O)O)cc1 409188447 ZFZRJGQUNFBCOM-HMAPJEAMSA-N 442.471 4.196 50 40 IIGB O=C(N/N=C/c1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3193622 FSOUXOQPXDHNJH-JFLMPSFJSA-N 434.455 4.410 50 40 IIGB COc1ccc(OC)c([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)c1 12276041 ZABQWNSAWBCAIL-AOMKIAJQSA-N 442.924 4.000 50 40 IIGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2C1 12986617 XICQZYCEMHKDBR-LBPRGKRZSA-N 448.470 4.152 50 40 IIGB O=C/C(=C\NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3)c1nc2cc(Cl)ccc2o1 16431171 SSWKEJLMUUYWBC-GXDHUFHOSA-N 443.846 4.074 50 40 IIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 408805765 LKSOBCVEJFFECF-QAEAHILHSA-N 441.915 4.188 50 40 IIGB Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccnc3)cc2[N+](=O)[O-])n1 409142087 BBWUPIORLOZMKH-CXUHLZMHSA-N 432.465 4.094 50 40 IIGB Cc1ccccc1C1=NO[C@H](C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)C1 1623772783 PXACMGFRMYPGOF-IBGZPJMESA-N 441.413 4.107 50 40 IIGB O=C(COc1ccccc1Cn1cnc(Cl)c1Cl)N/N=C/c1ccc(Cl)cc1 2157174 RGJLZYXJMZQFRN-PGGKNCGUSA-N 437.714 4.421 50 40 IIGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3Cl)c3ccccc3C2=O)c(C)c1 9403041 QIXVVPGXYSFOPA-ZHZULCJRSA-N 445.906 4.419 50 40 IIGB O=C(N/N=C\c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1)NC1CCCCC1 35409453 XGIDZNXBQQIDJS-KQWNVCNZSA-N 426.473 4.018 50 40 IIGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1C 408708624 RQBDGPRCQRTSFD-VULFUBBASA-N 444.491 4.142 50 40 IIGB CCCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F 408708873 UYOONUBNNNEUFU-ZMOGYAJESA-N 449.324 4.088 50 40 IIGB O=C(COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1)Nc1ccc(F)cc1 408955418 YDMNQRZHZNUSTN-WGARJPEWSA-N 431.423 4.353 50 40 IIGB Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)NCc3ccccc3)c2)c1 409266268 QEGKMFMRAABANS-HYARGMPZSA-N 425.488 4.236 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1c(C)cc(C)cc1C 6300225 RCKCIRVYGRBVFK-QHCPKHFHSA-N 430.508 4.449 50 40 IIGB Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 9441853 PEWVVNWBMYEKDH-UHFFFAOYSA-N 435.524 4.172 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1ccccc1C 9969784 HBOKOYZNFJCENK-OVVQPSECSA-N 433.508 4.401 50 40 IIGB COc1ccc(SCC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)cc1 30813980 HVSDYTNBEFGOEW-XKZIYDEJSA-N 444.354 4.491 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 33540358 ZGKSPBSFIJYDQG-SSDVNMTOSA-N 426.816 4.231 50 40 IIGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 101145803 PIHJFBINGSOLRQ-LICLKQGHSA-N 431.275 4.228 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCC(=O)OCC 408818735 OQQJSHNXPUHMBH-PDGQHHTCSA-N 438.455 4.050 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409005011 BXKRCVDVLVTQFA-QQXSKIMKSA-N 431.492 4.175 50 40 IIGB COc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(Br)c1 1434068 DLXKGJFIPZMGHC-DNTJNYDQSA-N 432.101 4.294 50 40 IIGB C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)/C=C/C(=O)O)cc1 32578354 SVWDAUPRKQJRLJ-DKIHOCOFSA-N 427.460 4.087 50 40 IIGB COc1ccc(C2=NO[C@@](C)([C@H]3CC=C(C)/C(=N\NC(=O)c4ccccc4O)C3)C2)cc1 102776575 IVWYPARVHVURSP-PUDBKSKJSA-N 433.508 4.426 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 408811260 APZBWIHJLDQJCH-HMAPJEAMSA-N 442.471 4.196 50 40 IIGB Cc1ccc(C)c(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)c1 408830451 RTZBPOHZHATGOS-UHFFFAOYSA-N 427.570 4.325 50 40 IIGB C/C(=N/NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1)c1cccc(Br)c1 894927 YBZZODREJYSRIR-AYBNGVQBSA-N 431.330 4.427 50 40 IIGB COc1cc(/C=N/NC(=O)CCC(=O)Nc2cccc3ccccc23)cc(Cl)c1O 2755293 KFWUQKDKLYFDHF-ZMOGYAJESA-N 425.872 4.076 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 20059969 LOIQQBHWXDZNFA-YYADALCUSA-N 449.576 4.348 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc(Br)c1O 32581092 WIRZIIDNHWQDAX-ZVBGSRNCSA-N 441.709 4.044 50 40 IIGB Cc1cccc(Cn2cc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])c3ccccc32)c1 408995659 KNBUKHLOJKUZNP-WGARJPEWSA-N 442.475 4.435 50 40 IIGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCC(=O)O 409058202 SDRRPDIPBFKIDU-WUXMJOGZSA-N 429.226 4.126 50 40 IIGB CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1cccc(C)c1 409127119 CHWYUSLTFJHLDS-UHFFFAOYSA-N 444.487 4.407 50 40 IIGB N#C/C(C(=O)NCc1ccccc1)=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 409387305 IGFMJRPEZBJXJY-XTQSDGFTSA-N 427.891 4.480 50 40 IIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1107283 ZWPBQOIMHMGXCP-IBGZPJMESA-N 427.372 4.179 50 40 IIGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c1 8952306 YNDVOPDAKRRMSE-UHFFFAOYSA-N 429.929 4.351 50 40 IIGB CCN1C=C(Cc2ccc(OC)cc2)C2=C(C1)[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 19827690 LSLYBGCMZYXURD-DEOSSOPVSA-N 429.520 4.228 50 40 IIGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1OC 20029486 CCFJWUSNXZSWKU-INIZCTEOSA-N 443.569 4.060 50 40 IIGB CC(C)(C)C(=O)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12 33668062 PKQDFEFGKHIRFZ-QHAWAJNXSA-N 426.472 4.074 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1O 408727263 YCXJIBKDBDTGCX-AUWJEWJLSA-N 448.260 4.168 50 40 IIGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2)c1 409224340 KVDMUKDTYKDAHT-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB COc1cccc([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1OC 2223550 IBKSGDPPYDTCPZ-OAHLLOKOSA-N 425.485 4.062 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(NC(C)=O)cc2)C(C#N)=C(N)O3)cc1 9359025 FDURIZAJVRTGDT-FQEVSTJZSA-N 429.480 4.042 50 40 IIGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N32)cc1 12275048 HNTGPROUFDEFIH-AVRDEDQJSA-N 426.925 4.382 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1C#N 409198384 FGUWMQUSLBQGKS-RGVLZGJSSA-N 429.501 4.431 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)c(O)c1 409389785 AGBQUCVRSUSZPT-SSDVNMTOSA-N 429.270 4.496 50 40 IIGB Cc1ccc(-n2c(NNC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 985042 GWUNMEUHMSRURF-UHFFFAOYSA-N 430.533 4.391 50 40 IIGB O=[P@@](c1ccccc1)(c1ccc(Br)cc1)[C@H](O)C(Cl)(Cl)Cl 1713536 HTQBYXWXVYEJQC-ZSEKCTLFSA-N 428.477 4.452 50 40 IIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2O)cc1 10059243 AUEVQFHMNABJGA-BTXKWLAHSA-N 435.318 4.206 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247100 CWKMHDQWCINFOK-IAWFGPOKSA-N 445.544 4.233 50 40 IIGB C[C@H](S[C@@H](C)C(=O)N/N=C\C=C/c1ccccc1)C(=O)N/N=C\C=C/c1ccccc1 104335187 YTYIKAKITSYVIU-YFFRYBBZSA-N 434.565 4.127 50 40 IIGB COc1cc(Br)c(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC 408885272 YVOUDFWDCYOCIF-LPYMAVHISA-N 428.286 4.021 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408955262 XVVPOCXNGVESMO-WYMPLXKRSA-N 425.872 4.218 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccc(F)c(Cl)c2)NC(=O)C[C@@H]1c1ccc(F)cc1 409314283 QULKWYNBVIUWEH-CQSZACIVSA-N 433.867 4.329 50 40 IIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(C)cc1 2312326 VHACOBVZTNPBBK-NHCUHLMSSA-N 449.532 4.253 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 4150628 RMWXLFNKAHITFE-FBCYGCLPSA-N 447.072 4.193 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccccc1 4196429 ZVCDFEAZMJIDSF-ZMOGYAJESA-N 440.297 4.196 50 40 IIGB CCN1C(=O)/C(=N/NC(=O)Cc2ccc(Br)c3ccccc23)c2ccccc21 13940150 IRNNUWOMXSYYNO-NJNXFGOHSA-N 436.309 4.032 50 40 IIGB Cc1ccc(NCC(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)cc1C 59249523 IPSUJKCKRCRRDF-ZMOGYAJESA-N 425.330 4.419 50 40 IIGB Cc1n[nH]c2c1[C@@H](c1ccccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 59447009 RDIULPXQDQHBJN-IBGZPJMESA-N 437.297 4.278 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408850230 IWJIZCZOTCHZBK-MSXFZWOLSA-N 444.871 4.191 50 40 IIGB CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc(C)cc1 409143083 MULMSCHOWTXMTL-UHFFFAOYSA-N 444.487 4.407 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1Cl 409317568 VMSLBRKXOHUSJD-OAHLLOKOSA-N 445.903 4.198 50 40 IIGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OC 409318331 VRMYQFXWLUIYOU-MYYYXRDXSA-N 449.463 4.345 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 650236 YZHMHWSZUQETCG-SSDVNMTOSA-N 427.800 4.059 50 40 IIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C 2054002 UBNIEWJAJMIGNS-DHRITJCHSA-N 438.915 4.153 50 40 IIGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1 2312327 VHACOBVZTNPBBK-LEWJYISDSA-N 449.532 4.253 50 40 IIGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 9110391 DMUVOJBJHQSOKV-OAHLLOKOSA-N 429.904 4.498 50 40 IIGB Cc1nc(Cc2ccccc2)sc1C(=O)N/N=C\c1ccc(Br)cc1O 11903746 BERLQGNMQOWCGC-NHDPSOOVSA-N 430.327 4.274 50 40 IIGB CCOc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccc(C)cc1 30828518 HILJCZFEUZURNX-NTFVMDSBSA-N 445.519 4.484 50 40 IIGB Cc1occc1C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 33563633 UCPZMQIEAFHPAM-AAODZYIFSA-N 425.916 4.421 50 40 IIGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408796006 WWROQCQPGRQAIA-XNTDXEJSSA-N 429.270 4.180 50 40 IIGB CCCCOc1cc(Br)c(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1OC 409197443 FLHHVPMAWQJSSQ-ZZQPOVDQSA-N 444.329 4.394 50 40 IIGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])cc1Br 409392076 NTMLOEZUCQOGQN-SSDVNMTOSA-N 427.258 4.073 50 40 IIGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1Cl 649744 KYNZDYXYXZURHP-UHFFFAOYSA-N 433.689 4.096 50 40 IIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867532 USVZOBDPSQJYKP-SFQUDFHCSA-N 431.379 4.499 50 40 IIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1 3222167 XDMQZHCLZBWYFN-CNHKJKLMSA-N 432.499 4.335 50 40 IIGB COc1cc(C(=O)NNC(=O)OC(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9585893 OBCDFDONISSHAO-UHFFFAOYSA-N 437.836 4.219 50 40 IIGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(O)c(OC)c4)cc3C2)cc1 58872023 DJEKTBDNSRENAQ-VULFUBBASA-N 431.492 4.084 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1ccc(I)cc1 408783350 OAROWBUXZPSUHU-MHWRWJLKSA-N 433.293 4.130 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(O)(c1ccccc1)c1ccccc1 1083309 CPRWBFRFYBFBNB-YZSQISJMSA-N 441.443 4.241 50 40 IIGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1 4947133 JAROOXAOGPETNE-UHFFFAOYSA-N 427.570 4.161 50 40 IIGB CCN(CC)c1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)c(O)c1 9183573 WLIFZGSUGZCPQT-FMCGGJTJSA-N 448.361 4.147 50 40 IIGB CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1 10475993 UPUZSZPFOXKCCD-YDZHTSKRSA-N 449.345 4.336 50 40 IIGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14824183 BUOZYZPYCCZJHB-UHFFFAOYSA-N 445.690 4.149 50 40 IIGB C/C(=N\NC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C)c1cccc(OC(F)F)c1 17103303 SASNKRJHYUHYKM-KKMKTNMSSA-N 439.466 4.479 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)n[nH]3)o2)cc1 67197104 SVHDSTWNRIHERP-MFKUBSTISA-N 428.448 4.277 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)NCc1ccc2c(c1)OCO2 409196841 ZFTVFQXEQTXJQE-SSDVNMTOSA-N 437.455 4.089 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 818607 HTRGKYRJMQWLSW-JOCHJYFZSA-N 438.455 4.058 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 33561415 HIXCAYCTOOOQQA-SSDVNMTOSA-N 426.816 4.231 50 40 IIGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 58900733 ZOBANGOYAPIMHS-YDZHTSKRSA-N 438.281 4.171 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408762018 JKUWRLMIHIJOHL-XDJHFCHBSA-N 448.500 4.317 50 40 IIGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)cc2)c1C 408785074 XVPAMNBZXWEJPS-ATVHPVEESA-N 447.320 4.474 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1 408816367 LGOLSAKGOBCNOV-MTJSOVHGSA-N 429.476 4.024 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)CC2=O)cc1C 409165506 YVQJRGAHNZBVFM-GRIZMQLISA-N 441.531 4.386 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 935176 NRQKYKSRYZGVSL-SWEXZPIWSA-N 432.332 4.166 50 40 IIGB CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc(OCC)cc1 8856209 BPWFLWGLQSJEGC-PCLIKHOPSA-N 441.532 4.182 50 40 IIGB O=C(NNC(=O)[C@H]1Cc2ccccc2S1)c1ccc(COc2ccc(Cl)cc2)cc1 14071484 XUNYCFWPKRJAFG-OAQYLSRUSA-N 438.936 4.397 50 40 IIGB CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1 59333198 ORSYXAYVXBVDLW-XLNRJJMWSA-N 425.488 4.405 50 40 IIGB C[C@H]1CC2(CCCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cccc1c32 95115727 IWMLXEGTYCDVEI-QWXGXRTQSA-N 429.520 4.212 50 40 IIGB O=C(O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245232533 XFUDWICYIROLJB-PFNPHEKDSA-N 449.872 4.254 50 40 IIGB C#CCOc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)cc1OC 408819816 SAEYUANPBSEKHH-NTEUORMPSA-N 429.245 4.154 50 40 IIGB CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC)c(OCC)c1)C(C#N)=C(N)O2 814152 IONOYXAKNPZHOP-QFIPXVFZSA-N 430.508 4.450 50 40 IIGB N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 34878345 LIOSOUAXRSRPFL-NTEUORMPSA-N 430.489 4.084 50 40 IIGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc5c(c4)oc4ccccc45)[C@@H]13)[C@H]2Br 101052621 KANINFNBLPIKRD-VTAJJLHNSA-N 426.266 4.096 50 40 IIGB Cc1cccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCC(C)C)c1 408707359 JIWSNYVBMRGADC-ZMOGYAJESA-N 445.361 4.114 50 40 IIGB O=C1[C@H]2[C@@H](C(=O)N1c1ccc3ccccc3c1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 8398210 WKKXVOBOSZBQMM-QGYQQZFISA-N 449.142 4.122 50 40 IIGB COc1cc(C(=O)NNC(=O)c2cc(C3CC3)nn2C(C)(C)C)ccc1OCCC(C)C 59037755 AXYVFOBZLMXXJU-UHFFFAOYSA-N 442.560 4.024 50 40 IIGB O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220867816 NVDPUBYDIJHSBF-HOTGVXAUSA-N 433.603 4.022 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 9308621 WVFJDIQEIUESHZ-HXUWFJFHSA-N 432.480 4.101 50 40 IIGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCCO)cc2Br)c(C)c1 11292476 XTIILUBBGCOTBJ-LICLKQGHSA-N 429.314 4.291 50 40 IIGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 16712376 IBWOMSHCKGHORK-ONUIUJJFSA-N 428.517 4.018 50 40 IIGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 33472653 ZIGBBTBDADRXHZ-ZROIWOOFSA-N 431.286 4.411 50 40 IIGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 59332989 HUCXWLPMOAUZDI-ATVHPVEESA-N 441.318 4.152 50 40 IIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)c1 408774849 DGKJTAPWXDXYMM-MLPAPPSSSA-N 446.257 4.396 50 40 IIGB Nc1c(Br)cc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1Br 1021217 UXVMEAVJZYIDGF-ODCIPOBUSA-N 436.107 4.039 50 40 IIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 20246961 QPCHNPFOBHWFFT-WSDLNYQXSA-N 425.466 4.247 50 40 IIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1 28215424 FVORNKBPJLGZFA-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB Cn1cccc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 32576883 GNXUVGPRJVZLSW-CFRMEGHHSA-N 437.956 4.319 50 40 IIGB O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(COc2cccc3cccnc23)cc1 102315729 WJHPDEWJUNPYDV-DZFGPLHGSA-N 446.576 4.111 50 40 IIGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408570505 WBSGUOIQAPCVNQ-QPEQYQDCSA-N 444.260 4.471 50 40 IIGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/C=C/c2ccccc2)c2ccccc2)cc1 408982869 ZNLXAYMKUSDPAT-QHUBJLAKSA-N 447.560 4.220 50 40 IIGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Br)o2)cc1 408999985 DJUIKBYTLBJCNP-WSDLNYQXSA-N 442.269 4.067 50 40 IIGB COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 409365321 QNQGPRXFNZAGEW-FOKLQQMPSA-N 428.832 4.079 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2Cl)[C@H]2CN(Cc3ccccc3)CC=C12 8926149 QOSBPNWWJOUHSK-GMAHTHKFSA-N 425.923 4.266 50 40 IIGB O=C(N/N=C/c1cccc(OC(=O)c2cccs2)c1)c1cccc(Br)c1 9668344 FHJZNMDUWHYMMV-CIAFOILYSA-N 429.295 4.494 50 40 IIGB Cc1c(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2n1Cc1ccccc1 9720521 YLEVMOOVKQEQQK-ALUKBCMLSA-N 425.488 4.288 50 40 IIGB O=C(N/N=C/c1cccc(I)c1)c1cc(Cl)cc(Cl)c1O 9948918 DVKBCMYXJUAPMN-CNHKJKLMSA-N 435.048 4.068 50 40 IIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C 58913791 HSTBMZBKUBTNMA-CVKSISIWSA-N 432.524 4.198 50 40 IIGB COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)c1 409258874 YBJGJPSONCRAMX-QFEZKATASA-N 437.883 4.130 50 40 IIGB COc1cccc(C(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2OC)c1 585087421 ZOXQNVOHTKZEQL-QQXSKIMKSA-N 426.476 4.320 50 40 IIGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 59266541 YVJSDOLMVXSRMF-NTUHNPAUSA-N 446.257 4.310 50 40 IIGB Cc1ccccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408660808 WXWHBDFODHWIAR-VQIMIIECSA-N 434.319 4.425 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c([N+](=O)[O-])c2)cc1 408746194 YCGDTOQOEXBAGR-JYRVWZFOSA-N 446.257 4.310 50 40 IIGB COc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 408861006 KSKCWWAOLVFKIE-WPWMEQJKSA-N 431.492 4.039 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 409235963 DNPVUKHYJQWCQN-QFEZKATASA-N 437.427 4.014 50 40 IIGB COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(C)cc2)cc(OC)c1OC 726375 XEXVAAYADAETLO-CVKSISIWSA-N 448.475 4.004 50 40 IIGB O=C(COc1cccc(Br)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1021311 DJUJIAADXVCHMU-SRZZPIQSSA-N 444.241 4.146 50 40 IIGB CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3cc(OC)ccc3OC)CC(=O)N2C1 9693175 SAOJNZWMSRWHPW-GOSISDBHSA-N 435.549 4.486 50 40 IIGB CCC1=C[C@@](C)(CC)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(C)cc1c32 13495683 UWNYCZRRQHTINH-CLJLJLNGSA-N 429.520 4.286 50 40 IIGB N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 17101874 XDIBZNHUNKQCGY-MDWZMJQESA-N 438.241 4.293 50 40 IIGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3c(C)n(C4CC4)c4ccc(OC)cc34)ccc21 40023694 XTMTUTJZAGTXJP-UHFFFAOYSA-N 445.523 4.046 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408793386 FAZBLGSHTAQJLE-NTUHNPAUSA-N 435.263 4.099 50 40 IIGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c2)cc1 408896984 PLCWLLLAKHXKJA-QGOAFFKASA-N 442.427 4.158 50 40 IIGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OCC 409311997 JADUWUWJIVNKGI-OYKKKHCWSA-N 432.904 4.475 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1OC 409362730 JYLYCFXQBVMKTA-WYMPLXKRSA-N 442.855 4.008 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408945933 OHXFVWHTVYGRFV-FOKLQQMPSA-N 440.843 4.118 50 40 IIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 408995618 KFZQURLAMRVVHI-HAFIMRKLSA-N 426.542 4.357 50 40 IIGB C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 409047169 NHKUZPCIVQKBHD-OQLLNIDSSA-N 429.259 4.338 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409182270 JRGVUHIHRFHUOZ-UFFVCSGVSA-N 444.787 4.189 50 40 IIGB Cc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)s1 673695 APQGEDAFTHFOCH-REZTVBANSA-N 432.137 4.111 50 40 IIGB COc1ccc(C(=O)C2=C(C(F)(F)F)OC(N)=C(C#N)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1089470 KZBPFQAKWLRVNR-INIZCTEOSA-N 445.353 4.110 50 40 IIGB Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 2221957 ZEUNNLNQTDDDKK-CVKSISIWSA-N 442.544 4.245 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 9289364 SKZQBHAXYPKJIV-BUVRLJJBSA-N 437.293 4.361 50 40 IIGB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2 15930311 BWTBAIOCWSFSRC-JCMHNJIXSA-N 428.536 4.283 50 40 IIGB COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc(Br)c1O 28217672 YZXGJFXNJGTRGQ-DNTJNYDQSA-N 443.750 4.200 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)o2)cc1 44835471 HNEURHAFRGYDEK-ZMOGYAJESA-N 426.856 4.306 50 40 IIGB COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)OC(C)C)cc1OC 71805140 XRELFHJDFQHLMQ-NDENLUEZSA-N 431.492 4.474 50 40 IIGB COc1ccccc1NC(=O)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408544987 WQAKARQTYJUWAE-MSXFZWOLSA-N 432.436 4.145 50 40 IIGB COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1F 606422260 ICUMJIVLEGAAEO-QFIPXVFZSA-N 434.398 4.411 50 40 IIGB C/C(=N\NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1cc2ccccc2o1 33367267 XKNNWBHEDJLVFJ-YZSQISJMSA-N 436.475 4.289 50 40 IIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 100179809 KTSVMZGRLSGIAZ-FQKVFEMWSA-N 430.140 4.194 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 408798342 HUWCHEOLEHAYDX-XDJHFCHBSA-N 433.508 4.069 50 40 IIGB CCOc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc(Br)c1O 409124469 KPHWIOYWMXDCPG-CIAFOILYSA-N 437.359 4.494 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]2CN(Cc3ccccc3)CC=C12 13512657 BTIIWIFSPDNJFX-DHIUTWEWSA-N 425.923 4.266 50 40 IIGB Cc1cc(C(=O)NNC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c(C)o1 32933160 NMEQWKUTKWVYFH-UHFFFAOYSA-N 449.891 4.386 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 33533227 CFFWLWLPNOCJAI-WGLQLPMYSA-N 439.556 4.370 50 40 IIGB CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Br 408876531 LYCJLNIAKUCQPP-CXUHLZMHSA-N 445.313 4.088 50 40 IIGB CC(C)(C)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 409156650 TVGXGUKWZNNTMR-CBFMJHRQSA-N 442.357 4.250 50 40 IIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCC(=O)O 409390243 CDNAXFWTTYVURW-MLPAPPSSSA-N 427.844 4.151 50 40 IIGB Cc1ccccc1-c1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1 8386333 CVKIIAUFUWMWKF-UHFFFAOYSA-N 444.471 4.126 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1O 14134715 NOIKARLQQXDGAY-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 30902127 FUICSBFNDWQZBB-ZBKNUEDVSA-N 440.681 4.157 50 40 IIGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1cccc(O)c1)oc1ccccc12 100929989 NNLXGTZBEAGBRV-VULFUBBASA-N 431.448 4.435 50 40 IIGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1c(OC)ccc2ccccc12 408608865 XBEWDPMNTOUACB-OAQYLSRUSA-N 447.564 4.102 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC 408759466 FNEYACWTMIUSAH-WJDWOHSUSA-N 425.282 4.405 50 40 IIGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408789749 KUFCILGNOZNSJN-MDWZMJQESA-N 449.688 4.200 50 40 IIGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccccc2)cc1 408868162 MPIMDNCFYTYFPR-UHFFFAOYSA-N 443.569 4.107 50 40 IIGB CCc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 409112991 MYJYODHJBLJVNO-KOEQRZSOSA-N 441.597 4.031 50 40 IIGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc2ccccc2n1 3371845 UHGYUFRCTMXUCC-AWQFTUOYSA-N 449.102 4.229 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1Cl)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 13567636 JBVLLJQJCBKPSC-VWLOTQADSA-N 444.922 4.387 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccccc1 20059244 ZFTPDLRIJKNYOJ-LHLOQNFPSA-N 449.576 4.424 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 28640884 JTEJJFXLLZPCLH-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 107866497 BDGWHDJIILWKMQ-SSDVNMTOSA-N 426.816 4.231 50 40 IIGB Cc1c(C(=O)NN=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc(N)c1C#N 252517970 WFHKPXHPJVFKDN-UHFFFAOYSA-N 429.845 4.096 50 40 IIGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1OC 408745005 OQRBJGYQHYEARF-ZSOIEALJSA-N 448.260 4.163 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1 408788616 LPOIKCQYTFSQMC-OQLLNIDSSA-N 444.871 4.146 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(OC)c2)cc1 408878069 WEUMOWCFMSUNRP-OVCLIPMQSA-N 429.270 4.180 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(F)cc1 409094834 GHWIHRSQGHKKRR-DEOSSOPVSA-N 446.434 4.360 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C/c3cc(Br)c(OC)c(OC)c3)cc2c1 409187210 NMDGKTKHMWXUCX-SSDVNMTOSA-N 447.285 4.375 50 40 IIGB CCOc1cc(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1O 409215250 WBYZCEMUEXBPLL-AWQFTUOYSA-N 443.750 4.449 50 40 IIGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)ccc1OC 409319456 GMGCLWACIMIWOV-MYYYXRDXSA-N 449.463 4.345 50 40 IIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2)sc2c1CCCC2 1453400 CAAFOIXWLIAVRM-RVDMUPIBSA-N 432.505 4.349 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 9290800 TULOHNQYMYDDHV-LJQANCHMSA-N 432.480 4.101 50 40 IIGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)ccc4OC)CC(=O)N3C2)cc1 9693171 MVQKMTBMEZSDQI-LJQANCHMSA-N 435.549 4.486 50 40 IIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 20211507 DRUOLCZXMMYNAG-UHFFFAOYSA-N 448.416 4.468 50 40 IIGB CCOC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 20813962 VHQGUBSHQSBXCV-HXUWFJFHSA-N 439.562 4.379 50 40 IIGB COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 33713874 NOAFRULYWPZFGY-DJKKODMXSA-N 434.271 4.345 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)cc1 2053934 PBELEASGICUMNZ-CVKSISIWSA-N 432.524 4.315 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccccc1C#N 8721776 ZTRAXTQEFMVERK-WKULSOCRSA-N 442.450 4.311 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1C 27093351 JAZPJGHCWBEVHM-ORTNRGLGSA-N 444.539 4.457 50 40 IIGB COc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 34856891 UAEPFNWGCUIPIW-NBVRZTHBSA-N 445.450 4.397 50 40 IIGB O=C(N/N=C/c1ccccc1Oc1ccccc1)c1c(O)c2cccc3c2n(c1=O)CCC3 100912488 CTDSRYLJUSDVOX-JVWAILMASA-N 439.471 4.210 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCC#N 408743557 GQWXESAZEXGDCD-DHDCSXOGSA-N 426.270 4.214 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 409200327 KUDCNOYDFBPNBD-SCRDLHCBSA-N 434.883 4.203 50 40 IIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(OC)cc2)cc1 409219818 QSHUBYGDFOAVNP-QFEZKATASA-N 438.867 4.340 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCC 8812912 XTJFKXGIBOCBNO-LPYMAVHISA-N 433.302 4.185 50 40 IIGB COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C1C#N 9015068 QVPPIMRSROBOFF-MRXNPFEDSA-N 441.940 4.368 50 40 IIGB Cc1ccccc1OCC(=O)NNC(=O)c1ccccc1CSc1nc2ccccc2o1 32971041 KOKPNIMGMNGJQO-UHFFFAOYSA-N 447.516 4.269 50 40 IIGB COc1ccccc1CC(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 101512565 UGIGAFPRMIMWCH-RPPGKUMJSA-N 441.837 4.431 50 40 IIGB NNc1oc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102619157 UNUYTFJXOJDWBD-UHFFFAOYSA-N 436.475 4.247 50 40 IIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2Br)cc1 408720073 QZWFQTSJSDSLOA-LPYMAVHISA-N 434.359 4.181 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408727054 PLERUEIREYJNCJ-MFKUBSTISA-N 449.463 4.345 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408744887 NWGYFMVGQAZOPS-SXGWCWSVSA-N 428.872 4.145 50 40 IIGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1F 408812995 DAQXRZWYCXMMPB-ZROIWOOFSA-N 447.260 4.076 50 40 IIGB CCc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408855338 CFKPVJUFBPTSAQ-MXAYSNPKSA-N 448.479 4.209 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)cc1C 408857414 UYFLGKVYLWLITJ-GDNBJRDFSA-N 430.302 4.041 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(Br)cc1 863648 BELPBGWTKMFXTR-SSDVNMTOSA-N 447.720 4.126 50 40 IIGB C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 954724 UKIHNNRFMOETMN-PCFHJBBPSA-N 449.363 4.040 50 40 IIGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OC 1094423 MWPZMVBSMGEPMM-AWQFTUOYSA-N 443.750 4.362 50 40 IIGB COc1ccc(/C(C)=N\NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 8780791 JWCQVLHEQYNSKD-JLPGSUDCSA-N 444.373 4.210 50 40 IIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N32)cc1OC 12275072 IXMXYLCKEBRLOB-AOMKIAJQSA-N 442.924 4.000 50 40 IIGB CC/C(=N\NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(OCCN2CCCCC2)cc1 17094766 XZCREVUVSDOCNT-CTNNYUBMSA-N 426.388 4.366 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 20059967 LVISYHPGQITZOX-LKUDQCMESA-N 435.549 4.039 50 40 IIGB COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc(C(=O)OC)c1 96024142 YIFSNLVNCPYUKW-SFQUDFHCSA-N 449.488 4.368 50 40 IIGB O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 107997474 MPVUVFAOCVMTDS-WSDLNYQXSA-N 434.433 4.062 50 40 IIGB CCOc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 408641925 DKNBCKCHKQBFSU-OXQOHEQNSA-N 447.890 4.001 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1O 408724518 AZASYFSADVGZCR-SDQBBNPISA-N 432.230 4.007 50 40 IIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 408868397 OHDTVFXSYUDOIJ-VULFUBBASA-N 432.524 4.117 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)OC 408982599 IEQXRNFTOUDRTM-SXGWCWSVSA-N 428.872 4.145 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)OC 409221240 NEEIMANEBZODEW-DHDCSXOGSA-N 448.397 4.202 50 40 IIGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)cc1 9375288 IYRFTYNHNMDMDW-PCLIKHOPSA-N 436.512 4.427 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 9907388 YZSAGPKPZHHUHS-KPKJPENVSA-N 435.661 4.112 50 40 IIGB COc1cccc([C@H]2CC(=O)N3CN(CCc4sccc4C)CSC3=C2C#N)c1 20348159 NKIGHESSTWYUCT-GOSISDBHSA-N 425.579 4.323 50 40 IIGB CCOC(=O)/C(C#N)=C(O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 31830026 SNAJJOCSGOXFJZ-AQHVKWFBSA-N 441.281 4.119 50 40 IIGB N#C/C(=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1nnc2n1CCCCC2 33704589 CYAFRNVJJBJETH-SDXDJHTJSA-N 432.553 4.029 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 59535802 ULSPPAMXULXOCO-OBGWFSINSA-N 434.473 4.009 50 40 IIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408742895 TZURUWZSUUTKDE-RWPZCVJISA-N 429.451 4.482 50 40 IIGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1 408829289 OZTXTGQLOPPVKJ-LPYMAVHISA-N 447.969 4.056 50 40 IIGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C 409019935 KZFKNTNKYRIFOE-WSDLNYQXSA-N 437.412 4.173 50 40 IIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NCc1ccco1 1090968 FCOVMLHMOXUACM-XYOKQWHBSA-N 442.225 4.434 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)cc1 1453941 DJULDROCGLGDDS-XNTDXEJSSA-N 429.270 4.180 50 40 IIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1I 9263127 WRYNYYRWBRKTRA-NTEUORMPSA-N 448.260 4.244 50 40 IIGB CCOC(=O)c1cccc(N2CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N3C2)c1 9408644 JMASHWMJCDIMKW-IBGZPJMESA-N 437.496 4.222 50 40 IIGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)[C@@H](O)c1ccccc1 59417715 FYJBLAYOXUYMJP-GQBLCDNYSA-N 439.309 4.212 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC 408787904 HKZSVVBFGBEVDP-MHWRWJLKSA-N 428.872 4.470 50 40 IIGB Cc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)ccc1Br 409127252 CTAOUWLKLCOAAD-ZDUSSCGKSA-N 446.326 4.061 50 40 IIGB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Br)[C@@H](Br)c1ccccc1 1801221 BQTQWRLEIGQTFB-KBPBESRZSA-N 428.080 4.433 50 40 IIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 2134906 VQQBRIHYMNIHRI-CQSZACIVSA-N 439.339 4.419 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccc(Br)c1 9109879 AYBYRRAYYVWICM-INIZCTEOSA-N 442.338 4.160 50 40 IIGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)c1 13786608 LYVJCIABSNVIPM-XDJHFCHBSA-N 442.519 4.460 50 40 IIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408607046 BLTXCRUIYPRBMK-JFLMPSFJSA-N 449.482 4.065 50 40 IIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1O 408845457 NDZXXPFATPAARJ-JJFYIABZSA-N 429.270 4.402 50 40 IIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 408908842 SLBBLGNIRJBBNQ-JZZXMACJSA-N 445.519 4.073 50 40 IIGB C[C@@H](C(=O)NN=C1CCCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026557 SCVUXUPLQCVACY-SFHVURJKSA-N 443.569 4.460 50 40 IIGB CSc1ccc([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 8411605 SPQYXMBLNBTDDN-VQTJNVASSA-N 447.564 4.069 50 40 IIGB N#CC1=C(N)n2c(nc3ccccc32)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 9716420 MQDNTWMWNMMKSR-FGZHOGPDSA-N 435.443 4.359 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9905682 OUOWHXDJGZVUSQ-CIAFOILYSA-N 428.242 4.310 50 40 IIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cc(Cl)ccc2C)C2=C1C(=O)CCC2 13567737 VOVMASQGZMTUKQ-RUZDIDTESA-N 444.922 4.368 50 40 IIGB O=C1c2ccccc2C(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97949714 IHKDMQNGHRYOBO-UHFFFAOYSA-N 436.471 4.277 50 40 IIGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OC 409303182 MBQIBTIONGJERX-WGARJPEWSA-N 438.455 4.194 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 3102333 CDOMDIGIJQNVLH-FOKLQQMPSA-N 433.247 4.335 50 40 IIGB C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(N2CCOCC2)cc1 8450844 TVDXGJZDOWYPCH-OVVQPSECSA-N 427.504 4.301 50 40 IIGB O=C(CN(Cc1ccccc1)C[C@H](O)CCl)Nc1ccc(OCc2ccccc2)cc1 12648300 XQTPCGDEYXTYJX-HSZRJFAPSA-N 438.955 4.306 50 40 IIGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3nccs3)cc2OC)cc1 12661018 PXPZBQADNZIYRM-WOJGMQOQSA-N 449.488 4.063 50 40 IIGB O=C(N/N=C/c1cc(Cl)ccc1O)/C(=C/c1cccs1)NC(=O)c1ccccc1 15134262 LFGCLEGEYJSYEC-WVVFEJFTSA-N 425.897 4.028 50 40 IIGB CCCCOc1ccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20130173 XMWWRSMUDVJIOE-URXFXBBRSA-N 445.567 4.008 50 40 IIGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OCC(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408602129 AOYVJHXEVAYOJC-IBGZPJMESA-N 426.542 4.058 50 40 IIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I 408743482 AMAYNCGHFVNLHJ-WQLSENKSSA-N 438.652 4.499 50 40 IIGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1 2339125 UTCTZLZGEJHNNM-SRZZPIQSSA-N 444.607 4.390 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccccc1 409047855 PWFMZKCDOZPBEQ-ZVHZXABRSA-N 435.436 4.042 50 40 IIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1cccc2ccccc12 2131907 LBLXDCSCNGBPEY-CYBMUJFWSA-N 433.291 4.140 50 40 IIGB COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3Br)C(C#N)=C(N)N1CC2 9129920 HBJFVOYPJDSIJG-MRXNPFEDSA-N 438.325 4.157 50 40 IIGB COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)COc1cc(C)c(Cl)c(C)c1 12466520 JVPCPVGMCGJTKD-PCLIKHOPSA-N 431.920 4.174 50 40 IIGB CCCCOc1ccc([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20130166 XMWWRSMUDVJIOE-QPPBQGQZSA-N 445.567 4.008 50 40 IIGB C/C(N)=C(\C#N)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1cc(C)ccc1C 104799964 ZKIJVIIMGWPITF-PEZBUJJGSA-N 438.578 4.098 50 40 IIGB CC(C)CNC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 223169819 VWZUGLJJSNIXLA-YVLHZVERSA-N 445.441 4.402 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC(=O)O 408761034 GSLUFFYWUXJNRO-YBEGLDIGSA-N 441.281 4.187 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1 408890162 OXOWBZPYPZWIOJ-XMHGGMMESA-N 442.427 4.158 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OC)cc3OC)cc2c1 409186721 GZGPPXIWIZSRAU-JJFYIABZSA-N 447.285 4.375 50 40 IIGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1 409192313 ARMRCSQXAOAFFL-SSDVNMTOSA-N 427.800 4.059 50 40 IIGB NNC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 1470811 FXOYOUJHDNVDSW-OAQYLSRUSA-N 425.319 4.467 50 40 IIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@H]2C1 226533467 YJKJPGFKLRSBPU-NIGUNECTSA-N 445.526 4.227 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Br)cc1 408570605 XCZYIPSUZAZVTG-RGVLZGJSSA-N 437.384 4.457 50 40 IIGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OC 408691622 ISXABIJCJKOGHJ-AUWJEWJLSA-N 445.260 4.265 50 40 IIGB CCOc1ccc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)cc1I 408905549 ZCLCSMHXIHBQER-JAIQZWGSSA-N 437.281 4.462 50 40 IIGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)O 409213120 SKEIFIDTOULBCC-AUWJEWJLSA-N 447.241 4.284 50 40 IIGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccccc2)cc1 409227905 XDNGWPXMQWXUJP-NCEOBYAFSA-N 429.432 4.286 50 40 IIGB CCOc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 1089106 FAWXIGNLEVEBMH-BUVRLJJBSA-N 444.373 4.210 50 40 IIGB O=C(CNc1ccc(Br)cc1Br)N/N=C/C=C\c1ccccc1 12375796 FZLBEBBJUDKOQZ-NZCXDWSCSA-N 437.135 4.439 50 40 IIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 19948032 KQEPNRYSWVTXAW-YYADALCUSA-N 449.576 4.315 50 40 IIGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2\C=C(C)CC(C)(C)C2)c1 33393906 MEMBKOIBJUYRGY-HKOYGPOVSA-N 441.553 4.348 50 40 IIGB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)/C(C#N)=C\c2ccccc2)c1 33703544 JKZXWIBLMBBYQP-JXAWBTAJSA-N 433.489 4.042 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)c1 408527825 GNBFIHZNHOUGHL-KKMKTNMSSA-N 445.397 4.314 50 40 IIGB C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC 409186660 GDUQOEPZPXRENW-QQXSKIMKSA-N 432.476 4.345 50 40 IIGB O=C(COc1cccc2cccnc12)N/N=C/c1cccn1-c1ccc(Br)cc1 693807 SOMOHBPKECWQGG-AFUMVMLFSA-N 449.308 4.317 50 40 IIGB Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 3451890 IZJQBJTYQNGIIN-KKMKTNMSSA-N 429.446 4.129 50 40 IIGB COC(=O)c1ccccc1[C@@H](Br)[C@@]1(Br)OC(=O)c2ccccc21 3845499 TYEZGMJNGDGVDV-PBHICJAKSA-N 440.087 4.328 50 40 IIGB biogenic C/C(CCC(C)C)=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 5119539 NUHTUTACFINYHL-LYBHJNIJSA-N 429.586 4.358 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(C)C 8812908 BOSJNYTZRSTSIK-WSDLNYQXSA-N 435.318 4.408 50 40 IIGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1 10059622 WONCQWJZSJXJGD-WSVATBPTSA-N 432.499 4.335 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21 12402229 MVYVNXUOAMZQHE-VWLOTQADSA-N 446.457 4.012 50 40 IIGB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN12 13777053 PKQDFEFGKHIRFZ-HBMCJLEFSA-N 426.472 4.074 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3F)nc3ccccc3c2=O)cc1 16712095 BCWJQBKISBZMNC-WGARJPEWSA-N 446.507 4.076 50 40 IIGB Cc1ccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CCCC2)cc1 408709142 YCIDDHGWHLEFMQ-YDZHTSKRSA-N 443.345 4.010 50 40 IIGB CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC 409123593 HLOGAFLHAVEYBA-GOSISDBHSA-N 433.302 4.061 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)CC2=O)cc1 409151753 HJJGPNDRISGQHG-IEZSBWOXSA-N 427.504 4.077 50 40 IIGB Cc1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc1)C(C#N)=C(N)O2 1026945 IUCGHGGDIGZZRX-SFHVURJKSA-N 441.274 4.462 50 40 IIGB O=C(Oc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1)c1ccccc1 2676153 AUNQTVYBCMUSFH-YDZHTSKRSA-N 439.265 4.138 50 40 IIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccccc2I)c1 34696868 SSRIUQXLDVJZBG-LPYMAVHISA-N 443.288 4.463 50 40 IIGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)C1 101156109 WPEGIKVPRLCTMH-KNRVJZGRSA-N 430.552 4.025 50 40 IIGB OCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169010435 JDMGPDGPRPVHMW-YFKPBYRVSA-N 432.064 4.421 50 40 IIGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408791046 VGWNZEBUVRSQST-YZSQISJMSA-N 449.576 4.211 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br 408813581 XZBRAGBVCLWKSE-NTEUORMPSA-N 447.260 4.076 50 40 IIGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3ccc(C)cc3OC)ccc2OC)cc1 408898731 MRFCUBWWIHZIAH-CVKSISIWSA-N 448.475 4.004 50 40 IIGB COc1ccccc1/C=N/NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 825732 RBWWRUKIKDIAPY-OTUOEDBFSA-N 445.544 4.233 50 40 IIGB COc1ccc(Nc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)s2)cc1 3290940 KREJRIBSGPVWEV-UHFFFAOYSA-N 436.522 4.224 50 40 IIGB COc1ccc(OC)c(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3ccccc3n2)c1 15933679 ADDMFVIOHGVKCK-LQKURTRISA-N 426.476 4.468 50 40 IIGB CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SC)N[C@@]1(O)c1ccccc1 19816016 KHKYGIMJQVADDJ-CNNODRBYSA-N 428.941 4.150 50 40 IIGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O 20212891 NYAOEEFKFNEONU-UHFFFAOYSA-N 427.998 4.123 50 40 IIGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33412036 KKCGNCZSJHNGMR-AFUMVMLFSA-N 435.549 4.425 50 40 IIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@H](NC(=O)OCC)c1ccccc1 409001977 LGRUGMREKNKTDL-UBCTUXONSA-N 443.503 4.179 50 40 IIGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 13055499 YMCAMKLFNIFIOC-JOCHJYFZSA-N 449.532 4.479 50 40 IIGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 16230122 ZOUCIEXENHSDMO-UHFFFAOYSA-N 444.365 4.301 50 40 IIGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 28640876 FJUGMDAXRCJYGK-DICXZTSXSA-N 445.519 4.402 50 40 IIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33862509 JFPIKGKUGIABKB-OPEKNORGSA-N 432.358 4.436 50 40 IIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)o1 408529217 IRUDLYBPDAMFLP-KKMKTNMSSA-N 445.397 4.314 50 40 IIGB Cc1ccsc1/C=N/NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 409183167 AQKGBAUKIGHBCN-YZSQISJMSA-N 432.593 4.138 50 40 IIGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccccc2)cc1 409221951 BVRXGRFKBRPTST-YQQIJQLDSA-N 429.432 4.286 50 40 IIGB C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(Br)s1 1434098 UJPNTEZTXSAABQ-PCYPHTAMSA-N 432.137 4.191 50 40 IIGB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2C1 13135136 HIUHNSMHFWSAPZ-HNNXBMFYSA-N 438.487 4.358 50 40 IIGB O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 16993774 DDUWQTHZYZMWOF-YZSQISJMSA-N 426.476 4.168 50 40 IIGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(NC(=O)C(C)(C)C)c1 27692281 MSPQBVPIJFJZNK-INIZCTEOSA-N 433.508 4.053 50 40 IIGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc21 208249051 OWRSAHMGINURAB-PUMVZNGMSA-N 444.919 4.499 50 40 IIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 408592455 YHGHHACSGIQZJF-FSJBWODESA-N 426.860 4.428 50 40 IIGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1 408607791 OIYMIBBRGPFMES-FQEVSTJZSA-N 445.519 4.079 50 40 IIGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)cc(C)c1 408706774 DMFWDFGRYISCFQ-AQXNZCSYSA-N 445.361 4.174 50 40 IIGB N#CC1=C(SCC(=O)c2ccc(Br)cc2)NC(=O)[C@H](C#N)C12CCCCC2 17043812 AKBGCZXAAHYAGQ-HNNXBMFYSA-N 444.354 4.320 50 40 IIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 20076171 YKPIJMDWLVHPQH-VUTHCHCSSA-N 440.547 4.357 50 40 IIGB CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 26123727 FHCWHADQGFQJRL-DJKKODMXSA-N 442.107 4.080 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c(C)c1 408644072 GTELGIGMJLTPGS-YLJYHZDGSA-N 431.891 4.219 50 40 IIGB CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCC(C)C)cc1 408706749 DBYVVBWLVQXGEM-AFUMVMLFSA-N 430.936 4.095 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 408790767 YKSUZSSHWICPTG-LFIBNONCSA-N 431.404 4.496 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)OC 408794927 KMNMKNSTSMDDQM-RQZCQDPDSA-N 442.899 4.453 50 40 IIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2ccccc2)cc1 1474044 NYOVHZPLSZUQAC-OEAKJJBVSA-N 449.561 4.247 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1c(F)cccc1Cl 9012534 YDDPUWNUTXXOPD-HXUWFJFHSA-N 440.862 4.316 50 40 IIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc2ccccc2c1 12576934 NPSWBHRQZUQKEO-ZDUSSCGKSA-N 433.291 4.140 50 40 IIGB O=C(NN[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 12647890 NOTLZLMZOKNDFC-QHCPKHFHSA-N 449.938 4.173 50 40 IIGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(-n2cc(Br)cn2)cc1 40086636 TXOBPQBYFYPVMD-UHFFFAOYSA-N 425.208 4.411 50 40 IIGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)[C@H](C(=O)c1ccccc1)c1ccccc1 100056156 HAQLBZWYKGCOKC-RASHHNMQSA-N 449.304 4.135 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 408675957 CTAZSJCWOVZEFM-CVKSISIWSA-N 430.508 4.187 50 40 IIGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)cc(C)c1 408706775 DMFWDFGRYISCFQ-GIEPYWIESA-N 445.361 4.174 50 40 IIGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccccc2)c1)CCCC3 408732050 OPLATNQKSSVUCE-YSMPRRRNSA-N 442.544 4.398 50 40 IIGB CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408967235 PJYVEMBVLIIZEC-ZFILKEQLSA-N 448.292 4.410 50 40 IIGB CC(C)Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccnc1 408973370 MDSGPGQMMVLCQK-AWQFTUOYSA-N 441.123 4.158 50 40 IIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC 409050876 BVBRCLVBVCHUAV-SSDVNMTOSA-N 435.705 4.195 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1 3248512 RXRIEGIXDSMZKY-HXUWFJFHSA-N 435.549 4.413 50 40 IIGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N/NC(=O)C(=O)Nc1cccc(Cl)c1C 14923643 GEMCHQDTZAYOIE-ROTLSHHCSA-N 435.311 4.070 50 40 IIGB COc1cc(OC)c(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Br 409247977 FKBCNONSONHMDS-YDZHTSKRSA-N 427.298 4.312 50 40 IIGB O=C(NNc1ccc([N+](=O)[O-])cc1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 8925993 NIWIMBXHSGABNV-QNUVFLEMSA-N 428.448 4.065 50 40 IIGB CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)CC(=O)N2C1 9693111 QILHELKUSRINCO-SFHVURJKSA-N 435.549 4.486 50 40 IIGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC(C)C)cc4)CC(=O)N32)c1 12275623 GHNHRSNAOJKAFS-YKSBVNFPSA-N 436.533 4.126 50 40 IIGB COC(=O)c1ccc(COc2ccc(/C=C(/C#N)S(=O)(=O)c3ccccc3)cc2)cc1 32577827 UUPRQEXCTQXVOA-HAHDFKILSA-N 433.485 4.391 50 40 IIGB C/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)c1c(C)nn(-c2ccccc2)c1O 408952003 JMTKOKFGLKTXHR-FMCGGJTJSA-N 433.295 4.112 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1cccc(I)c1 409003282 ZEDQBQJSSQMRJR-RGVLZGJSSA-N 433.249 4.056 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc([N+](=O)[O-])cc1 409024099 VHMQSVRSIAVCHY-VULFUBBASA-N 443.463 4.080 50 40 IIGB Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 409033687 OTOADKSTFQRWRR-NTCAYCPXSA-N 434.879 4.342 50 40 IIGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 2070372 FJNCBZPHWVBBLG-WYMPLXKRSA-N 448.972 4.444 50 40 IIGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)cc1 2351247 IWYJXFKTIZDATJ-BUVRLJJBSA-N 435.484 4.091 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1c(F)cccc1Cl 9012533 YDDPUWNUTXXOPD-FQEVSTJZSA-N 440.862 4.316 50 40 IIGB CS(=O)(=O)N(Cc1ccc(C(=O)NN=C2CCCCCCC2)cc1)c1ccccc1 20232426 GWBOMXQVQUXZIG-UHFFFAOYSA-N 427.570 4.483 50 40 IIGB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)c1C 32915865 CLGQDUNNHZBWEB-KGENOOAVSA-N 437.565 4.250 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 408815471 JKUUSMIEQCPNES-NDENLUEZSA-N 430.464 4.234 50 40 IIGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 3231973 FMYZHTPVWABZIJ-VULFUBBASA-N 429.446 4.079 50 40 IIGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc5c(c4)OCO5)cc3C2)cc1 16691718 LEAOVTTYQMSOAX-LGJNPRDNSA-N 429.476 4.098 50 40 IIGB C/C(=N/NC(=O)CCCSCCCC(=O)N/N=C(\C)c1ccccc1)c1ccccc1 17288824 ATVJQCXHIFNVEG-GAHATOAQSA-N 438.597 4.361 50 40 IIGB O=C(CCCC[C@H]1CCSS1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220867881 NVDPUBYDIJHSBF-CVEARBPZSA-N 433.603 4.022 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)O 408794406 IZKVAZCHEIGJHY-WLRTZDKTSA-N 435.263 4.320 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccc(Cl)cc1Cl 409231219 IWFFSGLDGRNKBM-AUWJEWJLSA-N 434.279 4.073 50 40 IIGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(I)cc1 409389946 BCZCDPOQBMZTDI-WSDLNYQXSA-N 429.261 4.007 50 40 IIGB Cc1cc(OCC(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)ccc1Cl 3034323 FQHFBDBYTIHMRJ-HWBYCEQYSA-N 438.867 4.389 50 40 IIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 3146631 ACZTWRVVTPROQT-YZSQISJMSA-N 449.576 4.464 50 40 IIGB COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C1C#N 9012477 OXOOEESHXUVZIC-GOSISDBHSA-N 435.549 4.331 50 40 IIGB CC1(C)CC2(CCCCC2)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cccc1c32 14162358 DYPWNFLFWCPCDR-MHZLTWQESA-N 443.547 4.386 50 40 IIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 20210983 IMHPVGMNTFQUJE-UHFFFAOYSA-N 447.523 4.180 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)cc1 408880784 KVSUYOQEFGRMDI-NBVRZTHBSA-N 436.464 4.448 50 40 IIGB CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1 409012280 QATCPYABTIEPED-WSDLNYQXSA-N 444.272 4.493 50 40 IIGB CC[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409236723 GWXHAIKOAXZPBG-JFVYAULHSA-N 437.309 4.467 50 40 IIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccccc2Br)o1 1097124 BEHRTNNWZZTLHX-SSDVNMTOSA-N 427.254 4.480 50 40 IIGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1n[nH]c(N)c1C#N 9010476 RBZPMPAYRJFRNO-ONNFQVAWSA-N 449.106 4.018 50 40 IIGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1 20081115 IAFFYGUXUOCODX-DIBXZPPDSA-N 434.971 4.151 50 40 IIGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(I)cc1 20615079 FHIJCGWHGITFTP-CIAFOILYSA-N 430.245 4.304 50 40 IIGB COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408565890 CFDGQGDGJFJWGN-SDQBBNPISA-N 430.233 4.080 50 40 IIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2Nc2ccccc2C)cc1 408706964 FXRFYUKJCLWVMH-WGOQTCKBSA-N 430.508 4.398 50 40 IIGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)NC1CCCC1 409189456 GVFQVRZYPPFDMQ-WJDWOHSUSA-N 441.890 4.462 50 40 IIGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Br 409309943 OHPOYYFCJYZZLN-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)sc(C)c1C 1453449 SIVMXUQGWQYLLX-NTUHNPAUSA-N 449.326 4.468 50 40 IIGB CC(=O)Oc1ccc2c(c1)C(=O)[C@@H](Br)[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 4900301 FIDNPUKFOJNBJX-ZPZZVDDLSA-N 449.341 4.413 50 40 IIGB O=C(CCCCl)/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21 102942944 PWXVZAMGWBEEQH-FXBPSFAMSA-N 439.684 4.039 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1I 408540977 AIPNFPYWYDJDEO-YBEGLDIGSA-N 429.213 4.066 50 40 IIGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408568571 KMDWLGCWYBPNSC-SDQBBNPISA-N 430.233 4.080 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c1 408747225 KRTIRUHUSRTCSW-UCQKPKSFSA-N 427.504 4.494 50 40 IIGB Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1cccc(Br)c1 1085586 YWZAZJAIRCVHDS-UHFFFAOYSA-N 434.677 4.141 50 40 IIGB Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21 2236409 AOJBQBAJNBCNEA-ANEHGGCBSA-N 434.499 4.297 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1F 2322984 RMCKVEBMNBMUHK-QGZVFWFLSA-N 443.272 4.370 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OCC 8829967 UAGUEUDMZQXUQE-LPYMAVHISA-N 431.514 4.166 50 40 IIGB CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3C2)cc1 9693133 PJJHUKRNUFHUSP-GOSISDBHSA-N 437.496 4.222 50 40 IIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC 13058115 USCWVTOTLUTMNG-RIYZIHGNSA-N 445.269 4.100 50 40 IIGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br 33611702 FMPSOMWQGGBGOS-NVNXTCNLSA-N 429.270 4.480 50 40 IIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)c3ccccc32)c1 408540786 BTTMFJGWIGXMCL-MZJWZYIUSA-N 429.451 4.379 50 40 IIGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408724500 APBDGKFFBOEICA-QPEQYQDCSA-N 446.257 4.310 50 40 IIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 408762123 CUSPOKWAUHMXDO-SAPNQHFASA-N 443.415 4.368 50 40 IIGB CCOc1cc(C(=O)NNC(=S)Nc2cccc(C)c2C)cc(OCC)c1OCC 1410858 ANMNQQGIDHPPPK-UHFFFAOYSA-N 431.558 4.131 50 40 IIGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1OC 2223553 IBKSGDPPYDTCPZ-HNNXBMFYSA-N 425.485 4.062 50 40 IIGB N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c(C(=O)N3CCCCCC3)cc([N+](=O)[O-])cc21 3137974 KHKVGQQOYVMRJE-UHFFFAOYSA-N 443.419 4.349 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc2c(c1)OCO2 19632375 UBRIAXBIIARYPH-BHGWPJFGSA-N 425.872 4.005 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC 28217610 YTTJULZXRBOVDG-AFUMVMLFSA-N 425.916 4.458 50 40 IIGB COc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC 33471313 WETOIMCJFRRYRM-XGICHPGQSA-N 443.264 4.257 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59678250 VTQQLGPSIZWRPA-DHRITJCHSA-N 438.915 4.276 50 40 IIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I 408740330 BBZXWAOFBCARDI-PTNGSMBKSA-N 430.245 4.402 50 40 IIGB COc1cc(Br)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1O 408815973 KAAYMBDYWWZDET-ZVHZXABRSA-N 439.309 4.446 50 40 IIGB COc1ccc(CC(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409376516 BPWRALUCWOSYMJ-YUMHPJSZSA-N 445.519 4.022 50 40 IIGB C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2427883 IKUJYAQLOLZRGD-SMVKWFHNSA-N 435.524 4.089 50 40 IIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 9159787 FUUNAARHLZMASR-HMMYKYKNSA-N 436.471 4.019 50 40 IIGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(Cl)c4)CC(=O)N32)cc1 12275765 ASBJIUNFQBPUFX-AVRDEDQJSA-N 426.925 4.382 50 40 IIGB Cc1cccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)c1 20060331 WIULOLAMZFCBGG-WGOQTCKBSA-N 445.544 4.218 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)n1 28217118 UCCYNCKZCXUKIG-FOKLQQMPSA-N 427.961 4.397 50 40 IIGB N#CC(C#N)=C(NC1CCCCC1)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)C1(C#N)C#N 78547387 NGYMERRUOQOCII-SIKLNZKXSA-N 445.324 4.313 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I 408791770 CDPXRAYVBZRHLA-OQLLNIDSSA-N 432.261 4.462 50 40 IIGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C 408936728 IMDMYADIXDZHJQ-BRJLIKDPSA-N 426.879 4.284 50 40 IIGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c1 409376733 AOQPAHMTOHUYCN-NDENLUEZSA-N 429.476 4.440 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1cccc(F)c1 658094 OKPCYHIPDXCPGW-VULFUBBASA-N 436.439 4.134 50 40 IIGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc3c2CC[C@H](C(C)(C)C)C3)[C@H](C(=O)O)C1 4489228 XPOOSJNLSWFSSY-USXIJHARSA-N 432.586 4.107 50 40 IIGB O=C(CSc1ccc(/C=N/NC(=O)c2ccncc2)o1)Nc1ccc2ccccc2c1 22000112 ZGSLRBYBXLLQAA-AFUMVMLFSA-N 430.489 4.323 50 40 IIGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 28215697 MRNBHVYAQGWAOB-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB CCOc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br 408764963 ULWOONIZHTUDSX-VXLYETTFSA-N 426.108 4.374 50 40 IIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 409332803 MSXFLLPOABFYNW-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB COc1ccc(O)c(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 1439203 HVKWFQKLJZBTDW-LSHDLFTRSA-N 435.318 4.124 50 40 IIGB NNC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 1470810 FXOYOUJHDNVDSW-NRFANRHFSA-N 425.319 4.467 50 40 IIGB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2sc3cccc(Cl)c3c2Cl)C1 2801829 XKEWDAHNDGQHFJ-WDEREUQCSA-N 441.336 4.416 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)cc1C 28216817 SDHGXAGNDCUESM-OGLMXYFKSA-N 444.579 4.307 50 40 IIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCCCC1 32751920 QODKIOPFCDXYGR-XMHGGMMESA-N 430.508 4.417 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl 409230747 GARFFLPAECYTID-YVLHZVERSA-N 447.318 4.201 50 40 IIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(COc2ccccc2Br)o1 648631 BOTVDIPVAZNECE-IBGZPJMESA-N 441.281 4.436 50 40 IIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)sc(C)c1C 1453447 YJEBSCUAANSUJK-WUXMJOGZSA-N 435.299 4.165 50 40 IIGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 9345077 WREUWRZLFFBPRE-FMIVXFBMSA-N 430.247 4.264 50 40 IIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1 12275955 RCUULEUHCSTVDK-HYBUGGRVSA-N 436.533 4.126 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)o2)cc1 13345136 YVVCJYMDOKSLKX-GHRIWEEISA-N 430.416 4.367 50 40 IIGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1 27527998 GIUNLFUBZUSFMT-MTDXEUNCSA-N 443.547 4.170 50 40 IIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 409192800 BJQIMTJZNUBKBY-WSDLNYQXSA-N 435.705 4.277 50 40 IIGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 657719 QMCZBPQNAXKTBX-AFUMVMLFSA-N 438.867 4.097 50 40 IIGB C[C@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1cccc2ccccc12 2748162 CNJRAEZGTWFVLT-KOUDTOEKSA-N 443.288 4.395 50 40 IIGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 3232103 GNCZBIRCTFQIOF-CPNJWEJPSA-N 442.427 4.158 50 40 IIGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CO2 17179972 MKYCWMJPNVJJQQ-WUKOTQDVSA-N 449.463 4.442 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)cc1 33557047 FAUARXFFLJCJNB-QQXSKIMKSA-N 432.476 4.385 50 40 IIGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccccc1Cl 36265345 IYHZSGAJYFJJSC-WSVATBPTSA-N 432.499 4.335 50 40 IIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cccn1-c1cccc(C(=O)O)c1 96466255 XTKIVJTVLVKVNG-PKAZHMFMSA-N 439.471 4.372 50 40 IIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OC)c1 136843149 VUTCCOWXMLRZKX-RIYZIHGNSA-N 431.286 4.329 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC 408756988 YWRHBTVORJSJHJ-NTEUORMPSA-N 448.260 4.244 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)OC 408790159 UKXXNSGVQXHHOH-RIYZIHGNSA-N 449.290 4.490 50 40 IIGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 408984118 LXKCDRQBRKCCJX-LICLKQGHSA-N 429.314 4.470 50 40 IIGB O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 409001128 HBQSBDWBFAPBPZ-JOCHJYFZSA-N 429.476 4.184 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccs2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4132811 QMVHCQXZTKIQFT-RGVLZGJSSA-N 442.409 4.129 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)c2C)cc1 33530918 FTLVFRKPWATIKC-CVKSISIWSA-N 449.507 4.052 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 58911761 KRMQRTUEOLFLJJ-LGJNPRDNSA-N 443.334 4.167 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)c1 108252283 JJWUCDKTNHFKMZ-WSDLNYQXSA-N 426.270 4.431 50 40 IIGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCN(c2ccccc2)CC1 408779477 FJJPMSLURSFVLE-MNDPQUGUSA-N 428.448 4.111 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Cl)c1OC 408888441 ZWQGCHLIIOIOTP-NTUHNPAUSA-N 431.832 4.210 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)o1 408889490 HIDKISJJRQGYHK-SSDVNMTOSA-N 429.816 4.046 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408980444 QZPIBIXIYMPCGD-SDGJFRJFSA-N 429.520 4.487 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccn(C)n2)ccc1COc1ccc(Cl)c(Cl)c1 1086947 NOMZDIJUYGJBHK-FOKLQQMPSA-N 433.295 4.078 50 40 IIGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(O)cc3O)ccc21 9012696 YMHCDYMHPAEHQS-JFLMPSFJSA-N 444.491 4.360 50 40 IIGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1 14252767 YUCULIAIFRMBJD-ZNXRZULTSA-N 448.654 4.123 50 40 IIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc(Br)c1O 408727069 XBMVYPVEWWJMIO-ZZQQNYHXSA-N 430.140 4.194 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409017903 WFZPTPJLVQXTFM-JFLMPSFJSA-N 449.482 4.314 50 40 IIGB COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 705821 AJELWWBGZNUJDL-LJQANCHMSA-N 437.297 4.170 50 40 IIGB COC(=O)c1ccccc1[C@H](Br)[C@@]1(Br)OC(=O)c2ccccc21 3845498 TYEZGMJNGDGVDV-YOEHRIQHSA-N 440.087 4.328 50 40 IIGB biogenic CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1OC 12275357 LVSKWWWYXKDXDP-UUOWRZLLSA-N 436.533 4.046 50 40 IIGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCN1CCCCC1 13800431 PPGFCWKQHYDCPW-VKAVYKQESA-N 428.330 4.218 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2c(Cl)cccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 16956334 IWWIKJGXAXGNEF-MRXNPFEDSA-N 437.843 4.255 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)cc1 28941411 DJPXJRRCQRRDCB-XMHGGMMESA-N 428.444 4.469 50 40 IIGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1c(Cl)cccc1Cl 58883646 OCDJEVLAPXJNRQ-IFRROFPPSA-N 426.101 4.476 50 40 IIGB O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408641857 DEBWYBGVAKKGMS-KSSFIOAISA-N 438.282 4.256 50 40 IIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)c(Br)c1 409124772 LOHZSIOTKKMQCJ-GFCCVEGCSA-N 446.326 4.061 50 40 IIGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 691140 KFOIWHLGECEKQJ-HRAATJIYSA-N 442.910 4.157 50 40 IIGB COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Br)s2)C(C#N)=C(N)O3)cc1 8382636 ALELGYXHMSIJQD-AWEZNQCLSA-N 429.299 4.127 50 40 IIGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567611 NEVRATXNHUGBOA-AREMUKBSSA-N 442.494 4.041 50 40 IIGB CCc1c(C)sc(NC(=S)NNC(=O)c2oc3ccccc3c2C)c1C(=O)OC 17097597 UCBGPDFKOIYIOZ-UHFFFAOYSA-N 431.539 4.092 50 40 IIGB CCOc1cc(Br)cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c1O 32581098 FONFBBGPKYTCFU-ZVBGSRNCSA-N 441.709 4.044 50 40 IIGB Cc1ccccc1OCCN1C(N)=C(C#N)[C@]2(C(=O)Nc3ccccc32)C2=C1CCCC2 226760577 GONHUQNLOHKNGU-AREMUKBSSA-N 426.520 4.102 50 40 IIGB O=C(N/N=C(\COc1ccccc1)c1ccc(Br)cc1)c1ccc(O)cc1 408734318 MREXUYXSBKYFHT-BSYVCWPDSA-N 425.282 4.368 50 40 IIGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408809441 OABSFXUAPPVNNL-MHWRWJLKSA-N 428.872 4.470 50 40 IIGB Cc1c(Br)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1Br 409347914 OTJNXSHJIBSLDH-FBCYGCLPSA-N 440.091 4.013 50 40 IIGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c1 1827842 DKDXTYCGMFFZFJ-RVDMUPIBSA-N 437.452 4.499 50 40 IIGB COc1cc(/C=C(\C#N)c2nc(CSc3nnnn3-c3ccccc3)cs2)ccc1O 9379919 XPZLNSCFBBCZNV-OQLLNIDSSA-N 448.533 4.189 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1 58913016 JNFAVOZJACBCIJ-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 103071515 UUPGMLSMMQJYPY-CFIGMIIDSA-N 425.573 4.295 50 40 IIGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)Nc1c(C)cccc1C 408708595 QZNNGOBWUVLTOX-VULFUBBASA-N 444.491 4.142 50 40 IIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br 408742756 BYHCJFNMZRLJLD-YBEGLDIGSA-N 443.297 4.245 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I 408745678 UXVSFEMJOPUMAG-WJDWOHSUSA-N 442.256 4.157 50 40 IIGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2)c1 1107075 LLAQKHUFYSPLOU-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB CSc1nc(NNC(=O)c2ccccc2Br)c2c3c(sc2n1)CCC3 2222560 HQKHFFFJNFEFEG-UHFFFAOYSA-N 435.372 4.421 50 40 IIGB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3nc4ccc(SC#N)cc4s3)C2=O)cc1C 8442877 SVKNVUPLHSJCSJ-DHDCSXOGSA-N 449.517 4.065 50 40 IIGB N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9096730 BPSLYEPZXQXNCG-NTCAYCPXSA-N 447.919 4.199 50 40 IIGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 20086071 FVKHLAYZWIEGGX-HSZRJFAPSA-N 435.483 4.336 50 40 IIGB COc1ccc(/C=C\C(=O)Oc2ccc(/C=N\NC(=O)CNc3cccc(C)c3)cc2)cc1 33934612 LIUSIMXPVOJMNO-OMDGVQDLSA-N 443.503 4.185 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl 58913044 WFKDRCMWCNMBKH-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB Cc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)c(C)c1 59383004 NREAOBDMGYVLMB-UHFFFAOYSA-N 427.570 4.325 50 40 IIGB CN(C)c1ccc(/C=C/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408567975 HIGOGHSFTFDOKE-OEFJELFNSA-N 427.595 4.425 50 40 IIGB COc1cccc(C(=O)N/N=C(\c2ccccc2F)c2c(C)nn(-c3ccccc3)c2O)c1 2068474 XNVJXWKOXOFVLN-SLEBQGDGSA-N 444.466 4.216 50 40 IIGB Cc1ccc2c(CC(=O)NNC(=O)c3cc(-c4ccccn4)nc4ccccc34)coc2c1 9130921 UTDDHBNXIOZRBN-UHFFFAOYSA-N 436.471 4.355 50 40 IIGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1C 408854804 BPODNCZMRICPPP-MZJWZYIUSA-N 431.492 4.143 50 40 IIGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 408890752 YPTYAEVLSLLNLS-XMHGGMMESA-N 442.427 4.158 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c2C)cc1Cl 408964620 WZPIMDMNOQJGSV-DHRITJCHSA-N 438.915 4.153 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1 409326928 OVPNAJDUUYVWPR-OAHLLOKOSA-N 445.903 4.198 50 40 IIGB CCCc1n[nH]c2c1[C@H](c1ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2 17094614 KDZHXPITWPNERN-KRWDZBQOSA-N 425.832 4.402 50 40 IIGB C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(Cl)cc1 28218288 QSTOZKCQCUJMNR-JVWAILMASA-N 430.895 4.252 50 40 IIGB O=C(CCc1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59159735 PBKZZMSIRBZNGK-HZHRSRAPSA-N 434.408 4.378 50 40 IIGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N(C)C)cc2I)c1 59334181 OETUKODINNAPPS-YVLHZVERSA-N 446.288 4.174 50 40 IIGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1)Nc1ccc(F)cc1 107604788 YPRYKOPBLUFJQU-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB C/C(=N\NC(=O)CSCCc1ccccc1)c1ccc(I)cc1 408727563 QMMBVEFRVHGKMC-XSFVSMFZSA-N 438.334 4.107 50 40 IIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Br)cc1 409221285 NYZYAFUTGYWDKE-QINSGFPZSA-N 436.265 4.484 50 40 IIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccncc3)n2C2CCCCC2)cc1 949935 VYSTZDCOMDNRNO-MFKUBSTISA-N 434.569 4.396 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 3269424 BOOULRQSZJQOAV-MHWRWJLKSA-N 437.452 4.047 50 40 IIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)ccc1OCc1ccc(C)cc1 18116237 PSQBTBNULPOYRT-HSZRJFAPSA-N 443.503 4.188 50 40 IIGB CCCCCCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20219026 JOFYXSRBLWRRHM-QPPBQGQZSA-N 445.567 4.009 50 40 IIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(OC)c2)cc1 20764665 TYFXCJORCCAXDY-JVWAILMASA-N 429.476 4.308 50 40 IIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(I)o1 98035304 WYVCDQPMRKKYMB-MTJSOVHGSA-N 446.244 4.080 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(F)cc1 107699856 YARZPJHCRSEYHY-VULFUBBASA-N 435.455 4.136 50 40 IIGB COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OC 408743818 VNDPZCDDLAEAJI-WLRTZDKTSA-N 437.297 4.475 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1cccs1 408861477 BDZNILXTDRPEMT-PXLXIMEGSA-N 447.969 4.137 50 40 IIGB CCN1C(=O)/C(=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2cc(Br)ccc21 409195862 WODQVJIPAHCXNJ-XLNRJJMWSA-N 446.688 4.349 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)cc1)C(=O)NCc1ccccc1 409376361 AETPHFSRHKSXHE-XSFVSMFZSA-N 429.451 4.067 50 40 IIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1C 10021519 LMWWNMDVBOOOGU-JZQBQCRLSA-N 433.508 4.263 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 20060541 XDOKNIDLQNCVLU-LKUDQCMESA-N 435.549 4.039 50 40 IIGB COc1cc(SC#N)ccc1NC(=O)N/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1C 101148888 WKFPMVNUCCBSBM-MHWRWJLKSA-N 441.900 4.350 50 40 IIGB CCCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1 408706555 BLLZDLNUCWQUQT-ZVHZXABRSA-N 445.361 4.258 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409231499 KUJFXKVLKHIQDA-YQYFLZKSSA-N 442.899 4.075 50 40 IIGB N#C/C(=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 872826 QUXARGDTGNGRBZ-RRXSNJIPSA-N 433.483 4.062 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1Br 1295709 UTCBKQMXLXCYQH-IBGZPJMESA-N 437.297 4.170 50 40 IIGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c1C 9261676 XLPKGSLZEKDCSX-XMHGGMMESA-N 429.476 4.435 50 40 IIGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1O)c1ccc(Cl)cc1 10059628 ZDMUFSJTENTNDA-FXBPXSCXSA-N 448.498 4.040 50 40 IIGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1C 409007892 RKQXDFMRUMNOBS-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1OCc1ccccc1Cl 409366884 ZYBBOPDGNWVNBG-YSMPRRRNSA-N 436.895 4.383 50 40 IIGB COc1cc(Br)c(O)c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1 409391382 JAWORFPFJVCXRK-ZVHZXABRSA-N 439.309 4.446 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1OC 704605 DNXCHYYTNCNDNY-AFUMVMLFSA-N 437.883 4.373 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)o1 1434900 QVQKGRXNBTZASV-WSDLNYQXSA-N 426.270 4.367 50 40 IIGB COc1cc([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc(OC)c1OC 20238251 AYFXAZTVTHTTJV-QGZVFWFLSA-N 443.569 4.060 50 40 IIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 59676698 ILGLJOVKLPWKJC-KNTRCKAVSA-N 442.475 4.419 50 40 IIGB NNC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226341505 KZDWJNBEWFOTMT-DAFODLJHSA-N 434.092 4.477 50 40 IIGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1cccc(C(=O)O)c1 408544560 UTVKFVWSRXKDLG-YBEGLDIGSA-N 430.376 4.026 50 40 IIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1OC 408756021 SVEWIHWBMGAUBV-UVTDQMKNSA-N 448.260 4.244 50 40 IIGB O=C(COc1ccccc1Cl)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 409185297 WCZYWZKURDGPNC-JJFYIABZSA-N 426.885 4.490 50 40 IIGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 691138 KFOIWHLGECEKQJ-IERDGZPVSA-N 442.910 4.157 50 40 IIGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 6195018 AZJGSANPDAJKLX-ZEQRLZLVSA-N 449.514 4.235 50 40 IIGB CSc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc4[nH]ccc4c3)C3=C2CCCC3=O)s1 31818143 MMHZSMRXEBAVLF-QGZVFWFLSA-N 434.550 4.046 50 40 IIGB O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220867704 NVDPUBYDIJHSBF-JKSUJKDBSA-N 433.603 4.022 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408737837 YEAFOYURMOAPET-ZVHZXABRSA-N 437.839 4.160 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1[N+](=O)[O-] 408995065 IKQPUWCADWJJKR-WYMPLXKRSA-N 440.887 4.493 50 40 IIGB CCc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 409360257 DLKDSCDEHCKFEL-KEBDBYFISA-N 440.135 4.172 50 40 IIGB N#C/C(C(=O)NCc1ccccc1)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 409386830 GRTBJDMBTSAFDI-BSYVCWPDSA-N 427.891 4.480 50 40 IIGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)cc2)cc1 3112766 MQXKDZGNDOILJA-HZVRNWRTSA-N 443.503 4.102 50 40 IIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 9260315 JICQUJLTGAJUAB-SSDVNMTOSA-N 437.502 4.497 50 40 IIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cc(Cl)ccc2C)C2=C1C(=O)CCC2 13567738 VOVMASQGZMTUKQ-VWLOTQADSA-N 444.922 4.368 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)o1 16214767 FGRODGICVYXBQL-VULFUBBASA-N 444.443 4.483 50 40 IIGB C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 58882941 WVYJHQFZVRYAPG-LNIIIOKPSA-N 435.911 4.360 50 40 IIGB CC1(C)C(=O)O[C@@H]([C@@H](Br)[C@H](Br)c2ccccc2)C(C)(C)C1=O 97957089 FSEOTGDTOQKUGQ-AGIUHOORSA-N 432.152 4.433 50 40 IIGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1)c1ccccc1 408787554 BTWVJSLDOIDRBR-QZMYASAMSA-N 425.488 4.488 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408789370 PHAQXRKLSFMLFO-AWNIVKPZSA-N 435.263 4.099 50 40 IIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1 408891356 PDMOGMRPXWIDSN-QGOAFFKASA-N 443.415 4.368 50 40 IIGB COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 409004061 AFJNTTPUYQLSKH-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB CCOC(=O)Cn1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)c2ccccc21 409188567 DMAITKXJXWRNEX-MXAYSNPKSA-N 433.464 4.113 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1 726185 IUFMQRFCNVKEDX-FOKLQQMPSA-N 427.961 4.397 50 40 IIGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(N)=O)cc1 934869 JZGWPDQIKDSCOK-LCJWNIEWSA-N 432.332 4.213 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 8721814 OYTOCYQRPAYKHV-NHDPSOOVSA-N 444.241 4.390 50 40 IIGB O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8842895 SBOLJNNEJVHULP-ZNLRHDTNSA-N 437.727 4.466 50 40 IIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)CC1 20214997 ZYTFXZCTSRCOTG-UHFFFAOYSA-N 429.586 4.314 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c(C)c1 28216814 JUHZZXBGSVMVSL-OGLMXYFKSA-N 444.579 4.307 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)SCCS3)c2C)cc1 408586914 DAVDFNGPXMKSGT-OEAKJJBVSA-N 445.610 4.307 50 40 IIGB COc1cc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)ccc1I 408747925 VUHHVLBHPCNZDG-CIAFOILYSA-N 436.293 4.361 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1OC 408847193 UDNQIWUPIXSXQX-WGICJODHSA-N 429.476 4.120 50 40 IIGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1)c1ccccc1 409123148 FDTHWDSLLCFMKC-FGAYPWGZSA-N 429.520 4.026 50 40 IIGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1Br 409317499 UOUFYYUKRKDUIC-UCQKPKSFSA-N 445.313 4.351 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1079144 HNTQFSZKCMHZOG-KRWDZBQOSA-N 425.828 4.030 50 40 IIGB COc1ccc(Br)cc1/C=N\NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1 8721729 XJJGFDDZRXHBFH-BPNSQTJDSA-N 447.329 4.045 50 40 IIGB C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Oc1ccc([N+](=O)[O-])cc1 9482766 XUJMEDDEDMTWDQ-HNNXBMFYSA-N 435.480 4.464 50 40 IIGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cc(Br)ccc1Cl 9910613 XJGUJWYCBLPNGJ-UHFFFAOYSA-N 434.142 4.309 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(C)=O 16157791 SSGGPSAFBKWVAM-NVNXTCNLSA-N 429.270 4.237 50 40 IIGB O=C(N/N=C/c1ccccc1O)c1ccc(OCc2ccc(Br)cc2)cc1 59499239 HCGFYJPJTGYWIF-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1 59535805 ZRBLANXSOVEFMU-OBGWFSINSA-N 434.473 4.009 50 40 IIGB COC(=O)/C=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@]12C 118917975 VGARIQOMXRAOII-GDVIRVAQSA-N 435.358 4.170 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)cc2c1 409186731 HDIOTVGWBGKKHA-VYYCAZPPSA-N 444.491 4.102 50 40 IIGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)sc(C)c1C 409206062 UXJQEUHNKSQGSG-VCHYOVAHSA-N 437.521 4.375 50 40 IIGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1 409226164 SMRBEEHAXFVXMZ-JNBLOYBISA-N 439.811 4.224 50 40 IIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cc2c(C)cc(C)cc2nc1Cl 898825 NDGJWRATQAUZMH-QGZVFWFLSA-N 432.307 4.369 50 40 IIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3c(C)nn(-c4ccc(F)cc4)c3Cl)ccc21 2624612 HMSMMHCORYTQNN-BRJLIKDPSA-N 438.894 4.415 50 40 IIGB Cc1cccc(NC(=O)CN2C(=O)/C(=C(/C#N)c3nc4ccccc4[nH]3)c3ccccc32)c1 9090420 IMQMGDPNOXWGQA-CLCOLTQESA-N 433.471 4.291 50 40 IIGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1OC 9693105 OPFLRQXXYMVAQX-QGZVFWFLSA-N 425.485 4.062 50 40 IIGB CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c2ccccc21 13567616 FYLLGQZITCRMSK-SANMLTNESA-N 442.494 4.041 50 40 IIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2Br)o1 20760219 VOWIYEAYNKKBIY-WSDLNYQXSA-N 427.254 4.260 50 40 IIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 32581117 HNVNJYNLGOJRSN-XBSHTGLCSA-N 446.938 4.327 50 40 IIGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3)n2)cc1 408728037 ZILLFZKDPRYRHH-WPWMEQJKSA-N 438.487 4.398 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCC(=O)OC 408796750 PUHUZRFDIDSTHS-LICLKQGHSA-N 442.899 4.399 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1O 1068929 WRSTYHHIBXUSAR-SSDVNMTOSA-N 435.318 4.206 50 40 IIGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)C12CC3C[C@H](CC[C@H](C3)C1)C2 1510089 WILUWTLJUAVETM-IVJXHWSKSA-N 436.306 4.120 50 40 IIGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 3081779 ILBYLRMFNVXUMP-KIBLKLHPSA-N 434.254 4.273 50 40 IIGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 9216888 LCDDRRZMBXNGQY-UCQKPKSFSA-N 443.960 4.260 50 40 IIGB COc1ccc(/N=C\c2ccc(O)c3c2OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 12420340 LUEAAPNNQZNVNX-DGBIYHDASA-N 442.431 4.278 50 40 IIGB COc1ccc(/C(C)=N\NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 13142650 XOTJFOVGASJVBO-MSXFZWOLSA-N 438.311 4.270 50 40 IIGB CC(C)(C)C(=O)[C@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN21 13777055 PKQDFEFGKHIRFZ-PWRODBHTSA-N 426.472 4.074 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)N3CN(Cc4ccc(OC)cc4)CSC3=C2C#N)cc1 20348020 QIQRURLBWAJNAW-NRFANRHFSA-N 435.549 4.309 50 40 IIGB Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)cc1 35110138 QVBGGRQXRHQPIO-MNTXUITRSA-N 432.332 4.213 50 40 IIGB CCCCN1C(=O)[C@]2(C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)c2ccccc21 49947104 BPWRAPXDZHDDOD-DEOSSOPVSA-N 425.517 4.126 50 40 IIGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cc2ccccc2cc1OC 108060701 JRXPYYCBSMQWAG-WGOQTCKBSA-N 433.508 4.230 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2OC)cc1 408791806 CTSFIWOWEFVRME-NTUHNPAUSA-N 449.688 4.443 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCC#N 408819394 RTMBWIJOWRKZGK-ZROIWOOFSA-N 444.260 4.435 50 40 IIGB COc1ccc(CSCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1 408894497 QSTLDXSWVYTTFV-FSJBWODESA-N 428.945 4.226 50 40 IIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(NC(=O)c2ccccc2)c1C 409211096 MUYQSZPTDRADCA-JAIQZWGSSA-N 434.503 4.497 50 40 IIGB O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 409211367 NABVNKRGLNWALL-XYGWBWBKSA-N 428.448 4.392 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 409238319 MUTIYCBHTDEBBT-UNOMPAQXSA-N 448.910 4.428 50 40 IIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)o2)c1 409366624 XFNRVVXNFZSTNV-DHRITJCHSA-N 425.872 4.339 50 40 IIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cc2cc(C)cc(C)c2nc1Cl 786873 ZTRMPNZJTPYCAN-MRXNPFEDSA-N 432.307 4.369 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 30809221 OBBCTQBQGHWNGU-FMCGGJTJSA-N 426.860 4.185 50 40 IIGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)CCn1c2ccccc2c2ccccc21 33282865 UMOIYGRCTTVRPL-QQXSKIMKSA-N 431.492 4.361 50 40 IIGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1Cl 59417830 FQGJJSLWTFFPHW-CNHKJKLMSA-N 432.499 4.335 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 59433333 WPLLZGWBOINEAV-NSKAYECMSA-N 431.370 4.256 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408799371 YVUPSNGLPDJGIO-OQLLNIDSSA-N 429.259 4.338 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc([N+](=O)[O-])c1O 408849972 BXUWXVLKVUDUAT-KPKJPENVSA-N 432.230 4.007 50 40 IIGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21 409393695 ZCIVNFUVEQHQGU-RWPZCVJISA-N 442.519 4.228 50 40 IIGB C[C@@H](C(=O)N/N=C/c1cccc2ccccc12)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1783829 XZPKAZQRSNNOOQ-XHGDVQFGSA-N 444.560 4.447 50 40 IIGB CC/C(=N\NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 17094725 XUUYXFKSWBLCMS-DWTJURIWSA-N 426.292 4.117 50 40 IIGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1OC 35251530 HLGPHEKPATWWRF-PSHHWHLWSA-N 433.936 4.121 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 58900770 GLJAGFJJJLRJAY-AFUMVMLFSA-N 437.883 4.373 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1OCc1ccc(F)cc1 408609527 KCESJPCQKVZYLK-MZJWZYIUSA-N 449.482 4.119 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cc(C)cc(C)c2)cc1 408776837 ZUEWRMTWTLXDSK-UHFFFAOYSA-N 427.570 4.243 50 40 IIGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1 409004496 XIWJQGFMPBJVQK-OFJVMFQISA-N 426.476 4.061 50 40 IIGB COc1ccccc1NC(=O)NNC(=O)CSc1cc(C)c(Br)cc1C 3342872 OJPQUQDKJJWAGI-UHFFFAOYSA-N 438.347 4.020 50 40 IIGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 8717760 FVDQVZVTOWVTQX-FBKQIBBUSA-N 430.888 4.468 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 8812121 PLZUDCUFTANCAG-AFUMVMLFSA-N 437.427 4.476 50 40 IIGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCCc4ccccc4)cc3)n[nH]2)cc1 9324645 CPENTPXGGQQDAT-OVVQPSECSA-N 440.503 4.471 50 40 IIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(I)cc2)o1 10118421 WFSMMNNDQGAOKJ-WSDLNYQXSA-N 441.228 4.187 50 40 IIGB Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C\c4cccc(O)c4)[nH]n3)cc2)cc1 30750187 KVKWTMVKSLPEDL-YSMPRRRNSA-N 426.476 4.434 50 40 IIGB CN1/C(=C(/C#N)C2=NS(=O)(=O)c3ccccc32)N(Cc2ccccc2)c2ccccc21 33420834 JFLDHFFJGLFKTJ-LYBHJNIJSA-N 426.501 4.070 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1Cl 59101626 UOTZKEVNCMBBDQ-DHRITJCHSA-N 425.847 4.147 50 40 IIGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccc(OC)cc1OC 408879302 DVLQLFKZSLHJMI-CXUHLZMHSA-N 445.313 4.088 50 40 IIGB CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCC#N 408905366 XYCZWXCVTZETCG-UUYOSTAYSA-N 431.290 4.214 50 40 IIGB CCCNC(=O)NN(C(=O)Nc1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 3768113 ARKBUBNWRRPDHD-UHFFFAOYSA-N 425.514 4.481 50 40 IIGB Nc1nc(-c2ccccc2)[nH]c(=O)c1/N=C/c1ccc(N(CCCl)CCCl)cc1 4826241 AVQXASXZLDNHRI-AFUMVMLFSA-N 430.339 4.054 50 40 IIGB CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100551250 CPRKUDKVUDPLSK-UHFFFAOYSA-N 429.561 4.316 50 40 IIGB NC1=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)CN1Cc1ccccc1 102141277 KPYYUWNXOXVJGJ-UHFFFAOYSA-O 449.514 4.193 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OC(C)C 408967096 PEAIUVYIPKADNT-BHGWPJFGSA-N 448.292 4.410 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1O 409041527 AMHQJLJJUZCDJR-AFUMVMLFSA-N 444.516 5.032 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 409141934 KHPFYQVFXPLWKP-DEOSSOPVSA-N 429.520 4.313 50 40 IIGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC 409322605 KXVRNRUKCLBKAJ-OYKKKHCWSA-N 432.904 4.475 50 40 IIGB COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)Nc3ccccc3OC)c3ccccc32)o1 409389950 CZQMYVUHLSSGAW-MXAYSNPKSA-N 446.463 4.233 50 40 IIGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)c1 1258162 LKXPGAGJODNUCN-FQEVSTJZSA-N 434.521 4.246 50 40 IIGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 57611064 DGZDPKJJXOQROK-SSDVNMTOSA-N 443.257 4.180 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(C(C)C)cc2)cc1 408785529 ZZMTYYZZRUOVEW-BUVRLJJBSA-N 439.537 4.057 50 40 IIGB Cc1cccc(COc2c(Br)cc(/C=N/NC(N)=O)cc2Br)c1 408922208 DZTOCHUJAKSIIV-DNTJNYDQSA-N 441.123 4.101 50 40 IIGB CCCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 19648014 PNOLJADLRUWFRX-UHFFFAOYSA-N 448.596 4.084 50 40 IIGB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC/C(=N\NC(=O)CCC(=O)O)[C@@]4(C)CC[C@@H]32)C1 20310449 LHOJGUMNTSJVCF-FWNVZPQISA-N 446.588 4.298 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1cc(Cl)ccc1Cl 58912566 ZITWLENBJOZGEN-ZMOGYAJESA-N 435.355 4.254 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)ccc1C 59459320 UJAOEUKNEFVCID-FSJBWODESA-N 431.330 4.174 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(C)c1O 110108279 RQNJSQPZNHLHMS-FBCYGCLPSA-N 442.107 4.004 50 40 IIGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1ccccc1C(=O)O 408895501 NBEVLLXNTYXWJU-GZTJUZNOSA-N 430.391 4.289 50 40 IIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl 408962760 UPWZHTDGKLNAPR-LSHDLFTRSA-N 432.219 4.424 50 40 IIGB CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1472128 WVLAIXDKGLRYNE-QFIPXVFZSA-N 430.508 4.476 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 8739306 MHYLKVHDOLALSC-FOKLQQMPSA-N 426.816 4.208 50 40 IIGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(-c2cccs2)nc2ccccc12 9335167 AEBLHWKULNWNTK-FOKLQQMPSA-N 446.444 4.364 50 40 IIGB O=C(CSc1nc2ccccc2s1)NNC(=O)c1ccc(COc2ccccc2)cc1 13141439 FJFGDMRMCIKTIE-UHFFFAOYSA-N 449.557 4.429 50 40 IIGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 20344751 ZRGDENLOXRWXJS-NKFKGCMQSA-N 440.547 4.359 50 40 IIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(OC)cc2OC)c1C 33530016 TWTIRPUUIGPGNU-CVKSISIWSA-N 449.507 4.052 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccc(NC(C)=O)c3)o2)ccc1Cl 33742175 WQCYWLLYJPADAR-WYMPLXKRSA-N 439.855 4.109 50 40 IIGB O=C(COc1ccc(Br)cc1)N/N=C/c1cccn1-c1ccc(Cl)cc1 59678467 NKFKRBQPIGCIFM-WSDLNYQXSA-N 432.705 4.422 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1 408814547 FZCVTUGNUQHTLP-STZFKDTASA-N 443.459 4.406 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl 408852039 QHSHMAQFNWDEAG-RMORIDSASA-N 435.263 4.445 50 40 IIGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccc(Cl)cc1 408857910 NNYGSBSPYJZHSM-XFXZXTDPSA-N 436.693 4.078 50 40 IIGB Cc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1Cl 4156907 JRLXFAQTVNDNFX-NNYUYHANSA-N 435.543 4.075 50 40 IIGB Cc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccccc1 5205524 HLEVVDAEZUBCBL-UHFFFAOYSA-N 427.570 4.407 50 40 IIGB Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(C)n1CC(F)(F)F 9469025 NKSFYHLYJOSPGI-LICLKQGHSA-N 433.430 4.066 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)CSc2cc(C)c(Br)cc2C)c(O)c1 12563873 QFBHOCYJYJUVJQ-FYJGNVAPSA-N 437.359 4.413 50 40 IIGB Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1NC(=O)c1ccco1 12582917 BZTLRMZPMHOJDM-UHFFFAOYSA-N 432.263 4.222 50 40 IIGB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1ccoc1C 17096540 GVWXZHSLBAPVQD-UHFFFAOYSA-N 429.523 4.125 50 40 IIGB CCCOc1ccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27298038 FCMWICPKZIIPRO-URXFXBBRSA-N 445.567 4.008 50 40 IIGB Cc1ccsc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 58918303 RNTYZIDOYBTRKM-LPYMAVHISA-N 447.969 4.056 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 223151735 AHCCWQOLGGUENJ-MXAYSNPKSA-N 438.915 4.153 50 40 IIGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 408610234 MWJQWOFUCFJBSR-OGLMXYFKSA-N 429.520 4.156 50 40 IIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)c1 408692165 FZSQNVPUXJTJFZ-LGJNPRDNSA-N 438.915 4.096 50 40 IIGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N3C2)cc1 2433072 OYTAXOOIQGCHSZ-IBGZPJMESA-N 435.549 4.486 50 40 IIGB CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 3259952 HMKICDIDQXUNIO-UHFFFAOYSA-N 427.504 4.363 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CCCC3)ccc1OC(=O)c1cccnc1 9665771 BFCDQNTZVRJMCH-DHRITJCHSA-N 435.505 4.014 50 40 IIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(OC(F)F)c(OC)c2)c1C 12825336 AQAUJDWXMHPQAR-WOJGMQOQSA-N 434.439 4.012 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1 20240452 JROLVWDTUDLJFZ-BYNJWEBRSA-N 440.591 4.467 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 58912616 YSILOZXBPUOOPY-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB Cc1n[nH]c2c1[C@@H](c1cn(CCOc3ccc(F)cc3)c3ccccc13)C(C#N)=C(N)O2 96234496 UWEQZSOVNPVDKV-JOCHJYFZSA-N 429.455 4.109 50 40 IIGB COc1cc(Br)c(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC 408775022 ZUKFEIKYQOTHLI-AFPJDJCSSA-N 431.208 4.249 50 40 IIGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408794209 IHJYWVBAUGMVDO-CXUHLZMHSA-N 443.297 4.163 50 40 IIGB Cc1ccccc1CN(c1ccc(C(=O)NN=C2CCCCCC2)cc1)S(C)(=O)=O 409137511 VODILNROYOAFCD-UHFFFAOYSA-N 427.570 4.401 50 40 IIGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1OC 408802233 XTWZQILTTLJXKA-NTEUORMPSA-N 430.844 4.438 50 40 IIGB N#C/C(C(=O)NC1CCCCC1)=C1/N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 13557624 YUHVWFWMNGGFLY-MRCUWXFGSA-N 432.911 4.214 50 40 IIGB CC(C)(C)c1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1O 409018731 YUGONFUNTCLUDT-CFRMEGHHSA-N 427.501 4.425 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408745682 UYVSGKOMSCDGGS-SXGWCWSVSA-N 428.872 4.145 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)O 409039713 DCZMMRCFZQCUSZ-ZSOIEALJSA-N 434.370 4.113 50 40 IIGB CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(C#N)=C(SC)N[C@@]1(O)c1ccccc1 19816022 KHKYGIMJQVADDJ-XQBPLPMBSA-N 428.941 4.150 50 40 IIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 2736666 SOTOZGCOYKZRGH-KQQBXRMLSA-N 448.866 4.169 50 40 IIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(COc2ccccc2Br)o1 2769566 BOTVDIPVAZNECE-LJQANCHMSA-N 441.281 4.436 50 40 IIGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 3234008 YPHLIIOUWDBJDG-MZJWZYIUSA-N 437.455 4.175 50 40 IIGB CC1(C)[C@@]2(Br)C=C[C@@](C)(O)[C@@]13C[C@@H](Br)[C@@](C)(Cl)C[C@@H]3O2 5431460 WNGMEQXERFPHIP-IECGVJIQSA-N 428.592 4.365 50 40 IIGB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NNC(=O)c4ccc(OC)cc4)c23)CO1 9159571 IHDRZADZPNCTDY-OAQYLSRUSA-N 444.582 4.420 50 40 IIGB N#C/C(=C\c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)NC[C@H]1CCCO1 9262658 PKDZFVHFLOQGHQ-CLMUKVTESA-N 437.499 4.493 50 40 IIGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)COc1ccc2ccccc2c1Br 12039615 UUVIGYNORAAXFR-VUZLNAKASA-N 435.318 4.063 50 40 IIGB CCOc1cc(Cl)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 59333441 FLOHLPBPWQXOPI-AQTBWJFISA-N 425.916 4.003 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 103347906 UUPGMLSMMQJYPY-XTLAXZQKSA-N 425.573 4.295 50 40 IIGB COc1c(O)c(Br)cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] 408731852 NKUYFTCXVBYKKC-IZZDOVSWSA-N 429.230 4.320 50 40 IIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 408789023 HHBMSRVWUIHMSL-SSDVNMTOSA-N 442.368 4.033 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl 408832043 QYIBTSIGWONSLP-DHRITJCHSA-N 438.915 4.153 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2)cc1 408888603 XTAXZTIGRGAMEO-NBVRZTHBSA-N 442.427 4.158 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccccc1 408891621 UBUXBCRFYDNYOL-CPNJWEJPSA-N 442.427 4.158 50 40 IIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 409309025 ADQJVHYRDZWOIC-QQXSKIMKSA-N 434.492 4.445 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2C)c1 409250060 LEBWXOFOGQHBDX-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(F)cc2)c(C)s1 648084 KDSRAWRGZSLILE-FQEVSTJZSA-N 428.485 4.419 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C#N)C3=C2C(=O)CC(C)(C)C3)cc1O 716493 ADHGCZFFRNVGHV-QHCPKHFHSA-N 440.503 4.213 50 40 IIGB O=[P@@](c1ccccc1)(c1ccc(Br)cc1)[C@@H](O)C(Cl)(Cl)Cl 1713538 HTQBYXWXVYEJQC-ASSNKEHSSA-N 428.477 4.452 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c1 9324172 LPQPCXQYPNIBSG-AWNIVKPZSA-N 435.263 4.401 50 40 IIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1O)c1ccc(Br)cc1 72231276 ZQIDODHCWOOISW-YDZHTSKRSA-N 438.281 4.171 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 408755436 NQQKNQZKXHLXHX-XMHGGMMESA-N 448.500 4.317 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 408820430 WBRONIVMNJGXFR-WJDWOHSUSA-N 433.420 4.095 50 40 IIGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 690790 ZGWCCCQTRLXSAJ-KKSFZXQISA-N 442.910 4.157 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccncc1 19826130 SEDZSJFLBQHCLT-NLRVBDNBSA-N 442.548 4.270 50 40 IIGB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(SC#N)c(Cl)c3)C2=O)cc1C 103732603 NBHKDPCURWRDCE-OQLLNIDSSA-N 426.885 4.109 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C/c3cc4c(cc3Br)OCO4)cc2c1 409187141 MRNUALNWSYSLBO-ZVBGSRNCSA-N 431.242 4.087 50 40 IIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC)cc1OC 409315362 VCORQKALVYFKRQ-XKZIYDEJSA-N 433.302 4.185 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)o2)cc1 409364071 MYUZEBHXKFYMHE-DHRITJCHSA-N 425.872 4.339 50 40 IIGB COc1ccccc1NCC(=O)NNC(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12 1638099886 QPPDMCJPWCINJL-UHFFFAOYSA-N 442.519 4.036 50 40 IIGB Cn1cccc1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 15351299 XVZAVPPWMWFGHA-VULFUBBASA-N 429.398 4.268 50 40 IIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)c1C 18210745 REVHPJHEFFSELZ-QNOSVCLUSA-N 432.476 4.353 50 40 IIGB COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1OC 59505971 MPJJJVSQUFTGRC-FSJBWODESA-N 438.311 4.270 50 40 IIGB C[C@H](S[C@@H](C)C(=O)N/N=C/C=C\c1ccccc1)C(=O)N/N=C\C=C/c1ccccc1 104335191 YTYIKAKITSYVIU-TWRYTADVSA-N 434.565 4.127 50 40 IIGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc2ccccc2c1 169615963 WKKXVOBOSZBQMM-RHJCGQNESA-N 449.142 4.122 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1 408604850 IVQPWBHMLOAFKP-IBGZPJMESA-N 433.483 4.209 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c([N+](=O)[O-])c2)c1 408740515 GQYTVGNZGXEVOD-NTUHNPAUSA-N 446.257 4.310 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)c1 408849604 XBPFVWWTHLBDEK-UITAMQMPSA-N 426.064 4.359 50 40 IIGB COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1 409204616 BQJJHUZBDMBTKE-XDJHFCHBSA-N 434.517 4.438 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cc(C)cc(C)c3)c2C)cc1 2636251 TZQYWXWBMKOYCK-JFLMPSFJSA-N 447.535 4.417 50 40 IIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C 58913516 RSEUZHLVILVYAS-VULFUBBASA-N 432.524 4.117 50 40 IIGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccccc1F 106953481 NXKCJHHCCTXQAY-CCVNUDIWSA-N 440.478 4.497 50 40 IIGB O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 409377855 LOMVJYLMLXZWLJ-AFUMVMLFSA-N 444.373 4.401 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OC(=O)c2cccs2)c1 9289416 ILJXQGJGRHZQNT-LPYMAVHISA-N 443.322 4.423 50 40 IIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N32)cc1OC 12275071 IXMXYLCKEBRLOB-OPAMFIHVSA-N 442.924 4.000 50 40 IIGB O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)c1cc2ccccc2cc1O 12590097 AMGFABQYUXNIEC-UHFFFAOYSA-N 439.682 4.346 50 40 IIGB CCOC(=O)c1csc(N(NC(=O)Nc2ccc(C)cc2)C(=O)NC2CCCCC2)n1 16956818 QZLJBRHLTZHYQF-UHFFFAOYSA-N 445.545 4.214 50 40 IIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 33684610 FLURATFVPOICDC-VBKFSLOCSA-N 431.414 4.096 50 40 IIGB C[C@@H](Oc1ccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1)C(=O)O 59249132 SPOOZZRTBVSBGU-RHTPEETPSA-N 445.686 4.028 50 40 IIGB COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N/c1ccccc1C(=O)O 1704857 FXNPLWOMAUFHNP-YDZHTSKRSA-N 425.312 4.437 50 40 IIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/C=C/c1ccco1 2343976 TUFAFYYCDUGVMO-KPBMHDTLSA-N 429.505 4.435 50 40 IIGB O=C(N/N=C\c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 15939031 WRKPXQCVAUYENB-KQWNVCNZSA-N 426.473 4.018 50 40 IIGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccccc1 16712142 OFGYXYJZCQHADY-IMRQLAEWSA-N 442.544 4.327 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(OC)c1 107630321 WSJIYIFCRIJCHI-SSDVNMTOSA-N 429.816 4.289 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)O 408798049 UMDACHKUNHXUJG-LZYBPNLTSA-N 428.872 4.365 50 40 IIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408915775 ZYOREMURFHKVLR-AFUMVMLFSA-N 433.464 4.320 50 40 IIGB C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC 409122708 AZIFHVFDDWTWEQ-IBGZPJMESA-N 443.297 4.336 50 40 IIGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409240762 PRIUGFXUQJQBMN-KHAGQWAKSA-N 436.965 4.175 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c1 409267733 WBTPUFICZFANMV-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)=C2C#N)cc1 409328041 YHSUDOBKIBLAKA-MPGHIAIKSA-N 429.611 4.270 50 40 IIGB O=C(COc1ccc(Cl)cc1I)N/N=C/c1cccc(Cl)c1 3036105 UPKWEIVAVWKFPP-UFWORHAWSA-N 449.075 4.127 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 34718144 UBTRNVJIJCTBEM-SSDVNMTOSA-N 426.816 4.231 50 40 IIGB Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)c3ccccc3Cl)c3ccccc32)cc1 46084804 AYQWTHHMLUTYMW-ROMGYVFFSA-N 433.895 4.208 50 40 IIGB CCOC(=O)[C@H](/N=N/c1ccc([N+](=O)[O-])cc1)[P@@](=O)(OCCCl)c1ccccc1 100900794 ZOOORKWNVPIUOR-FFDDCMMSSA-N 439.792 4.427 50 40 IIGB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408707157 HIQVOZZZTPQNAC-MQMOSTEBSA-N 430.911 4.368 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408724797 CHKAEEYJEPEVFU-RPPGKUMJSA-N 437.883 4.210 50 40 IIGB COc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OC 408963375 NRAVPPSXJOCSRP-AFPJDJCSSA-N 431.208 4.249 50 40 IIGB Cc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 409311395 GFEHGSBNXKNUPH-SFHVURJKSA-N 425.941 4.037 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409364660 OIFMGCZJDLWDML-YSMPRRRNSA-N 447.491 4.492 50 40 IIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCC(=O)Nc2ccccc2)cc1 678104 UJLWQJOODGRQEQ-HSZRJFAPSA-N 443.503 4.155 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br 4062298 MYCJCEYZYGZSFS-FOKLQQMPSA-N 428.252 4.227 50 40 IIGB Cc1cccc(OCCCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 12542599 PGVBGRZTLPWYJF-UHFFFAOYSA-N 439.339 4.467 50 40 IIGB NNC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226339981 VLNUCAYLPCCRKH-UHFFFAOYSA-N 434.515 4.048 50 40 IIGB O=C(COc1ccccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1)Nc1ccccc1 408678398 YJRWKXXHSCWVIE-OVVQPSECSA-N 442.519 4.068 50 40 IIGB O=C(N/N=C\c1cc(Br)c(Br)o1)c1ccc(-n2cccc2)cc1 408955964 ZFJQMZYFKFWESO-GRSHGNNSSA-N 437.091 4.359 50 40 IIGB O=C(Cc1ccccc1)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 408997181 LOQNKURLKLJGRM-UHFFFAOYSA-N 442.302 4.249 50 40 IIGB COc1ccc2cc([C@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC(C)(C)C)c(Cl)nc2c1 872618 NJHLMQCFCRELPE-SFHVURJKSA-N 427.888 4.320 50 40 IIGB CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(N)=O)cc1 9635658 GYGOMDJMCVQFAV-YDZHTSKRSA-N 434.334 4.207 50 40 IIGB Cc1cccc(OCC(=O)NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 12778938 YUYBRAVIKZKDHV-UHFFFAOYSA-N 433.489 4.219 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3ccc4c(c3)OCCO4)c2C)cc1 14358981 FOTAUWOZCDCNSJ-DEDYPNTBSA-N 442.471 4.442 50 40 IIGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)sc(N)c1C#N 16249615 JNHGVIYYKXAOIM-LSFURLLWSA-N 429.299 4.297 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 19950143 WFWBMJOQIGSDOK-JJIBRWJFSA-N 441.940 4.076 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1OC 28217607 JQJLKMNYBFFIFE-AFUMVMLFSA-N 425.916 4.458 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1 107672119 VKBHRYRRYMIIOM-WSDLNYQXSA-N 426.270 4.431 50 40 IIGB COC(=O)/C=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@]12C 118917977 VGARIQOMXRAOII-ZQFJQVEXSA-N 435.358 4.170 50 40 IIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)(C)C)cc1 408996124 KZYXDLOCNRTGBD-MMTYYTLLSA-N 447.988 4.264 50 40 IIGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(C#N)cc1 20195134 YFGCHRMSCOTIIC-LQKURTRISA-N 427.504 4.456 50 40 IIGB O=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)c1cc2c(s1)CCCCC2 20628943 BLAMSFBJJVXYIN-UHFFFAOYSA-N 425.384 4.009 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 35087692 IUEDAKSNHCLBSI-MYYYXRDXSA-N 433.464 4.184 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc2c(cc1Cl)OCO2 408570550 WRZOHMUCTQPBEH-ZVBGSRNCSA-N 436.942 4.076 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3cccc4cccnc34)o2)cc1 408759830 MLRWJDDECBYPGT-JFLMPSFJSA-N 443.459 4.201 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(OC)c1 408876458 OYJZWLVNOXARJK-GZTJUZNOSA-N 447.447 4.404 50 40 IIGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 2177698 SWBMIFKFZSFZCK-MZJWZYIUSA-N 435.911 4.108 50 40 IIGB O=C(O)c1ccc([N+](=O)[O-])c2c1NC[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445778 FGRUSOUYEDNLRK-JLJVSLMISA-N 449.872 4.499 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 12402234 LHQGPGKZVDHFJV-RUZDIDTESA-N 446.457 4.012 50 40 IIGB O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58884675 CPCRDLUDVMCNMI-KIBLKLHPSA-N 435.789 4.306 50 40 IIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C 58913500 XZTWITICUTVOCW-VULFUBBASA-N 432.524 4.117 50 40 IIGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1 58985616 CIOUAHPNDKVZPR-BUVRLJJBSA-N 436.309 4.394 50 40 IIGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1OC 408582418 OBHSBXQUXXIZCI-MKMNVTDBSA-N 448.269 4.002 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1Br 408740456 GDYIWAKNGYTBCQ-ZMOGYAJESA-N 440.297 4.091 50 40 IIGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 408754251 FVGDNECTVDYGIW-DNTJNYDQSA-N 430.085 4.445 50 40 IIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(I)o1 408805297 FXSVQZBJYNJEJP-RMKNXTFCSA-N 428.613 4.092 50 40 IIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408822192 BNWGFPRXPWVZAY-OQLLNIDSSA-N 428.872 4.476 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 408965904 JRVRVOSQVNHXIJ-QFEZKATASA-N 433.464 4.436 50 40 IIGB O=C(N/N=C/c1ccc(Br)o1)c1ccc(CN2CCc3ccccc3C2)cc1 408999029 REPXNYJWXMHWFO-ZMOGYAJESA-N 438.325 4.364 50 40 IIGB N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1426554 KRVVRNHSMBDGLY-LJQANCHMSA-N 439.288 4.288 50 40 IIGB Cc1cccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)c1 2390230 BRUSDQPLFZPMEQ-SWEXZPIWSA-N 432.332 4.213 50 40 IIGB CCCOc1ccc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 19851779 FCMWICPKZIIPRO-XUZZJYLKSA-N 445.567 4.008 50 40 IIGB COc1ccc(OC)c(/C=N/NC(=O)CCn2c(Cc3ccccc3)nc3ccccc32)c1 28464508 IWKOTSLEQDPWPD-OVVQPSECSA-N 442.519 4.185 50 40 IIGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccc2)cc1 58926010 URNCDFULKUIRDT-BUVRLJJBSA-N 441.940 4.070 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1Nc1ccccc1C 408707296 IYLPBJLUAVQTSG-PMFZIYJTSA-N 430.508 4.075 50 40 IIGB O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1 408708809 TULVPFOTKNVEOQ-BHGWPJFGSA-N 431.279 4.097 50 40 IIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1ccc2ccccc2c1 408888065 WHEVUDFICYKASK-KOEQRZSOSA-N 430.485 4.371 50 40 IIGB O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc(Cl)c(Cl)c1 408965645 WUVWNOFGJLTABI-CNHKJKLMSA-N 435.048 4.068 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccc(C#N)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 409198776 FGQGGFVZCQNFMC-SSDVNMTOSA-N 437.455 4.089 50 40 IIGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 3100984 RPFFZDYWMHGPQO-CIRUFVMISA-N 435.911 4.247 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccc(O)c1 9272453 ZNLWPSOZJQVYNF-KGENOOAVSA-N 444.607 4.477 50 40 IIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(I)c2)c1 9846051 VVKDQSAODWDUCL-SRZZPIQSSA-N 436.293 4.252 50 40 IIGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 13562643 AHRCRNOWMLNZEO-TURZUDJPSA-N 429.520 4.103 50 40 IIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1OC 16439397 KJRFEXDLXVEFCQ-NTEUORMPSA-N 431.286 4.411 50 40 IIGB COc1cc(OC)c([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1OC 20029487 CCFJWUSNXZSWKU-MRXNPFEDSA-N 443.569 4.060 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 20240413 YQYXDLOHJYIOEC-TURZUDJPSA-N 426.564 4.077 50 40 IIGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1 59101614 USACLTXCTYLTIY-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCCC2)cc1 408566586 AODQQGXFFKKXBK-HZHRSRAPSA-N 427.595 4.295 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 408783140 LIKWERMIOGVVTO-ULJHMMPZSA-N 440.547 4.154 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(C)c(C)c2)cc1 409184739 MKNWOKRABVUTDF-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409264079 KPBMAQOCABXERK-YUMHPJSZSA-N 445.519 4.484 50 40 IIGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)cc1 10315732 VBLLTGKPBCGYEK-MFKUBSTISA-N 434.496 4.402 50 40 IIGB O=C(O)c1cccc2c1N[C@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 13151931 JGVHSWXYIOECCL-MNFIZOLPSA-N 448.884 4.044 50 40 IIGB Cc1ccc(NC(=S)NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1Cl 16273766 VMRAPEALXNZLEZ-UHFFFAOYSA-N 439.155 4.217 50 40 IIGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 23402654 OYTOCYQRPAYKHV-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Br 408761124 CBRRYUFUZHQZEW-VXLYETTFSA-N 426.108 4.374 50 40 IIGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCc1ccccc1 408764607 RZYSTVQBWWGXIU-LQKURTRISA-N 441.487 4.352 50 40 IIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 408808406 GJFDUNLOALONTB-ZROIWOOFSA-N 429.245 4.154 50 40 IIGB COc1cc(/C=N/NC(=O)CC#N)ccc1OC(=O)c1sc2ccccc2c1Cl 705337 UCUXNHSADXZBGA-FOKLQQMPSA-N 427.869 4.146 50 40 IIGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 3290175 OQKSZOQJVJUAJV-UHFFFAOYSA-N 437.908 4.179 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)C(C)(C)C 5546845 SMLMUFYAYKRSMQ-HKOYGPOVSA-N 429.586 4.421 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1cccs1 9614441 VTZGUYBPHAPWRM-ZMOGYAJESA-N 438.505 4.122 50 40 IIGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1OC 9693104 OPFLRQXXYMVAQX-KRWDZBQOSA-N 425.485 4.062 50 40 IIGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1O 40961730 NXLMWCSDQIJWHZ-AWQFTUOYSA-N 443.750 4.449 50 40 IIGB O=C(CCc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 58871628 SWHKKUMUPWRXGX-VXLYETTFSA-N 426.108 4.000 50 40 IIGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1 409105995 KIZANNCKHGPUSJ-WPWMEQJKSA-N 446.551 4.475 50 40 IIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)cc1Cl 9110511 SIAUYFOQIVFIBC-OAHLLOKOSA-N 429.904 4.498 50 40 IIGB COc1ccc(/C=N/NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1OC 9805764 JMJIVLWTIMYSQK-NLRVBDNBSA-N 431.492 4.299 50 40 IIGB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 14242039 TYHKAZHCBHRTSH-UHFFFAOYSA-N 442.947 4.077 50 40 IIGB Cc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21 18173612 WQZCTGHENMNKEA-GFCAVMEOSA-N 429.520 4.231 50 40 IIGB O=C(COc1ccc2cc(Br)ccc2c1)N/N=C\c1ccc([N+](=O)[O-])cc1 30926417 ZPXAKUNHZUGSCJ-NHDPSOOVSA-N 428.242 4.040 50 40 IIGB CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)c1 2309591 LQATZLXZOSIQKC-QFIPXVFZSA-N 447.516 4.283 50 40 IIGB CC(=O)Oc1ccc2c(c1)C(=O)[C@H](Br)[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 4900300 FIDNPUKFOJNBJX-RBHNPOJSSA-N 449.341 4.413 50 40 IIGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 9591783 YOUACBSFGGUYNI-XIEYBQDHSA-N 449.532 4.027 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38650274 ROJNKKSRIGNWCI-QHCPKHFHSA-N 428.444 4.141 50 40 IIGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)sc2c1CCCC2 59333776 WTMHDCDINDJGSD-ATVHPVEESA-N 425.554 4.206 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccccc1I 408589194 KYAGEFMPSUPGRE-LPYMAVHISA-N 443.288 4.463 50 40 IIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)cc1 408707874 MJGANKMENJFOOU-CVKSISIWSA-N 444.491 4.088 50 40 IIGB O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408838791 IMCRAEHBMBMQBO-UHFFFAOYSA-N 439.880 4.475 50 40 IIGB O=C(COc1cccc(Br)c1)N/N=C\c1cccn1-c1ccc(Cl)cc1 408846282 MLENJCGQANLCPC-UUYOSTAYSA-N 432.705 4.422 50 40 IIGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 408891283 OBYSOEKKFMALSQ-XMHGGMMESA-N 426.428 4.458 50 40 IIGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1 606422384 UKPOVVHCKRZOOZ-QFIPXVFZSA-N 434.398 4.411 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 2431851 YROBIWJEKSXCBI-KRWDZBQOSA-N 428.275 4.323 50 40 IIGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccccc2-c2ccccc2)cc1 14922561 CLFMYICTXXDTKM-OVVQPSECSA-N 431.492 4.262 50 40 IIGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58914797 SVTANWXVCZASMU-YVNNLAQVSA-N 447.234 4.250 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1Oc1nc(Cl)ncc1F 2314052 SSTBNAUDKWFALW-PGGKNCGUSA-N 435.242 4.487 50 40 IIGB COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)c1OC 12275586 FLYKGYJQPXPRML-OPAMFIHVSA-N 442.924 4.000 50 40 IIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(Br)cc2)c1C 12786528 BQDRFXMGDQBTEL-UZUMKDMXSA-N 430.346 4.298 50 40 IIGB C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C(/C)c1ccccc1 13882114 LDEMFWYPMJNIAJ-BWAHOGKJSA-N 434.569 4.017 50 40 IIGB CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1-c1cc(OC)c(OC)cc1C2 97972137 XKTOFADCOPQQCL-UHFFFAOYSA-N 430.309 4.255 50 40 IIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3F)c3ccccc32)c1 408543318 QEMKPJRMJYZUTH-MZJWZYIUSA-N 429.451 4.379 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(Br)c2)cc1 408745055 PBXDESHVWNZERT-PTNGSMBKSA-N 426.270 4.296 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCC#N 408794312 HZWAXGALHDJFEO-XNTDXEJSSA-N 426.270 4.296 50 40 IIGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408941904 KQHCIJIMYVHYJZ-MXAYSNPKSA-N 439.899 4.147 50 40 IIGB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NNC(=O)Cc1ccccc1 14059252 XFKUQDKRECHYKK-UHFFFAOYSA-N 429.476 4.027 50 40 IIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c1 28216819 ZSFJQMBYTJLCCG-OGLMXYFKSA-N 444.579 4.307 50 40 IIGB CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1 408604993 KEZLIVJJXHINFG-LJQANCHMSA-N 433.562 4.432 50 40 IIGB N#C/C(=C\c1cn(CCCOc2ccccc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 409194681 LHOQHOGWXVJDFB-UEAVEIDSSA-N 429.520 4.313 50 40 IIGB COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1I 3081441 SJZZGPAEEZARDZ-LPYMAVHISA-N 444.272 4.146 50 40 IIGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(Br)c1 58914594 GFVGMQRPHQSYHN-JJFYIABZSA-N 446.688 4.451 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 103071510 UUPGMLSMMQJYPY-SCLBSKRCSA-N 425.573 4.295 50 40 IIGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 105067933 GAJNUEOPCDADLF-ZMOGYAJESA-N 439.855 4.356 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)NCc1ccccc1 408794572 JQVSRWWZNDGCOL-XSFVSMFZSA-N 429.451 4.067 50 40 IIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(Br)cc1 408870798 WVBGZWVCGKAYHE-VGOFMYFVSA-N 435.705 4.472 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1O[C@H](C)C(=O)O 409009613 GWFSAIWNZPVABA-NUBYWOLOSA-N 435.263 4.400 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1C(C)C 409371968 KNSOFRTURDVNBT-XSFVSMFZSA-N 447.535 4.365 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Br)s1 705781 MBRZVYFGTLVDNB-OAHLLOKOSA-N 431.311 4.293 50 40 IIGB COc1ccc(/C=N/NC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 2271405 NQRAHDLSTCWVKX-AFUMVMLFSA-N 429.303 4.388 50 40 IIGB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(Cl)Cl 3166817 OXEQZRJNQOXLMI-UHFFFAOYSA-N 427.231 4.248 50 40 IIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccccc3)cc2)CC1 20240544 RZPILBLMYQANDG-SGWCAAJKSA-N 442.563 4.171 50 40 IIGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 59639086 ZOYUBJNTHRWESI-BXNHQAKUSA-N 439.874 4.205 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3OC)c2C)cc1 107795496 KBDNDDUAFLMTQY-CVKSISIWSA-N 449.507 4.052 50 40 IIGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408837227 ALDFZAFUGNOLRD-SRZZPIQSSA-N 440.437 4.147 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 408963800 PKBWCKNJDOKFFK-SRZZPIQSSA-N 444.241 4.432 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)cc1 408964484 HEFCSGLXNCOXMH-FSJBWODESA-N 433.376 4.152 50 40 IIGB COc1cc(OC)c(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1Br 727781 UZAPIJUKZGTPRU-SSDVNMTOSA-N 429.270 4.089 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OC(=O)c1ccco1 3396508 OOYULRUWHRYALT-KIQCMGJBSA-N 438.505 4.458 50 40 IIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Br)c(O)cc1O 9846055 BIZRTGAMHLAQBO-FSJBWODESA-N 441.281 4.056 50 40 IIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)c1C 13758013 DRFMLNICOJJSLB-XMHGGMMESA-N 442.519 4.378 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 13941967 DZDVFRFRWWMCHV-OBXYEHHASA-N 426.900 4.130 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(N/N=C/c3ccc(N(C)C)cc3)cc2)cc1 15912975 MIWSHWGYVSCMTJ-HEPXYTLMSA-N 428.540 4.029 50 40 IIGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 197612535 ONBNIRBZPDDTFD-GOSISDBHSA-N 441.940 4.449 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OC 408543642 RUIBPTRKLMXTMH-AUWJEWJLSA-N 445.269 4.100 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)cc1 408676913 NPHCDXQFTWDNQA-WPWMEQJKSA-N 444.535 4.245 50 40 IIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 408742140 POSCEDGKKPKADM-AFUMVMLFSA-N 446.488 4.288 50 40 IIGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 1303904 RJRYVKPLVSGHBK-YDZHTSKRSA-N 443.960 4.260 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 2053930 LNXLOBPJWMGELB-LGJNPRDNSA-N 428.414 4.202 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19948860 KYZHNBIMUYNDPT-YYADALCUSA-N 449.576 4.348 50 40 IIGB NNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3F)o2)c2ccccc12 226769391 DGKMGCZZQKIFNU-UHFFFAOYSA-N 442.244 4.095 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 408798665 WJBGRLVPUMKZRZ-UKTHLTGXSA-N 434.364 4.317 50 40 IIGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3cccs3)c3ccccc32)C1 2358548 PZMPNDUYIXCHDL-PFVANWKLSA-N 436.581 4.087 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1I 9190636 VWULGYSUFGAAIQ-DJKKODMXSA-N 428.657 4.026 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c(C#N)c1C 408546339 HFZILROBHBYGAJ-PDGQHHTCSA-N 433.533 4.424 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Br 408747112 ZQACAKFJOYKNDJ-WJDWOHSUSA-N 425.282 4.405 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 409390274 CGIAPGKHTGHNMK-AUWJEWJLSA-N 441.871 4.240 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc(Br)c1O 3033313 MUGMGJWQNQUDHQ-FSJBWODESA-N 449.345 4.380 50 40 IIGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 16736606 RXBDJRPWPAWBPK-FMIVXFBMSA-N 430.327 4.034 50 40 IIGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccccc1C#N 20195130 OXSILNBIAVDHBX-LQKURTRISA-N 427.504 4.456 50 40 IIGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 20813835 HJEAUOGMWWRKPU-JOCHJYFZSA-N 433.533 4.318 50 40 IIGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=C2CCCCC2)cc1 58925973 ONHSSVHEPIQXQT-UHFFFAOYSA-N 433.961 4.356 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(C)c(C)c2)cc1 408775247 GDGSCWYUKCBFRW-UHFFFAOYSA-N 427.570 4.243 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OC 408878979 CCJJAQMIGVEBFO-NTUHNPAUSA-N 446.257 4.229 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409231497 KUJFXKVLKHIQDA-PACYTGELSA-N 442.899 4.075 50 40 IIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1O[C@H](C)C(=O)O 409249326 NHNSFZZZGUTQSG-JYVXZMADSA-N 435.263 4.400 50 40 IIGB Cc1n[nH]c2c1[C@@H](c1ccccc1OCc1cccc(Br)c1)C(C#N)=C(N)O2 1065329 NBQFFTFDFRTYKP-IBGZPJMESA-N 437.297 4.278 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 12402228 MVYVNXUOAMZQHE-RUZDIDTESA-N 446.457 4.012 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(C(=O)O)o1 33575607 HGPXLPVRMDKWHD-ATVHPVEESA-N 438.480 4.311 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cc(C)cc(C)c2)cc1 408779720 IXHAJTRCXHOKRG-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB O=C(COc1cccc2ccccc12)N/N=C\c1cc(Br)c(N2CCCC2)o1 408849012 UATLCTUITKQIFT-QRVIBDJDSA-N 442.313 4.325 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1Cl 409302377 IMAGFBUNUQWSOJ-HNNXBMFYSA-N 435.977 4.066 50 40 IIGB CCOC(=O)c1cccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)cc4)CC(=O)N3C2)c1 9408636 ZQIRNNFWNMFTKM-FQEVSTJZSA-N 449.532 4.091 50 40 IIGB O=C(CCc1ccccc1)NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 10387024 NXBXQCPKSGXGDX-UHFFFAOYSA-N 427.295 4.198 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccccc1C#N 12467544 XILGAMRLUKBUDN-MZJWZYIUSA-N 449.894 4.328 50 40 IIGB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1 100281020 ZZOSMAGSSXYDDE-PDGQHHTCSA-N 438.742 4.085 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(F)cc1 408944817 VQEKESWDDSJHHQ-JFLMPSFJSA-N 428.467 4.475 50 40 IIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2ccccn2)o1)c1ccccc1 408991393 NSMVMWMQTSPASB-LSPPGFKNSA-N 438.509 4.153 50 40 IIGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1 2211572 YIAGYQPNZMFASB-FQEVSTJZSA-N 426.538 4.057 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)s1 2631967 SCXFRQINDUPWGS-CIAFOILYSA-N 433.942 4.275 50 40 IIGB Cc1cc(Cl)ccc1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1O 15938474 BWCDNWYGKFXSCO-SCDVKCJHSA-N 432.101 4.299 50 40 IIGB O=C(NNc1ccccc1OCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408607786 OICYRHWPUUVGOH-SFHVURJKSA-N 435.911 4.415 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 408791058 VKCQLWVXMUZLKY-JAIQZWGSSA-N 435.480 4.342 50 40 IIGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccccc2F)nc2ccccc2c1=O 710341 DIESYUQIAKIUIL-VULFUBBASA-N 446.507 4.076 50 40 IIGB CCN(CC)c1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 9670606 XBYUKKHYKKZCIE-DYTRJAOYSA-N 428.540 4.014 50 40 IIGB O=C(CCCOc1cccc(Br)c1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 12658287 ASNOKVOTIVYVMH-UHFFFAOYSA-N 449.389 4.362 50 40 IIGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(F)cc3)c3ccccc32)C1 16038426 CDCVGDWOUSMXQC-XMNRJSILSA-N 448.542 4.165 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCCC)c1 18996751 FQFJOPVUQTUXNB-BUVRLJJBSA-N 430.501 4.054 50 40 IIGB CCOC(=O)/C(C#N)=C(O)\C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 104286753 SNAJJOCSGOXFJZ-WPQXUMJZSA-N 441.281 4.119 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C(=O)OCC)c1C 107834805 KZMOOMCEAKKUCW-XNTDXEJSSA-N 429.469 4.268 50 40 IIGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)O 108082238 RDAKBGGCWJFBPD-NSIKDUERSA-N 447.241 4.284 50 40 IIGB C[C@@]1(C#N)C(N)=C(C#N)C(CC(=O)Nc2ccccc2)=C[C@@]1(C)CC(=O)Nc1ccccc1 226762789 NBNYXCXQUYAOLD-IZZNHLLZSA-N 439.519 4.257 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408769296 QPBHCBKBAZNZHD-LYBHJNIJSA-N 429.586 4.345 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1ccc(Cl)cc1 409229900 VWPOVASGUBEPJZ-WQRHYEAKSA-N 439.899 4.148 50 40 IIGB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Br)[C@@H](Br)c1ccccc1 1801224 BQTQWRLEIGQTFB-UONOGXRCSA-N 428.080 4.433 50 40 IIGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccs3)n2-c2ccccc2)cc1 8431272 FCYAWFXITXSGPI-UCQKPKSFSA-N 449.561 4.247 50 40 IIGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@]2(C(=O)Nc3ccccc32)C2=C1CCCC2=O 12372456 DPXFCTKEILIPRC-DEOSSOPVSA-N 430.895 4.060 50 40 IIGB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)ccc1C 408609159 YZUINYKYFIDPCL-HXUWFJFHSA-N 431.521 4.027 50 40 IIGB COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)c1 408675770 ALXWOIIKPQKKJQ-WGOQTCKBSA-N 431.492 4.406 50 40 IIGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC(=O)c1ccccc1 658033 DTZIFTAPXUOWLV-AFUMVMLFSA-N 438.867 4.097 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1O 863776 GNTXIHFFFLAUNG-CVKSISIWSA-N 427.460 4.389 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccc(F)cc2)c(OC)c1 2768774 DXBQQCWERZSTIP-QFIPXVFZSA-N 438.455 4.058 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)o1 2800855 ALEJYLFYLKQGQE-GXDHUFHOSA-N 433.376 4.107 50 40 IIGB COc1cccc(-c2cc(C(=O)N/N=C\C(Br)=C\c3ccccc3)[nH]n2)c1 32559926 PIWKQXKTXVZROW-QATNYAOXSA-N 425.286 4.237 50 40 IIGB O=C(N/N=C/c1ccc(I)o1)C(c1ccccc1)c1ccccc1 96564591 KKJTUGXHNQYYID-FYJGNVAPSA-N 430.245 4.166 50 40 IIGB COc1cc(C)c(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)cc1OC 408549258 ROOSWCFEEJSJKJ-LSHDLFTRSA-N 447.285 4.293 50 40 IIGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br 408819720 RKIMCCGCSFIIAS-BOPFTXTBSA-N 427.298 4.246 50 40 IIGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccccc2)cc1 408922590 PDFGZQHZTFIIIG-UHFFFAOYSA-N 443.569 4.107 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409005489 DSSIPQIBCCMAPO-CVKSISIWSA-N 431.492 4.093 50 40 IIGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nnc2-c2ccccc2)cc1 1244581 QZSQTSNSYQCHET-BUVRLJJBSA-N 447.520 4.168 50 40 IIGB O=C(COc1ccc(Cl)c(Cl)c1)NCc1cccc(NC(=O)CBr)c1 1749674 MWSTVKKQGHMAQN-UHFFFAOYSA-N 446.128 4.022 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1C 2396529 CSQPQZYRBSEHIL-OSEFQUDUSA-N 425.941 4.129 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 9373751 XJVVFLVGLHCRRQ-FQEVSTJZSA-N 432.480 4.101 50 40 IIGB COCc1c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)sc2cccc(F)c12 9514224 CSCILCULCSCBNS-UHFFFAOYSA-N 437.452 4.185 50 40 IIGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 14706273 OCXAZBIJPUUBHQ-UHFFFAOYSA-N 446.473 4.259 50 40 IIGB O=C(COc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1 15133614 KSDPQKFARSEVPQ-OEAKJJBVSA-N 430.892 4.158 50 40 IIGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1[N+](=O)[O-] 16678665 HLPYWNODUOEYGS-JOCHJYFZSA-N 444.495 4.153 50 40 IIGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCC1 19953344 POYYWTHOCSSBIZ-UHFFFAOYSA-N 440.352 4.235 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1cc(Cl)cc(Cl)c1 58911559 XURLOWQUYPGRPY-WYMPLXKRSA-N 435.355 4.300 50 40 IIGB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1 408605215 LAJDMIGNLCZEJJ-HXUWFJFHSA-N 431.521 4.109 50 40 IIGB CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 657666 DQFRWOLHUJJHNS-UFFVCSGVSA-N 441.709 4.282 50 40 IIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cc2c(C)cc(C)cc2nc1Cl 898829 NDGJWRATQAUZMH-KRWDZBQOSA-N 432.307 4.369 50 40 IIGB CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@H]1c1ccc(Br)cc1F 994180 OBJUTASPKNZHLE-QGZVFWFLSA-N 443.272 4.370 50 40 IIGB COc1cccc(NC(=O)NNc2nc3c(-c4ccccc4)nnn3c3ccccc23)c1 10272474 ITCAMZRCUYJMIJ-UHFFFAOYSA-N 425.452 4.102 50 40 IIGB Cc1ccccc1N1C(N)=C(C#N)[C@]2(C(=O)N(C)c3ccccc32)C2=C1CC(C)(C)CC2=O 13567596 RUDOKYVKMDDELC-MHZLTWQESA-N 438.531 4.067 50 40 IIGB COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 30937382 QVCGSZXINWWQQL-ZVBGSRNCSA-N 425.710 4.257 50 40 IIGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)NCc1ccc2c(c1)OCO2 59297537 NMWVSVUHNUMDSP-KEBDBYFISA-N 430.435 4.357 50 40 IIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 59473219 QOHQDMBANYDUOB-SECBINFHSA-N 438.734 4.056 50 40 IIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 408530848 MVMCTGXARYGQTB-KBKYJPHKSA-N 431.370 4.226 50 40 IIGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(C)[nH]c2ccccc12 409020066 YVPIDEQXVYTLBS-VXYCCBPDSA-N 448.567 4.153 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409222364 CLKCTKRPLDBQKF-UFFVCSGVSA-N 444.787 4.189 50 40 IIGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 1087781 MTXLHOVGCJYXCO-ZHRRBRCNSA-N 426.451 4.424 50 40 IIGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089092 OZILBTHIRFOJJG-PCLIKHOPSA-N 441.447 4.396 50 40 IIGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1OC 1097722 QFHZDEZQCPPKFD-QGZVFWFLSA-N 442.397 4.331 50 40 IIGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9089365 HHMCFZJARKXRAT-HXUWFJFHSA-N 436.533 4.291 50 40 IIGB Cc1ccc2nc3c(c(C(=O)OCC(=O)C(C#N)=C4Nc5ccccc5N4)c2c1)CCCC3 9171486 NGNNVOZHGMUCJO-UHFFFAOYSA-N 438.487 4.421 50 40 IIGB N#C/C(C(=O)N1CCCCC1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13552877 KEPDHUBCCLPTNM-KWLPWJRRSA-N 435.524 4.264 50 40 IIGB Cc1cc(COC(=O)NNC(=O)COc2ccc(Cl)cc2C)ccc1Br 16282119 ZKYHQCPAVBNTIM-UHFFFAOYSA-N 441.709 4.056 50 40 IIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 16322151 CGHNXZMOEAYPEL-OTWRLEFPSA-N 441.734 4.462 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 58913462 VYSXMWMLXNHNID-CVKSISIWSA-N 432.524 4.198 50 40 IIGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc2C(C)=CC1(C)C 208525118 ZLWIQDGZSNJGJO-QFEZKATASA-N 436.512 4.454 50 40 IIGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc(I)c1 408754520 KQSJYSURABZGCS-WSDLNYQXSA-N 426.257 4.307 50 40 IIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 408805766 LKSOBCVEJFFECF-VUVCFOEZSA-N 441.915 4.188 50 40 IIGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1 408899228 OFVRQFYEZBQYHQ-AFUMVMLFSA-N 430.420 4.340 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c1 409265774 OZRJHYRGJJYFKJ-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB CCOC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2cccc3ccccc23)c(OC)c1 9234733 LCSMNHAWWFOODO-QGOAFFKASA-N 437.473 4.086 50 40 IIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1Br 12555957 OQROGMDZQIVQBU-KPKJPENVSA-N 432.230 4.007 50 40 IIGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc3c(c2)OCO3)=N\Nc2ccccc2)s1 17215502 YJIYIZVSNDWVOT-RFTKAUSJSA-N 435.509 4.173 50 40 IIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 25329399 YZHIZRJJSZSKBY-WOJGMQOQSA-N 445.504 4.155 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3Cl)o2)cc1 57411653 PNLNGZAVXMXJSH-ZMOGYAJESA-N 426.856 4.306 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1OCC 408725231 DOQZSYNTOLNUQZ-LPYMAVHISA-N 431.514 4.166 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 2307045 DUHZVITYOHSQTC-LPYMAVHISA-N 442.471 4.196 50 40 IIGB O=C(N/N=C/c1c[nH]c2ccccc12)C1CCN(Cc2ccc(Br)cc2)CC1 8780708 MJWROXITXWSVKU-AFUMVMLFSA-N 439.357 4.293 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(C)c(Br)c1 8812669 OJVYLBUVSPIJPR-DJKKODMXSA-N 426.108 4.293 50 40 IIGB O=C(COc1cccc2ccccc12)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 9933381 CBRIRRMFIYSNEY-VULFUBBASA-N 442.431 4.464 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 48572062 QELGHOXKVYNOPA-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)cc1 408711820 MFLLPMPLIJKSRE-UCQKPKSFSA-N 449.345 4.338 50 40 IIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1 831191 VZRHICSMVWPKFS-PTZPRWATSA-N 428.554 4.179 50 40 IIGB CCOc1cc(C(=O)NNC(=S)Nc2cc(C)ccc2C)cc(OCC)c1OCC 1410860 ZKVYPYYJPIKKII-UHFFFAOYSA-N 431.558 4.131 50 40 IIGB CCOC(=O)c1csc(N(NC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)n1 1415200 ZRRZKCZHAVQKOZ-UHFFFAOYSA-N 438.509 4.320 50 40 IIGB Cc1c(SSc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 2572993 QOUYVMZTJZQOAU-UHFFFAOYSA-N 438.578 4.082 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)C2=C(CCCC2)[C@@H]1c1cccc(I)c1 8742182 PTSJRBACYMLGJQ-KRWDZBQOSA-N 426.261 4.029 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(N(C)C)cc1 408543628 PMGNOMVGJWWCNN-MOSHPQCFSA-N 428.492 4.404 50 40 IIGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 408545201 ZVLDVVPFZSBWDL-MOSHPQCFSA-N 430.460 4.070 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1ccccc1 408802306 YYBQOSSYINSBRI-GBNGNPGJSA-N 447.535 4.315 50 40 IIGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c1 408875390 ICAUAACPCXHVFB-RIYZIHGNSA-N 448.260 4.244 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 34707416 KKTUPLAJECWQMG-WJDWOHSUSA-N 448.431 4.120 50 40 IIGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)c1 58918128 LZDOMNMBCRXNHJ-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2ccco2)cc1)Nc1cc(Cl)ccc1Cl 408762271 JXCKDPBDZLVUSB-FOKLQQMPSA-N 432.263 4.368 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408776987 SXHYVBDJABEBQJ-YYADALCUSA-N 449.576 4.348 50 40 IIGB Cc1ccc2cc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)c(Cl)nc2c1 1069323 NQINKNSYRHJNRQ-RPPGKUMJSA-N 428.879 4.460 50 40 IIGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1 1775824 VBIISFKYTZHRKI-FOWTUZBSSA-N 429.856 4.193 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(CC)cc2)c(OC)c1 8717180 UBIGFXSBGVSFSX-LTGZKZEYSA-N 448.519 4.231 50 40 IIGB CC/C(Cc1ccccc1)=N\NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 9191041 OLKOJNNQGWGNQH-PTGBLXJZSA-N 427.961 4.353 50 40 IIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 9259065 HEQDKNSYFRDKIL-DHRITJCHSA-N 438.867 4.146 50 40 IIGB C/C(CCc1ccccc1)=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 20059403 RWHGJEFMYGTSJU-LHLOQNFPSA-N 449.576 4.391 50 40 IIGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 20197716 QEEYAQFNZNSZBL-WGOQTCKBSA-N 433.508 4.433 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccccc1 20933224 MNEXDYOAANLEDN-WSDLNYQXSA-N 429.270 4.394 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc(Br)c1O 2319333 QGVDZGLNADNSKY-FOKLQQMPSA-N 440.297 4.353 50 40 IIGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c1 8398860 HSFFXCRKGUHYOB-UHFFFAOYSA-N 429.520 4.002 50 40 IIGB aggregator C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1ccccc1C 8763925 SPDKZAIVIFBTNG-RDRPBHBLSA-N 443.507 4.198 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1cccc(Cl)c1 59101460 JRJZLJRXUWXLEI-DHRITJCHSA-N 425.847 4.147 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408726987 PCYDPZWQKZCRAI-RPPGKUMJSA-N 437.883 4.210 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC 408750960 UONRZDGJHAXVOK-ZXVVBBHZSA-N 430.504 4.036 50 40 IIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408882360 NQTSAFSWAJTYSF-GXDHUFHOSA-N 434.364 4.317 50 40 IIGB O=C(COc1ccccc1Cl)N/N=C\c1cccn1-c1cccc(Br)c1 409012799 KVXDMRMLJBGDBZ-UUYOSTAYSA-N 432.705 4.422 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1 409333068 IEYBAOPXAJSULU-QGZVFWFLSA-N 441.940 4.368 50 40 IIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(I)o1 3106889 WYVCDQPMRKKYMB-CIAFOILYSA-N 446.244 4.080 50 40 IIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccc(C(F)(F)F)cc1 6445636 LKPZGDTVZOPLSC-INIZCTEOSA-N 426.354 4.042 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]2CN(Cc3ccccc3)CC=C12 8926350 BTIIWIFSPDNJFX-GOTSBHOMSA-N 425.923 4.266 50 40 IIGB BrC[C@@H](Br)[C@H]1CC[C@@H](Br)[C@@H](Br)C1 17263686 PQRRSJBLKOPVJV-FKSUSPILSA-N 427.800 4.472 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3OCC)o2)cc1 35169331 LZVKZSUMXAUJGF-MFKUBSTISA-N 436.464 4.051 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1Cl 58884791 GZJBUCVPHFHLJT-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 408605234 LCIKNELTJCXFSU-QGZVFWFLSA-N 426.885 4.158 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1F 995797 JMVGNLHDBAAQKB-QFIPXVFZSA-N 438.430 4.367 50 40 IIGB N#Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 8746892 LXPUHXMJRRMYKB-WGOQTCKBSA-N 438.516 4.048 50 40 IIGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1[nH]c2ccc(F)cc2c1Cl 40144604 RBPLUEIOPAPZAJ-UHFFFAOYSA-N 428.876 4.467 50 40 IIGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1C 408590599 PVPBWEFJDMONKU-KBKYJPHKSA-N 438.915 4.347 50 40 IIGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)cc(C)c1 408708597 QZRIYLQJQCMQQP-ZMOGYAJESA-N 445.361 4.176 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)NCCc1ccccc1 408812779 PMMMJODOLRQORB-LTGZKZEYSA-N 443.478 4.109 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1 408880890 JHOGOUFXMZDQAU-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCC 409134005 VFYHBCCCIKORBU-QGZVFWFLSA-N 433.302 4.061 50 40 IIGB COc1cc(OC)cc(C(C)(C)OC(=O)N[C@@H](CSSC(C)(C)C)C(=O)O)c1 2570572 OJGJRVTZWDEOKO-HNNXBMFYSA-N 431.576 4.298 50 40 IIGB COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccc(C)cc1 9318926 YXWGQTBBURMWKU-RTBURBONSA-N 426.925 4.320 50 40 IIGB Cc1ccc(SCC(=O)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1 12738325 BSARMJAQKYWKHF-UHFFFAOYSA-N 426.567 4.047 50 40 IIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(OCC)cc2)c1C 20764363 PWAIUJBTNADJCM-WGOQTCKBSA-N 433.508 4.433 50 40 IIGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1Br 102985088 YTKPZERIXNXICI-HIXSDJFHSA-N 434.293 4.130 50 40 IIGB CN1/C(=C(\C#N)C(=O)COC(=O)CSc2nc3ccccc3o2)Sc2ccccc21 103185569 VZQMPGYLMTZRML-MOSHPQCFSA-N 437.502 4.009 50 40 IIGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)cc1 408707555 KJCFKDMDSUITPG-MZJWZYIUSA-N 438.890 4.298 50 40 IIGB O=C(N/N=C\c1cccc(OCc2ccccc2Cl)c1)c1cc([N+](=O)[O-])ccc1O 408871834 XVDZQULUHKKGPD-FMCGGJTJSA-N 425.828 4.297 50 40 IIGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O 408918453 KQRVSPARHXNBOK-FMCGGJTJSA-N 425.828 4.297 50 40 IIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 409111067 AVRJCVPXKXVHKP-PTFSYIGCSA-N 439.581 4.017 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 5945442 CFHQVMYBYQPYGB-RUZDIDTESA-N 444.922 4.387 50 40 IIGB COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C1C#N 9015067 QVPPIMRSROBOFF-INIZCTEOSA-N 441.940 4.368 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2c(F)cccc2Cl)[C@H]2CN(Cc3ccccc3)CC=C12 16034330 KKOWHDSONFZAPL-CVDCTZTESA-N 443.913 4.405 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 40161160 NELCOAWAQNJNMP-JAIQZWGSSA-N 436.508 4.497 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408873987 YGJPQCMTCACGCI-VULFUBBASA-N 430.439 4.430 50 40 IIGB Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2320732 YQTUWTJLNIOWHO-PCLIKHOPSA-N 427.533 4.485 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 9357701 XJVVFLVGLHCRRQ-HXUWFJFHSA-N 432.480 4.101 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2Br)cc1 15219438 PYVIIYMKZZSIAD-ZROIWOOFSA-N 431.286 4.411 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(F)cc1 33959805 UFXCXOQNLUQWDL-DHRITJCHSA-N 425.847 4.147 50 40 IIGB Cc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 34701877 QMZBNVNREHKXSZ-BUVRLJJBSA-N 447.988 4.122 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(OC)c1 35132601 HVVLVKNEIUCKFX-SSDVNMTOSA-N 429.816 4.289 50 40 IIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1C 58911816 XVHUZJZBRJKYLB-MZJWZYIUSA-N 436.943 4.131 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)c(C#N)c1C 408546266 FRJVQFUZTAUUNU-WLRTZDKTSA-N 444.896 4.191 50 40 IIGB Cc1cc(NC(=O)N/N=C\c2cc(Br)ccc2O)ccc1Br 408904794 OTTLGBLXNSKEHA-LSCVHKIXSA-N 427.096 4.381 50 40 IIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cncc(Br)c2)o1 2352879 XXCDNDVOTVMOSN-UFFVCSGVSA-N 429.230 4.085 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C(/C)c1ccc(Br)cc1 8768476 KKKWCDKCWDVKEU-GRSHGNNSSA-N 426.108 4.374 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCC)c(OC)c2)C(C#N)=C(N)O3)cc1 9160838 YEVABPMDIGGWKA-HXUWFJFHSA-N 432.480 4.101 50 40 IIGB O=C(N/N=C1/CCCCc2ccccc21)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 12564717 FPNQHLLAXNDDQP-PNHLSOANSA-N 436.519 4.249 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 21964838 BFTOLXXLRPRGGX-WATSXHCISA-N 429.476 4.450 50 40 IIGB O=C(N/N=C\c1cccc(O)c1)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 32679261 KDZUAGXOVCZZGI-ONUIUJJFSA-N 426.476 4.168 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccc(I)cc1 59426160 NVTLPILFXQXVCT-LPYMAVHISA-N 443.288 4.463 50 40 IIGB Cc1nnc(NC(=O)CCCC(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)s1 408676814 AHRPWNFYVPGIAI-AWEZNQCLSA-N 444.340 4.032 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(F)ccc2C)c1Nc1ccccc1C 408706895 DVIUXYRZKKJUBR-VULFUBBASA-N 434.471 4.284 50 40 IIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408707340 JEIUUKQLAJJWOA-DHRITJCHSA-N 440.862 4.320 50 40 IIGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21 408754379 KAJQIWMAFSNZMT-ZROIWOOFSA-N 438.281 4.122 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OC 408774621 MPSAHDOSVNRRCC-XLNRJJMWSA-N 431.536 4.078 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C 409005174 DAVQMJYVIFKOSN-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OCC 409316944 RUUSPJHISUUWIV-OYKKKHCWSA-N 432.904 4.475 50 40 IIGB O=C(Cc1cccs1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2654687 PMCHYMIEPLLAER-VXLYETTFSA-N 434.271 4.372 50 40 IIGB N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)N1CCCCC1 16735798 MGQGKTAMJHTKFR-JQIJEIRASA-N 434.883 4.060 50 40 IIGB Cc1ccccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408660807 WXWHBDFODHWIAR-QFBILLFUSA-N 434.319 4.425 50 40 IIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1C 1467452 XOTXCRLLOVKLON-LTGZKZEYSA-N 442.519 4.012 50 40 IIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 2309460 BJZKRCGHVITCLO-NRFANRHFSA-N 435.505 4.089 50 40 IIGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCCSc1nc2ccccc2s1 2726553 UFROOUMTWPYKHB-UHFFFAOYSA-N 435.958 4.292 50 40 IIGB CCc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C2CCCCC2)cc1 12413414 DQSONHPELHTDTR-PCLIKHOPSA-N 438.528 4.455 50 40 IIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(C)ccc3C)c2C)cc1 58912687 HSQBCQZYKPQTFS-CVKSISIWSA-N 432.524 4.198 50 40 IIGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)C12CC3C[C@H](CC[C@@H](C3)C1)C2 100927418 WILUWTLJUAVETM-GVQGPDBOSA-N 436.306 4.120 50 40 IIGB CC(C)NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 245241569 JEAXZBDSWRBFJL-OXHMUOHRSA-N 446.021 4.197 50 40 IIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2c1 408913170 SYBQJLAKJBNRAU-MTDXEUNCSA-N 440.499 4.243 50 40 IIGB O=C(COc1ccccc1Cl)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408913393 QKNOOYJUPSWNLG-ZMOGYAJESA-N 439.855 4.356 50 40 IIGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C 408992390 AXWQYXODSXGONO-BRJLIKDPSA-N 439.899 4.283 50 40 IIGB COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409187375 PQHBAKFNJJEUJP-DHRITJCHSA-N 438.867 4.390 50 40 IIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 2265093 ZWCHZAWDRBJGOO-KGVSQERTSA-N 441.274 4.465 50 40 IIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408676667 MAAMADODWINQFW-PCLIKHOPSA-N 425.916 4.115 50 40 IIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1 409381974 JJMHOGOKTNMSNC-XGICHPGQSA-N 439.107 4.013 50 40 IIGB O=C1/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1c1ccccc1F 2422342 MCANADBXXMGIRB-DTQAZKPQSA-N 443.931 4.489 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1 107603882 ZINUSNOYSWTRTJ-FOKLQQMPSA-N 428.828 4.079 50 40 IIGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21 409175659 AKUOTZYIQCCINR-JVWAILMASA-N 427.504 4.359 50 40 IIGB CCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1 409268141 QKSOYTPOYJRZEG-HYARGMPZSA-N 432.318 4.107 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)[C@@H](O)c1ccccc1 409356649 GVWNKOGSANGKSM-GQBLCDNYSA-N 439.309 4.212 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccncc2)cc1 1479442 RGAAIIAJOWNYIO-ZMOGYAJESA-N 448.577 4.250 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 13839127 VBHRPDFLSFVFCJ-LPYMAVHISA-N 443.322 4.423 50 40 IIGB O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 674948 DIOCMOOBWKKGRF-UHFFFAOYSA-N 445.519 4.199 50 40 IIGB N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NC1CCCC1 2234867 ZCMGHSZYZNLNNL-FYWRMAATSA-N 434.883 4.106 50 40 IIGB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)cc1 9581281 IEWLNNMMMZIYEQ-MRLXWHFUSA-N 442.309 4.297 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1O 59484024 UEGYMHFZILGWIE-ZSOIEALJSA-N 448.260 4.250 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Br)c1 408589301 LGDAGBXUKKKKBZ-FOKLQQMPSA-N 440.297 4.349 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OC 408676376 HTXHAYFRKQVXPZ-OEAKJJBVSA-N 446.345 4.221 50 40 IIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I 408797944 UADOARCLGPLMEJ-GXDHUFHOSA-N 446.244 4.107 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(Br)c1O 408813734 RDIGXFBAPRTQJO-RIYZIHGNSA-N 431.286 4.416 50 40 IIGB COc1ccc2c(c1)/C(=N/NC(=O)c1ccc(OCc3ccc(Cl)cc3)cc1)C(=O)N2 710996 IXUMKWWYMJKPKD-UHFFFAOYSA-N 435.867 4.014 50 40 IIGB CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 714319 CSVXRNAJEQHCAR-QGZVFWFLSA-N 439.265 4.172 50 40 IIGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N32)cc1 12275044 HNTGPROUFDEFIH-GCJKJVERSA-N 426.925 4.382 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)c(C)c1 16805187 QGBMPNAWSUAPJD-KGENOOAVSA-N 449.514 4.475 50 40 IIGB CCCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 17102301 MJTBTOCEAVZEDL-XSFVSMFZSA-N 438.524 4.157 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(F)cc1 408613347 ZFJFKCHANRUYRO-JFLMPSFJSA-N 449.482 4.201 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 408883732 VTYPVQLTUHETDD-LFIBNONCSA-N 433.420 4.095 50 40 IIGB O=C(N/N=C/c1ccc(Br)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 409007412 WGQUBRSZMHWKTJ-YDZHTSKRSA-N 448.748 4.105 50 40 IIGB Cc1cccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)c1 1424589 ZAZJUVLTCAIUKH-SANMLTNESA-N 442.494 4.181 50 40 IIGB COC(=O)c1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 1801197 PTSBITYXMQZCRO-GJZGRUSLSA-N 441.119 4.311 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3284471 PCYNSMBXVUCTPB-LGUFXXKBSA-N 447.560 4.292 50 40 IIGB COc1c(Br)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 12629280 AGZRLKURHSYUDH-INIZCTEOSA-N 435.661 4.058 50 40 IIGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1cccs1 16712239 NXLPPLYXMNHEGA-JLPGSUDCSA-N 448.577 4.332 50 40 IIGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 59382299 PHAMDFFPQRLUJX-FSJBWODESA-N 434.945 4.303 50 40 IIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Br)c2)c1 408746454 ZHHNFCXMYJPFLJ-MLPAPPSSSA-N 449.688 4.420 50 40 IIGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1 409246952 LPPKXNNRCCDHIK-UUYOSTAYSA-N 436.518 4.028 50 40 IIGB COc1cc(/C=N/NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc(OC)c1OC 871050 DYSNAWVFNWYNDR-WYMPLXKRSA-N 439.537 4.120 50 40 IIGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1 2284315 PJPAMEPHBOLVFI-FNBPXTNNSA-N 431.561 4.434 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccco1 9441268 PGWAVKGSCGXQBT-PCLIKHOPSA-N 445.500 4.296 50 40 IIGB COc1ccc([C@H](C)[C@@H](Br)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1 19833441 QLTVSTXOWFRMFJ-UCLAIMLFSA-N 432.314 4.152 50 40 IIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2ccccc2F)c2ccccc12 33547875 ZJCXSLSKEHLRHD-WGARJPEWSA-N 430.439 4.430 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OC(=O)/C=C/c1ccccc1 408718637 NNRJXSNMNYLAHX-NKJAKAMBSA-N 444.487 4.477 50 40 IIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC 408912271 PRPLSWAXVUEYLJ-MORQCWLFSA-N 447.535 4.436 50 40 IIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)cc1 409130438 HNVPHABPUDDBQL-BUVRLJJBSA-N 441.940 4.237 50 40 IIGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)c1OC 2237473 HRFILMUCZNBHCT-KRWDZBQOSA-N 425.485 4.062 50 40 IIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl 12629307 SXICRESSMAKBDP-ZMOGYAJESA-N 428.876 4.262 50 40 IIGB COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccccc1 18210736 BQXXXXBIXAFDLI-JFLMPSFJSA-N 446.503 4.369 50 40 IIGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CN2CCCCC2)c1C 20243780 RWUWKUYJGXLBFU-YDZHTSKRSA-N 431.378 4.101 50 40 IIGB C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1O 20247243 SSJVMPCDUCWFLW-AUXZNKLVSA-N 445.544 4.320 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br 408744321 KKTVTGVOIFJBAI-VBKFSLOCSA-N 425.282 4.405 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2Br)c1 408745049 JIPFQCXODRIIJM-ZSOIEALJSA-N 431.286 4.411 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1 408820172 VUYBRBMGGIDDRI-MTJSOVHGSA-N 442.471 4.226 50 40 IIGB C/C(=N\NC(=O)CNc1c(Br)cc(C)cc1Br)c1ccccc1 1051730 TUMCNMCDMLUEEB-CIAFOILYSA-N 439.151 4.472 50 40 IIGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3C#N)c2)o1 9235068 ZIKBZUCPIWFBRL-VCHYOVAHSA-N 445.862 4.482 50 40 IIGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2OCC)C(C#N)=C(N)O3)cc1OC 9292542 TUKBJCUTFNIYLN-HXUWFJFHSA-N 432.480 4.101 50 40 IIGB C/C(=N\NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 14923216 MFHOZXPXZLVOHN-ACVHBWFCSA-N 446.438 4.045 50 40 IIGB O=C(NNc1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408603317 GHRLNRWLMOBMPW-KRWDZBQOSA-N 437.446 4.040 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 408945738 YAYODUPOGZPDDV-CVKSISIWSA-N 432.524 4.198 50 40 IIGB CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409007470 WOTFJGZXCIHPBM-AFUMVMLFSA-N 448.350 4.395 50 40 IIGB Cc1ccc(C(=O)NNC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1 1377369 BHEQHOBALLBWBH-UHFFFAOYSA-N 426.567 4.047 50 40 IIGB Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NC1CCCCC1 2405458 VDDVKBGZVKWFRM-OBGWFSINSA-N 428.492 4.151 50 40 IIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 35251892 QGQXZNHIWYJPFZ-NHDPSOOVSA-N 428.788 4.109 50 40 IIGB Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c(C)c1 408808255 FICXYFZGXVBWQQ-ROTLSHHCSA-N 448.479 4.263 50 40 IIGB COC(=O)[C@@H]1[C@@H](c2ccccc2)C(C#N)=C(C(SC)SC)[C@@]1(O)c1ccccc1 4204355 GDWNVIPWNAMZDP-LEDOBFOHSA-N 425.575 4.333 50 40 IIGB biogenic Cc1noc(C)c1COc1cccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 9586843 DTWVSQOIISXFAJ-UHFFFAOYSA-N 437.540 4.238 50 40 IIGB C#CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 20195265 VCEBMLZXAUDZTF-ZVHZXABRSA-N 443.341 4.169 50 40 IIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 32522865 HRKMVNCHPDRWFH-WSDLNYQXSA-N 437.502 4.351 50 40 IIGB O=C(CCCCCCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1 33897277 SKQXMIOQPVFZRS-CTVDDJEBSA-N 428.483 4.296 50 40 IIGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 408613307 YVYSHXZJOHQTTK-DHRITJCHSA-N 425.847 4.147 50 40 IIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(I)c2)c1C 408725799 KNIQHJDVTCNWNR-CXUHLZMHSA-N 434.277 4.477 50 40 IIGB C=CCn1c(C)c(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)c2ccccc21 408996865 BEKPKISBWHUQRU-KDPMPHTCSA-N 432.524 4.463 50 40 IIGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1 409326940 OZCBNZYXZOJVEJ-LJQANCHMSA-N 435.549 4.277 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@H](C)CCC[C@H]3C)=C2C#N)cc1Cl 409330806 BMLRTMKXWHWKFW-FMKPAKJESA-N 447.988 4.210 50 40 IIGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)c1 639071 NNUQMLDDFZBAOT-KRWDZBQOSA-N 427.913 4.059 50 40 IIGB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)NNC(=O)c1ccccc1 9633803 DXJQWWHNMWCQSI-UHFFFAOYSA-N 440.575 4.420 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13595545 CJOWGPPNWREPPN-CIAFOILYSA-N 428.242 4.310 50 40 IIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1OCC 35494389 FEZANUMSZWIFBI-QRVIBDJDSA-N 449.732 4.206 50 40 IIGB CCO[P@@](=O)(c1ccccc1)c1nc(-c2cccc(Cl)c2)oc1N1CCOCC1 101434013 MLLHOPQYRZLELX-LJAQVGFWSA-N 432.844 4.097 50 40 IIGB Cc1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1 102644510 WJRHWCHMFPPOLG-CPPNMTBBSA-N 442.309 4.297 50 40 IIGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 408609904 LZSHCMODASPZCZ-MUFRIFMGSA-N 447.510 4.295 50 40 IIGB O=C(N/N=C\c1ccccc1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408732041 OLBYUEUCDHUCHA-WGARJPEWSA-N 428.517 4.090 50 40 IIGB O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O)c1ccccc1 408995806 DXVFPYANKVPBKS-YDZHTSKRSA-N 438.281 4.171 50 40 IIGB Cc1c(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc2n1C 409004618 XTTCLRNNNWTWPV-USMPFQSLSA-N 438.531 4.498 50 40 IIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCC(=O)O 409076088 XPZOIWZNMOCDBH-UDWIEESQSA-N 434.492 4.440 50 40 IIGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(=O)N1CCOCC1 409305913 XRQJHWAUVVRFBP-RCCKNPSSSA-N 428.488 4.150 50 40 IIGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCCSc3ccc(Cl)cc3)ccc21 2653815 YZBZCUKBQOZJJX-UHFFFAOYSA-N 430.961 4.352 50 40 IIGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)c1 12560614 FTWISSJYFYBWKC-LPYMAVHISA-N 442.368 4.178 50 40 IIGB CCCCOc1ccc(C(=O)NNC(=O)CCCC[C@H]2CCSS2)cc1OC 21556492 GSTSBKGEMGCQGG-INIZCTEOSA-N 426.604 4.349 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 111902816 HFYMGYRWYQJQCN-CPNJWEJPSA-N 433.512 4.178 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1 9089413 QIGLOFSUJFDJND-QGZVFWFLSA-N 427.913 4.059 50 40 IIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 33803246 AVGWEAKKVUXFQQ-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c1 108091188 NJCKSSWHHUMFFU-YBEGLDIGSA-N 448.431 4.120 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)/C=C/c2ccc(OC)cc2)cc1OC 408855830 FEEVRXMLJAGUSR-FCDISAAASA-N 445.313 4.195 50 40 IIGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Br)cc1 409214534 YFLRHVYWMKYKRT-JJFYIABZSA-N 441.241 4.309 50 40 IIGB COc1ccc(OCC(=O)N/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409233629 TYBLHKACBGPLSE-JFLMPSFJSA-N 431.467 4.366 50 40 IIGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1 409322782 LAZNNVIWMDDTDW-OAHLLOKOSA-N 427.526 4.258 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC 10475997 UCMCEEKRJQOEOT-OEAKJJBVSA-N 447.329 4.114 50 40 IIGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)cc1 11690309 ANLAPXULWKYOTM-WNSCPLKPSA-N 446.359 4.474 50 40 IIGB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNc1ccccc1 12032463 ZLASSAXSADVTGO-GHRIWEEISA-N 431.970 4.465 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 33431447 WVSICGWWCAJZHZ-SSDVNMTOSA-N 429.816 4.289 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 59334645 GKMWSFVGTXWRFD-SXGWCWSVSA-N 429.860 4.221 50 40 IIGB O=C(O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245232535 XFUDWICYIROLJB-VZOBEWTESA-N 449.872 4.254 50 40 IIGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 408762249 AJOWOEDUZJGCOR-DNTJNYDQSA-N 430.085 4.445 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 408787760 FVGQABUIHMRCRL-OQLLNIDSSA-N 432.261 4.462 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1O[C@@H](C)C(=O)O 409009612 GWFSAIWNZPVABA-HKMIMPICSA-N 435.263 4.400 50 40 IIGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)CC2=O)cc1 409165230 VBLZGYWKDWWAIY-MPTKSEEOSA-N 441.531 4.331 50 40 IIGB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCCBr 2179837 MDSHSUXWIZXFMH-UHFFFAOYSA-N 435.343 4.313 50 40 IIGB CCOc1ccccc1OCC(=O)N/N=C/c1sc(Nc2ccccc2)nc1Cl 2658868 HCYYCTWKTBNBOC-WSDLNYQXSA-N 430.917 4.468 50 40 IIGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1cc(-c2ccncc2)nc2ccccc12 9540113 PPCJTWOYFWSBIV-QCWLDUFUSA-N 428.451 4.085 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1ccc(C)c(C)c1 9969782 WQDLNAGJHKQSCZ-WPWMEQJKSA-N 433.508 4.319 50 40 IIGB CC(C)=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 20461305 MLIDAXVWHRCVQV-UHFFFAOYSA-N 447.866 4.066 50 40 IIGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1 27017782 FIYWREAHMIQPHG-HEHNFIMWSA-N 444.535 4.388 50 40 IIGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 33660020 MYGYEXCSFHWXGP-NTEUORMPSA-N 431.286 4.498 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(OC)c(Cl)c2)c(C#N)c1C 408547212 VJMSDEDZHJHGRS-AUWJEWJLSA-N 428.897 4.486 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3OC)c2C)cc1 408783802 RHTNOYWRPIMGHB-CVKSISIWSA-N 433.508 4.352 50 40 IIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 409103455 BPHLGHYGQWGBLK-RVDMUPIBSA-N 433.449 4.090 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)ccc1Cl 409214475 XSDHZIZQBMYEOA-FSJBWODESA-N 441.827 4.449 50 40 IIGB COc1cc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc(Br)c1O 1081692 PEMMCTPGWLSXPA-GHONEHJGSA-N 442.313 4.267 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1cccc(Br)c1 9109880 AYBYRRAYYVWICM-MRXNPFEDSA-N 442.338 4.160 50 40 IIGB CC1(C)[C@@]2(Br)C=C[C@@](C)(O)[C@]13C[C@@H](Br)[C@@](C)(Cl)C[C@@H]3O2 102948212 WNGMEQXERFPHIP-QBZPWTOJSA-N 428.592 4.365 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(OC)c3)c2C)cc1 223176253 NULUIUDQCSMRKD-MOSHPQCFSA-N 429.476 4.435 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408789754 KWTXJPLGCXCACS-LFIBNONCSA-N 425.282 4.405 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 408813000 CPUHQCVPYLQGOV-BKUYFWCQSA-N 429.476 4.024 50 40 IIGB COc1cccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 408864598 YFVHESFFFMYKJQ-UHFFFAOYSA-N 443.569 4.025 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(N)=O 408880879 KGGDVMOMKRDJLV-NTUHNPAUSA-N 436.103 4.183 50 40 IIGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccco1 409223553 GAZSNMWHXLCMLL-OYKKKHCWSA-N 429.388 4.324 50 40 IIGB COC(=O)c1ccccc1[C@@H](Br)[C@]1(Br)OC(=O)c2ccccc21 3845501 TYEZGMJNGDGVDV-RHSMWYFYSA-N 440.087 4.328 50 40 IIGB biogenic Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NCc1ccccc1 9159425 ZBNFLTWWVWKERO-HMMYKYKNSA-N 436.471 4.019 50 40 IIGB Cc1cc(C)c2c3c(sc2n1)C1(CCN(C(=O)c2ccccc2)CC1)C(C#N)=C(N)O3 9590503 BIRZHJOXXXIXSV-UHFFFAOYSA-N 430.533 4.173 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCCC(C)C 14162553 AJIZGHTYUOBCPK-NRFANRHFSA-N 432.476 4.445 50 40 IIGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC#N)cc3[C@@H]3C=CC[C@@H]32)cc1 58917257 QJXLOFMHQFSQDH-HNGPVKAHSA-N 428.492 4.054 50 40 IIGB O=S(=O)(Nc1cnccc1N1CCOCC1)c1ccc(S(F)(F)(F)(F)F)cc1 97977110 NWXUEUYMFMSAPE-UHFFFAOYSA-N 445.435 4.376 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccccc1I 108600263 OCDUSQVHDUCHIP-UWVJOHFNSA-N 449.075 4.127 50 40 IIGB COc1ccc(/C(C#N)=C/c2cc(I)c(O)c(OC)c2)cc1OC 408582358 NCZYPQACEZJHJB-AWNIVKPZSA-N 437.233 4.087 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2C)cc1 408742839 QCFWPUKOMGUCHS-WPWMEQJKSA-N 440.503 4.435 50 40 IIGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c1C 408810649 KYNNBOPVBXTVAY-STZFKDTASA-N 443.503 4.113 50 40 IIGB Cc1cccc(NC(=O)Cn2cc(/C=N\NC(=O)Cc3ccc(F)cc3)c3ccccc32)c1 409242118 MEZWMHVHFGQVRZ-MBTHVWNTSA-N 442.494 4.420 50 40 IIGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C1c2ccccc2-c2ccccc21 1057115 INLSFECZTKBUGC-BHGWPJFGSA-N 435.277 4.440 50 40 IIGB COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)cc1 1087015 UOFMRJYDRPNRJA-LSHDLFTRSA-N 447.720 4.120 50 40 IIGB COC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)CCl 15413917 LPGRIDNCKCCOGT-KRWDZBQOSA-N 430.715 4.012 50 40 IIGB N#CC1=C(N)OC(c2ccccc2)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 16477924 UPCJGILEOXNSLU-OAQYLSRUSA-N 432.476 4.476 50 40 IIGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCCn1ccnc1 35213114 VKLTZCJHLRWVPP-VBKFSLOCSA-N 425.286 4.019 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38658308 YHKWIJAPEPVISC-XMMPIXPASA-N 442.471 4.450 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 408787497 AYLKHJZTQLLVBT-XSFVSMFZSA-N 429.451 4.067 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC#N 408793584 POXGJGZPDFVLHI-RIYZIHGNSA-N 426.816 4.095 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OC(C)=O 408815090 IGHUOAMVEXNUSS-QPEQYQDCSA-N 433.233 4.068 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)cc(OC)c3O)cc2c1 409187889 VQWRAPBTLXYZMB-FBHDLOMBSA-N 433.258 4.072 50 40 IIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c(O)c1 6173378 HLNOPTRSFUFJFZ-QKWHFDMRSA-N 428.492 4.381 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Cl)c1OCc1ccccc1C#N 6300186 YZRRTAGGFLUPAE-FQEVSTJZSA-N 447.882 4.049 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OC 13095698 QNNVTVRXABPDHJ-CPNJWEJPSA-N 439.943 4.312 50 40 IIGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1 16064877 LKWVLNDCNCVMCG-UHFFFAOYSA-N 441.512 4.424 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 408568500 JWFQGNZFBBEVLT-XNPADOQNSA-N 429.523 4.268 50 40 IIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1 408718577 AXXQSTITWICXEZ-RAVOPELCSA-N 428.488 4.397 50 40 IIGB O=C(N/N=C/c1ccc(Br)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409006097 LWLPMVYJPHJFHO-YDZHTSKRSA-N 448.748 4.105 50 40 IIGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(C(N)=O)cc1 409021494 KHHNHDQTLGEIQS-ZRGSRPPYSA-N 434.883 4.357 50 40 IIGB CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1 409368879 RABSNVPCCBEYTG-WJDWOHSUSA-N 433.245 4.297 50 40 IIGB CCn1c(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 864010 MFQTUUYSSUIQJD-WYMPLXKRSA-N 433.459 4.226 50 40 IIGB CCO[C@H](CCl)/[S@](=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1[N+](=O)[O-] 6233839 PXEYAOOAMLKHOZ-QLXKLKPCSA-N 430.935 4.054 50 40 IIGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)COc1ccc(C)cc1 12629704 HEJICFVMZAEEIB-VFCFBJKWSA-N 445.519 4.474 50 40 IIGB O=C(CSc1cccc2cccnc12)NNC(=O)C(c1ccccc1)c1ccccc1 13134788 SVYVQYRATZEAMV-UHFFFAOYSA-N 427.529 4.306 50 40 IIGB COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1OC 28217841 CQZAXLLQZQIISE-PUFAJPFRSA-N 437.359 4.238 50 40 IIGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2)cc1Br 57585883 NRRFCAMVBZCMAO-VXLYETTFSA-N 426.108 4.374 50 40 IIGB O=C(Oc1ccccc1)c1cc([N+](=O)[O-])ccc1P(=O)(c1ccccc1)c1ccccc1 97951129 CLDKVIZAIYLURV-UHFFFAOYSA-N 443.395 4.453 50 40 IIGB Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1C 100101939 BYFPTGJYERUAIC-ZHZULCJRSA-N 432.351 4.049 50 40 IIGB O=C(O)c1ccc([N+](=O)[O-])c2c1NC[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 245231534 FGRUSOUYEDNLRK-JRUMGLEVSA-N 449.872 4.499 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409007352 OATQZKXBNAVATP-YUMHPJSZSA-N 445.519 4.484 50 40 IIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Br)OCO2 16401841 XLNDLMPWHBCYPO-IFRROFPPSA-N 441.734 4.215 50 40 IIGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(N)=O 59282215 SGNJAUAGQZNFBF-NTUHNPAUSA-N 436.103 4.183 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)cc1 408795897 NMABIIFJXPHEJC-OQLLNIDSSA-N 429.270 4.021 50 40 IIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C 408935644 GHDJJGBKDVSFCN-DHRITJCHSA-N 438.915 4.153 50 40 IIGB COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccc(C(=O)O)cc3)oc12 408961619 TZMREAWTEFWHJE-VULFUBBASA-N 444.443 4.483 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 409213816 URALSPWEMIOAFI-QNGOZBTKSA-N 428.492 4.433 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccc(Cl)c(C)c2)o1 649235 CISGMZQYAWLMHP-FQEVSTJZSA-N 428.872 4.465 50 40 IIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2N2CCOCC2)c1 3231057 XIZUJGFHUFRFAY-LFIBNONCSA-N 431.414 4.096 50 40 IIGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC(C)C)cc4)CC(=O)N32)c1 12275629 GHNHRSNAOJKAFS-GBXCKJPGSA-N 436.533 4.126 50 40 IIGB O=C(N/N=C(/CNC(=O)c1ccccc1Br)c1ccccc1)c1ccccc1 18191612 MGJIXNCYNQVRAG-QQTULTPQSA-N 436.309 4.013 50 40 IIGB COc1ccc(CSCC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)cc1 408871853 YGNPINOOAKLKQD-FOKLQQMPSA-N 429.929 4.289 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)cc(OCC)c3O)cc2c1 409189012 HCSKWGGBQFMFKD-JJFYIABZSA-N 447.285 4.462 50 40 IIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409381465 HBMLMPXSFCQUDQ-BOPFTXTBSA-N 447.407 4.391 50 40 IIGB COc1ccccc1/C=N/NC(=O)c1nn(Cc2ccc(Cl)cc2)cc1Br 1091857 ZSBASEWHGXLJCU-LSHDLFTRSA-N 447.720 4.120 50 40 IIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 1319611 QXXUTTPDQZKJBL-YSRRJJCPSA-N 435.318 4.206 50 40 IIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3csc(-c4ccco4)n3)cc2)cc1 12922476 PDXQQIAGMQWFTH-UHFFFAOYSA-N 439.518 4.301 50 40 IIGB CC(C)c1ccc(OCC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 13533263 WDWSVLFQVZIRLS-UWVJOHFNSA-N 444.123 4.457 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccccc1 19948856 PAUVYSLSDWJKHV-LKUDQCMESA-N 435.549 4.039 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC 408544537 WYHOMQGGWISEFB-AUWJEWJLSA-N 445.269 4.100 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1C 408661625 XLVKIWACZSKBDP-YLJYHZDGSA-N 431.891 4.219 50 40 IIGB COc1cccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)c1 409140563 JBSWCXUPKFNARG-DJKKODMXSA-N 426.108 4.293 50 40 IIGB CCn1c(C)nc2cc(C(=O)NNC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)ccc21 2662523 BKLVNOBLTANGFG-UHFFFAOYSA-N 447.564 4.109 50 40 IIGB Cn1nc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c2ccccc2c1=O 12791550 CIOUSGISGDYKBG-KRWDZBQOSA-N 427.835 4.405 50 40 IIGB CC/C(C)=N/NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 19926437 ZSHCOPKBKDEUBC-HYARGMPZSA-N 442.368 4.399 50 40 IIGB COC(=O)c1ccc(CSC2=C(C#N)[C@H](c3cccnc3)C3=C(CCCC3=O)N2)cc1 25422072 IANVOXYMEKVDSG-NRFANRHFSA-N 431.517 4.231 50 40 IIGB CC(C)c1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 39986439 HWTUYJHZRRMKQY-UQQQWYQISA-N 441.597 4.284 50 40 IIGB CC(C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408610573 OHXNYIGTJKPJQG-NUGSKGIGSA-N 442.730 4.201 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)ccc1Cl 409374949 CALCDSGEIMWJCR-DHRITJCHSA-N 425.872 4.339 50 40 IIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)c(C)c1 2194462 MMUMHALVBOAHQQ-NBVRZTHBSA-N 428.492 4.069 50 40 IIGB O=C(NNc1cccc(Cl)n1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 3041197 BJEDLBAOMMQIGM-UHFFFAOYSA-N 443.731 4.374 50 40 IIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 59333172 XLQKMTDSLFPVSC-SILNSSARSA-N 441.487 4.209 50 40 IIGB CCOc1cc(N(CC)CC)ccc1/C=C(\C#N)C(=O)NCc1ccc(OC)cc1OC 408882945 RWKLBAIECSYHCN-DEDYPNTBSA-N 437.540 4.172 50 40 IIGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(N2CCCCC2)o1 409000928 ZBEGABYCSHZMAP-CIAFOILYSA-N 436.375 4.416 50 40 IIGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)ccc1OC 409321310 FNPCAILYKACSGD-YSMPRRRNSA-N 448.475 4.135 50 40 IIGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 13644330 KUKNEFFHONZWTN-RZKQZQCBSA-N 432.332 4.166 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38650272 HOEPSLYHPWGDFY-QHCPKHFHSA-N 428.444 4.141 50 40 IIGB COc1ccc(N(C(C)=O)c2nc(/C=N/NC(=O)c3cccc(Cl)c3)cs2)cc1 48247826 ZWFMZCWIBADKKH-SSDVNMTOSA-N 428.901 4.254 50 40 IIGB Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)ccc12 50124348 HXDPYNFQYNXLIF-OAHLLOKOSA-N 447.516 4.040 50 40 IIGB N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(Br)c1 59678366 HUNXWQQULOUSAC-SDQBBNPISA-N 435.661 4.112 50 40 IIGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(I)c1 409393278 WTEKJKOFCDIFHA-WSDLNYQXSA-N 429.261 4.007 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC(=O)OC 1095520 MQEANFWFZFMDHJ-CXUHLZMHSA-N 428.872 4.145 50 40 IIGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 1894966 KKRFRMRQHJCOEL-UHFFFAOYSA-N 429.520 4.002 50 40 IIGB aggregator C=CCn1cc(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21 10118478 OCAAFFUGWYLMAQ-CIAFOILYSA-N 429.261 4.196 50 40 IIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 34745133 JTFFWIYIDQCIRW-SSDVNMTOSA-N 443.868 4.247 50 40 IIGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OC 408567330 LTUIJDPCQNESRR-YDZHTSKRSA-N 433.346 4.457 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC 408890482 UMALKXGORUYPCG-AWNIVKPZSA-N 446.257 4.229 50 40 IIGB N#C/C(=C\c1cc(Br)c(Sc2ncccn2)o1)C(=O)NC1CCCCC1 409098491 QDCHOMQXYWDFOY-FMIVXFBMSA-N 433.331 4.339 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)c1 409315689 OEINHJPBKIFEDF-WSDLNYQXSA-N 427.254 4.260 50 40 IIGB CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC 979654 LSPSPWDEFYFDIV-UFFVCSGVSA-N 441.709 4.039 50 40 IIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 3145848 IZIVDIFBHAOSQD-QNYONUPESA-N 438.487 4.103 50 40 IIGB COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)NCCc3ccccc3)c2)cc1 3309607 JWANPMCDOWOWOA-CJLVFECKSA-N 425.488 4.213 50 40 IIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O 13943666 CTNYFTGTTGFZFP-FMCGGJTJSA-N 425.828 4.150 50 40 IIGB C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)c1cc2ccccc2cc1O 100089659 SURKHSIAIDUVCK-ZMOGYAJESA-N 440.297 4.442 50 40 IIGB O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390831578 SPNGIXZVDISHKH-QAPCUYQASA-N 431.620 4.228 50 40 IIGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 408726107 PUQAIIVQHRUPDV-ZROIWOOFSA-N 448.260 4.244 50 40 IIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C 408940918 OSEHSCCQPKSHPJ-CVKSISIWSA-N 432.524 4.198 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409179218 KXZCIKXAMKFLAM-AFUMVMLFSA-N 428.448 4.370 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1 409336784 USGXYAQVOJTJIM-HNNXBMFYSA-N 427.913 4.059 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 716495 XRPSFZUBQWPRSH-QHCPKHFHSA-N 438.487 4.228 50 40 IIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(O)ccc1Br 725146 LORAIYRAEUJSOA-YDZHTSKRSA-N 425.282 4.351 50 40 IIGB COc1cccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)c1 1021267 JZUUACHDXNIMTO-WIGBRQBFSA-N 427.460 4.378 50 40 IIGB O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 13468451 AROOAZVHDKORCX-LSWCMOJNSA-N 442.302 4.233 50 40 IIGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 13619095 YKWYDEKXCATPLR-AWZALFRUSA-N 432.332 4.166 50 40 IIGB COc1cc(/C=N\NC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)ccc1O 85874389 DEUWQJZYYPJNES-CFRMEGHHSA-N 430.420 4.221 50 40 IIGB COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I 408964404 RJCRPRMVXHZMFS-ZVBGSRNCSA-N 448.182 4.083 50 40 IIGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 691136 KFOIWHLGECEKQJ-KKSFZXQISA-N 442.910 4.157 50 40 IIGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 8437797 FHIWHZPMJSCVRQ-VULFUBBASA-N 446.459 4.300 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(Br)o2)cc1 8722620 STQSVTTZFFYFRP-IZZDOVSWSA-N 440.091 4.037 50 40 IIGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 59473619 QANBOAIWNJLHBV-WYMPLXKRSA-N 448.972 4.444 50 40 IIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1 59473791 PGRCTSJXPDAFDW-ZMOGYAJESA-N 428.554 4.099 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 408780326 AZHORNVKFGGQNW-APSNUPSMSA-N 443.297 4.188 50 40 IIGB CCCCOc1cc(Br)c(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1OC 409197442 FLHHVPMAWQJSSQ-PTZPRWATSA-N 444.329 4.394 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc(Br)c1O 1051843 YONQNNKGUGXBBV-WYMPLXKRSA-N 442.313 4.269 50 40 IIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccc(C)c3)cc2)CC1 20240570 CWVWSNCLWHSBIC-TURZUDJPSA-N 442.563 4.090 50 40 IIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 408771354 FVVYGZWISKBJSP-YZSQISJMSA-N 449.576 4.464 50 40 IIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1 408799346 YQQZTOPEJIOXDW-AWNIVKPZSA-N 449.688 4.420 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccs2)ccc1OCC(=O)Nc1ccccc1C 409009540 GBRUFMFDFXSIBF-OYKKKHCWSA-N 437.521 4.237 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 409204684 JJGPOOYJKGWGKM-KTCKORJGSA-N 435.871 4.413 50 40 IIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(Br)c2)cc1OCC 409319211 BZSBDCSYBJSRBN-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)CCN2CCCCl 2233570 HZPGXZAFNSYYLK-QGOAFFKASA-N 444.318 4.202 50 40 IIGB CCOc1cc(Br)cc(/C=N/NC(=O)c2ccccc2Br)c1O 9288125 WEBCWNCESHSWTM-DJKKODMXSA-N 442.107 4.080 50 40 IIGB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 18055445 PETMSDKRCJYQDD-GFCCVEGCSA-N 433.892 4.140 50 40 IIGB C[C@H](NC(=O)/C(C#N)=C\c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 33412990 IEYZYQOOHGHJSU-RWZYYMRUSA-N 444.560 4.431 50 40 IIGB COc1cc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)ccc1I 408747197 KJBVEULAKVQIPT-ZVBGSRNCSA-N 448.182 4.083 50 40 IIGB COc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O 408921021 BHTDCQKTUOQKFJ-UHFFFAOYSA-N 437.606 4.238 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cccc(C)c2C)cc1 409026249 JWROCEJGUIMRTO-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCCN1CCCCC1 655075 NPYRKPWGQDDCRN-OVVQPSECSA-N 447.535 4.183 50 40 IIGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3C2)c(OC)c1 2357136 JUZSYTAZCXFLOL-INIZCTEOSA-N 425.485 4.062 50 40 IIGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1 6444267 NJVFWXAUGIDIKC-QFIPXVFZSA-N 433.533 4.236 50 40 IIGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4cccc(C(=O)O)c4)cc3)oc12 9324108 HVEDOGZROGGWME-VULFUBBASA-N 444.443 4.483 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccco1 19901175 UBTQKXOXQIZNIQ-JOCHJYFZSA-N 449.532 4.385 50 40 IIGB CCOc1cc(/C=N\NC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1O 32113222 WRSTYHHIBXUSAR-JJFYIABZSA-N 435.318 4.206 50 40 IIGB O=C(COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1)Nc1ccccc1F 33562263 BFFBPAMEIMAPFO-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc1 95351638 YKDHYRFEHZLYRU-XSFVSMFZSA-N 443.576 4.313 50 40 IIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)c1C 408813244 OWDROTURBWUAQS-GDNBJRDFSA-N 430.302 4.041 50 40 IIGB C#CCOc1c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)cc1OC 408818866 ZCRXTQDKUKGYMQ-MHWRWJLKSA-N 425.282 4.324 50 40 IIGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 408891366 PLCZQXYXQTVLFJ-UKTHLTGXSA-N 434.364 4.317 50 40 IIGB Cc1cc2c(s1)N(CCl)C1=CC=C[C@@H](Cl)[C@]1(Cl)N=C2N1CCN(C)CC1 1569985920 RFFXZIQZZCVTOQ-KDOFPFPSSA-N 431.820 4.063 50 40 IIGB O=C(CCCCCC(=O)N/N=C/c1c[nH]c2ccccc12)N/N=C/c1c[nH]c2ccccc12 2330611 PYGZXHBFAMQTQN-LPHFKDDMSA-N 442.523 4.200 50 40 IIGB Cc1sc2ncnc(SCC(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)c2c1C 9579630 SIOFKVDIQGTUPQ-UHFFFAOYSA-N 444.626 4.154 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1OC 9693261 AWXKUZFHNVXQBU-INIZCTEOSA-N 439.512 4.452 50 40 IIGB COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1OC 17096958 IHERGFGOTQGVHK-PBGVMVHZSA-N 430.508 4.495 50 40 IIGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccccc1C(F)(F)F 59435520 QQKNUWHBYPYXAI-GZIVZEMBSA-N 425.208 4.188 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 408879020 DTNYBJVMHDFDQV-GXDHUFHOSA-N 434.364 4.317 50 40 IIGB O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc2c(c1)OCO2 8781425 DXFBZFJQMFJHLK-AZPGRJICSA-N 449.466 4.249 50 40 IIGB O=C(CNc1ccc2ccccc2c1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 9380757 CZRLETIBISPKCO-QVTSOHHYSA-N 448.526 4.362 50 40 IIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1 12274972 YAIPOTRJBYTPPD-LAUBAEHRSA-N 446.450 4.357 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC 28605464 WFBHQEMSLYTYAM-LICLKQGHSA-N 429.314 4.470 50 40 IIGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32255981 ASEMWDBIVXAJOT-JOCHJYFZSA-N 431.511 4.416 50 40 IIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C 34771582 CLTXFCLWDOQVQK-BOPFTXTBSA-N 436.468 4.107 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 408760486 ZLVHNLGYIPMKLF-QGOAFFKASA-N 443.415 4.368 50 40 IIGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(Br)cc3)cc1)C(C#N)=C(N)O2 409141940 JRXNBLSUXDHFNB-LJQANCHMSA-N 437.297 4.278 50 40 IIGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 409315661 JOPPWYSVUNWEAE-MRXNPFEDSA-N 429.904 4.498 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1Cl 409326657 MUZUVLBAOPZKQY-INIZCTEOSA-N 441.940 4.368 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409360918 NZIGXQPGNQFVCX-MYYYXRDXSA-N 433.464 4.184 50 40 IIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 409369076 AIMACQFUEGTSMV-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB C[C@@H](C(=O)N/N=C/c1cccc2ccccc12)n1cnc2sc3c(c2c1=O)CCCC3 1783737 NZKOHLDOUZJVNZ-WEPAEKJRSA-N 430.533 4.201 50 40 IIGB COc1cc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)ccc1OCc1ccc(C)cc1 9374528 SZLHXUBEZLHJNG-AFUMVMLFSA-N 430.464 4.330 50 40 IIGB O=C(CCSCCC(=O)N/N=C\C=C/c1ccccc1)N/N=C\C=C/c1ccccc1 17149414 XJIDPSLTNBKHTD-PAAUBIOBSA-N 434.565 4.131 50 40 IIGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 101487516 AOUHTGCVZORNJP-WYMPLXKRSA-N 438.311 4.074 50 40 IIGB COc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br 409188364 HAPGMICRTAZRRK-WDZFZDKYSA-N 428.124 4.186 50 40 IIGB Cc1cc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C(C)C)cc1Br 1429106 RRTSORXCMXSCHL-UFFVCSGVSA-N 434.290 4.318 50 40 IIGB CC(C)NC(=O)[C@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C 2667721 JEAXZBDSWRBFJL-CKLFPEKLSA-N 446.021 4.197 50 40 IIGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br 408752012 BFZQFKDCDYDVNI-DNTJNYDQSA-N 430.085 4.445 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2cccc(F)c2)c(OC)c1 716155 CUGLGCJVQMLXIH-JOCHJYFZSA-N 438.455 4.058 50 40 IIGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)c(=O)n(-c2ccccc2)n1C 8768114 XNBVIFKWFLRZKJ-NBVRZTHBSA-N 442.450 4.429 50 40 IIGB CCn1c(SCC(=O)N/N=C\C=C/c2ccccc2OC)nnc1-c1ccc(C)cc1 12463937 IKWFSRWLJOIAIH-BQEWICAISA-N 435.553 4.190 50 40 IIGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1cccc(I)c1 20248053 QLQVJTYLOWTYJJ-ZXOFLVKFSA-N 438.334 4.453 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 21964844 BFTOLXXLRPRGGX-AZVXTCMLSA-N 429.476 4.450 50 40 IIGB Cc1nc(CC(=O)NNC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)cs1 32795043 XSWKEJMKIFWQEU-HXUWFJFHSA-N 428.583 4.299 50 40 IIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 59516291 IJBHFDSWHFTNPZ-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2=O)cc1C 409150547 CQOBEILBHZRDNP-GRIZMQLISA-N 441.531 4.386 50 40 IIGB O=C(N/N=C\c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1 409189875 ULUCVZOGMQKXRM-WNFQYIGGSA-N 442.844 4.028 50 40 IIGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 690796 ZGWCCCQTRLXSAJ-IIBYNOLFSA-N 442.910 4.157 50 40 IIGB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)n1 2645380 SWKGVRFXTSLQMG-UHFFFAOYSA-N 438.900 4.068 50 40 IIGB CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(Br)cc1 9289429 WLIRITSSLCAMJX-RGVLZGJSSA-N 440.135 4.303 50 40 IIGB CC(=O)Oc1cc(Oc2ccccc2)c(NC(=O)CCl)c2c1C(=O)c1ccccc1C2=O 15106424 KEVOVHGFTGXEDJ-UHFFFAOYSA-N 449.846 4.357 50 40 IIGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CC3(C)OCCO3)c2C)c1 20243833 GYRARQUBDYCIHH-FSJBWODESA-N 448.361 4.077 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1O 59432628 FZLVNEFAYUGKEP-VGOFMYFVSA-N 448.260 4.168 50 40 IIGB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/NC(=O)c1ccc(OC)cc1 102476648 ORGIPKADJQOWFP-BSYVCWPDSA-N 444.354 4.419 50 40 IIGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccccc3)ccc2OC)cc1 408888251 XXEIDMKEDCXYHK-XMHGGMMESA-N 428.444 4.469 50 40 IIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(I)o2)c1 408995926 CAZBHDGCULCXLF-RGVLZGJSSA-N 433.249 4.056 50 40 IIGB CC(C)CNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 9328133 DESOSGHDFMXJAG-DQRAZIAOSA-N 428.536 4.181 50 40 IIGB CCOc1ccccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408648838 KIECBTIZHJYKJC-JXFKEZNVSA-N 447.890 4.001 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)cc2OC)c1 408741649 MWVBCOBHHUROAE-RIYZIHGNSA-N 431.286 4.411 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 408884798 ZSRRZKPCLHUAPW-DHRITJCHSA-N 438.915 4.153 50 40 IIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 2309461 BJZKRCGHVITCLO-OAQYLSRUSA-N 435.505 4.089 50 40 IIGB BrC[C@@H](Br)[C@@H]1CC[C@@H](Br)[C@H](Br)C1 8585919 PQRRSJBLKOPVJV-WCTZXXKLSA-N 427.800 4.472 50 40 IIGB in-vitro O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)cc(Br)c1O 9289420 OFYXDFSVSSCVFE-UFWORHAWSA-N 446.526 4.263 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(OC)c2)cc1 15219891 ZWHJUHCLXAPYSJ-ZROIWOOFSA-N 431.286 4.411 50 40 IIGB CC/C(C)=N/NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 19926486 CDRPQKIJVVUNSC-LPYMAVHISA-N 442.368 4.475 50 40 IIGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC 408891198 MWYJXLRHEHEUFU-NTUHNPAUSA-N 431.832 4.210 50 40 IIGB O=C(N/N=C/c1ccccc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408974239 XUQLYKBPVQWJOI-TUIZQPODSA-N 429.545 4.267 50 40 IIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)o1 409000919 ZABFNPOKOQSMDP-WPWMEQJKSA-N 430.552 4.448 50 40 IIGB O=C(CCCOc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/C=C/c1ccccc1 2177706 DGTAYEXPCHZZQK-ODMLQEESSA-N 434.323 4.084 50 40 IIGB O=C(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl 3028979 SFIQVWPFKOALNQ-NZRSMXNRSA-N 446.121 4.291 50 40 IIGB C/C(=N/NC(=O)CC(C)C)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 12401285 CPRGVHNVBBZCNS-RMORIDSASA-N 425.436 4.093 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Br 20760261 GQOCJRONDDGCTQ-VXLYETTFSA-N 425.124 4.042 50 40 IIGB Cc1ccc(O[C@@H](C)C(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 23397289 NHRBPPYTKAKUEF-NSHDSACASA-N 440.681 4.237 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 59500467 DJJXUYNTAVWRCA-MYYYXRDXSA-N 447.447 4.285 50 40 IIGB CCCC1=C(C(=O)OCC)[C@H](c2c(C)nn(-c3ccccc3)c2Cl)C(C#N)=C(N)O1 808804 JOMPOPOEVBEWNN-SFHVURJKSA-N 426.904 4.259 50 40 IIGB COc1ccc(-c2cc(C(=O)NNC(=O)c3ccccc3F)c3ccccc3n2)cc1OC 2651229 CEZWLRJHKGSWRZ-UHFFFAOYSA-N 445.450 4.133 50 40 IIGB Cc1c(NC(=S)NC[C@@H](Cl)Cc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 3051936 RRCIYWHFUQPGHL-INIZCTEOSA-N 449.407 4.274 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 8384165 DASKFRDCYOVNDN-SSDVNMTOSA-N 442.368 4.033 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)c2C)c1 8811070 JIOLIXNGUXMSTM-CVKSISIWSA-N 449.507 4.052 50 40 IIGB Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)NNC(=O)c2cccs2)cc1 9882941 ORMIUIBUZFFXJB-UHFFFAOYSA-N 434.546 4.246 50 40 IIGB COc1cc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)c(OC)cc1Cl 13152160 XYXNNADAKCNYMD-WYMPLXKRSA-N 438.311 4.074 50 40 IIGB O=C(COc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 14920294 XAHJLGYVWLJLOT-PCLIKHOPSA-N 432.480 4.267 50 40 IIGB Cc1cc(C(=O)N/N=C/C=C/c2cn(Cc3ccccc3)nn2)c(C)n1-c1ccc(F)cc1 17414272 CYGHENIZCOXQHK-RBPSKNBOSA-N 442.498 4.302 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccco1 19901177 UBTQKXOXQIZNIQ-QFIPXVFZSA-N 449.532 4.385 50 40 IIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 33402032 QPEAOBMRNMMGJA-LGJNPRDNSA-N 439.874 4.455 50 40 IIGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2F)c1)C(=O)NCc1ccccc1 33789024 UNRUYTWVZNCUKI-DEDYPNTBSA-N 429.451 4.067 50 40 IIGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c1C 223169445 WWMOEVWYMFFTFZ-JWGURIENSA-N 427.504 4.147 50 40 IIGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1O 408568475 JOBWMDXVFKUKJY-WMZJFQQLSA-N 435.196 4.085 50 40 IIGB COc1cccc(/C=N\NC(=O)Nc2ccc(F)cc2)c1OCc1ccc(C(=O)O)cc1 409187193 NEYALIGDEDBEPH-MXAYSNPKSA-N 437.427 4.267 50 40 IIGB COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 3112748 NGPNQZJMKVXHTJ-YZSQISJMSA-N 431.492 4.143 50 40 IIGB biogenic Cc1cc(SCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc12 9492002 OGCGOJKKUUOXFY-UHFFFAOYSA-N 430.489 4.020 50 40 IIGB O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2Br)c1)c1cccs1 10060105 LOOUECOMKHOXSP-CIAFOILYSA-N 429.295 4.494 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2ccccc2)cc1OC 28217700 BEVXSIYLYITICZ-CIAFOILYSA-N 435.343 4.265 50 40 IIGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc2ccccc2c1 100501184 WKKXVOBOSZBQMM-KBCNZALWSA-N 449.142 4.122 50 40 IIGB CCCCCCCCCCC(=O)NNC(=O)c1c(O)n(CCC)c2ccccc2c1=O 136329924 LWNCXDVMYZHOPN-UHFFFAOYSA-N 429.561 4.409 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br 408676122 FQQGJARDBGCTND-HZHRSRAPSA-N 428.330 4.378 50 40 IIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 408792843 LRXISWAXMAXEDT-CXUHLZMHSA-N 443.297 4.163 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)cc1 408883748 WITMJHIYTBDXSK-NBVRZTHBSA-N 434.473 4.014 50 40 IIGB Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(I)o2)cc1 408953007 NUTDIUMWRHYBOX-APSNUPSMSA-N 448.058 4.111 50 40 IIGB Cc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)c(C)o1 3222137 VPIDYYCNZWCJIT-VULFUBBASA-N 442.475 4.284 50 40 IIGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1cccs1 9403578 KRCPWYWACGOZHK-CJLVFECKSA-N 427.551 4.320 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)=O 13387975 ULKCTTNUMHGAEA-RIYZIHGNSA-N 429.816 4.118 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc(C)c1 59334396 UFRVQOSFGDYQCF-MFOYZWKCSA-N 429.314 4.340 50 40 IIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 408933375 IYXBWXJDEILEHZ-WGOQTCKBSA-N 426.476 4.347 50 40 IIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCC(=O)O 409064323 CNTCLTSDYBXNRY-UDWIEESQSA-N 434.492 4.440 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 409233677 HFNCKAHSYMBWTI-HMAPJEAMSA-N 427.504 4.479 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 9469619 RJUSYWAXZNUDND-KBKYJPHKSA-N 435.837 4.415 50 40 IIGB O=C(COc1ccc2cc(Br)ccc2c1)NNC(=O)c1ccc(Cl)cc1 9871331 ADQTZUUJKVBRHS-UHFFFAOYSA-N 433.689 4.096 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 9905631 UUDPGMOLGWKHFP-NTUHNPAUSA-N 435.263 4.401 50 40 IIGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccc(Cl)cc4Cl)ncnc32)c(C)c1 10386976 TXLKUPNQOGIVMX-UHFFFAOYSA-N 427.295 4.496 50 40 IIGB CCCOc1ccc([C@H]2[C@H]3CN(CCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 16037938 XUODHVFVEHTAMS-URXFXBBRSA-N 445.567 4.009 50 40 IIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28214091 WRFIUHDKLLYROF-LEBHPONQSA-N 433.533 4.335 50 40 IIGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCC(=O)O 33633168 YLYSYATXZWMWOX-MLPAPPSSSA-N 442.269 4.170 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1 58912993 HUJUVJMQVLFJTK-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB CCOc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408750386 MEHWDQCAVJFIAP-WGOQTCKBSA-N 438.911 4.134 50 40 IIGB N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408791024 SLOMXTVPCWDETI-XDHOZWIPSA-N 443.415 4.418 50 40 IIGB CCn1c(SCC(=O)N/N=C\c2c(O)ccc3ccccc23)nnc1-c1ccc(C)cc1 12463680 YSSVAPBPZOKAPG-QFEZKATASA-N 445.548 4.375 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)o1 15224632 YIKYVMZWKNZQJT-GXDHUFHOSA-N 433.376 4.107 50 40 IIGB Cc1ccc(/C=C(\C#N)S(=O)(=O)c2nnc(/N=C(\O)c3ccc(Cl)cc3)s2)cc1 27664624 BTFXGYICOXGMGH-MHWRWJLKSA-N 444.925 4.475 50 40 IIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3/CCC[C@@H](C)C3)cc2)cc1 35169657 MWHDKIOIRJHPEZ-LTUQMTLXSA-N 429.542 4.182 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2C)cc1 58887859 RWCFCWXRABZFRD-FXZATJRASA-N 447.535 4.235 50 40 IIGB CCCC(CCC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 59515874 USTPBONAYVXNQX-UHFFFAOYSA-N 429.586 4.258 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C)cc(C)c3)=C2C#N)cc1 409312628 MYYQCIJUDGZSSV-HXUWFJFHSA-N 435.549 4.413 50 40 IIGB N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c(C(=O)NC3CCCCC3)cc([N+](=O)[O-])cc21 3138257 LDNFMNGTHJVXKJ-UHFFFAOYSA-N 443.419 4.395 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)[C@H]2Oc3ccccc3O[C@@H]2c2ccccc2)cc1OC 33534220 SXMHIRMDFRPNMA-DWYQAMBJSA-N 432.476 4.125 50 40 IIGB O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1cc(Br)ccc1O 33534458 BCYXJAYFZMGXOC-QRVIBDJDSA-N 425.282 4.498 50 40 IIGB C[C@@H]1CCCC/C1=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 59472958 PLZXQISUYNDZCP-MLVIZHJXSA-N 433.961 4.218 50 40 IIGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)cc(Br)c1O 408727064 XBMVYPVEWWJMIO-IEGZNBFOSA-N 430.140 4.194 50 40 IIGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2Br)cc1 408737856 YPVZRDZKUWBNOM-AFUMVMLFSA-N 448.276 4.304 50 40 IIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2C2CCCCC2)cc1 1454733 WSMOMPUWXJGQRM-MFKUBSTISA-N 434.569 4.396 50 40 IIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(C)cc1 2312328 VHACOBVZTNPBBK-RTWAWAEBSA-N 449.532 4.253 50 40 IIGB Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)cc1 12447787 JPHZXTYLCUYRJK-AREMUKBSSA-N 442.494 4.181 50 40 IIGB Cc1ccc(-c2nc(CC(=O)NNC(=O)CSc3cccc4cccnc34)cs2)cc1 12972100 JXYRUDVWGAULSF-UHFFFAOYSA-N 448.573 4.149 50 40 IIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408755121 MMVHZXWOKYQYJG-QGOAFFKASA-N 443.415 4.368 50 40 IIGB C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2cccc(C)c2C)c(OC)c1 11990937 GLLXLEMWDRYFPF-QNGOZBTKSA-N 448.519 4.286 50 40 IIGB C[C@H](Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C(=O)NNC(=O)c1ccccc1 12738208 ABDOYFIMTDBWGY-INIZCTEOSA-N 439.462 4.140 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OCC)c2)cc1 16440143 SVAUNERLHPXHGT-MHWRWJLKSA-N 428.872 4.470 50 40 IIGB Cc1cc(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)ccc1Cl 32581112 XKXXMCFLRWGBMB-IFRROFPPSA-N 432.101 4.299 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(OC)c1 33699758 IRBMSORNISGHQL-RWPZCVJISA-N 438.487 4.342 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OCC 408880193 DWVOLJBXHKNOAS-RQZCQDPDSA-N 444.915 4.378 50 40 IIGB COc1cccc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)oc12 409208048 AKLOWQPVPHNPQT-DHRITJCHSA-N 431.448 4.311 50 40 IIGB Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CCC2 1421949 AWUJBOZJSSIYSD-XMMPIXPASA-N 448.885 4.199 50 40 IIGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c(OC)c1 2200968 ZDFHHHKIWFHEDV-INIZCTEOSA-N 425.485 4.062 50 40 IIGB Cc1cccc(NC(=S)NNC(=O)c2cc(Br)c(Br)s2)c1 2793930 CMSILHNHHLPLAP-UHFFFAOYSA-N 449.193 4.213 50 40 IIGB O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1cccc(Br)c1 9668293 ARSIFQKTBCBFQZ-CNHKJKLMSA-N 432.499 4.335 50 40 IIGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 12985349 HMFFQNGNHVHMJZ-UHFFFAOYSA-N 430.430 4.263 50 40 IIGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccccc3)s2)c1 13617971 ONMHHTXMKDRZFV-STZFKDTASA-N 444.607 4.472 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(Br)cc1 14407414 KWQQUYIWOFIFEI-WSDLNYQXSA-N 429.270 4.394 50 40 IIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCOC)c(C)c1 16713608 MNHWRYPEDVPZRQ-CAPFRKAQSA-N 442.519 4.082 50 40 IIGB Cc1ccccc1C(=O)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 40144678 APJKVEGTLKFIJT-UHFFFAOYSA-N 429.270 4.004 50 40 IIGB CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(C)c2ccccc2c1=O 98048816 BQWNHQWRCGGRCH-UHFFFAOYSA-N 429.561 4.316 50 40 IIGB O=C(N/N=C/c1ccccc1F)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408733071 VQLHYKFPHCQLSW-UVHMKAGCSA-N 446.507 4.229 50 40 IIGB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 409198664 JGRSEYOSTSODLG-UIMCMNAESA-N 446.576 4.327 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409258277 SPHGAOWRITYIRA-QFEZKATASA-N 437.883 4.130 50 40 IIGB O=C(c1ccccc1F)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 711696 DWHOQTKOVYCBCA-UHFFFAOYSA-N 440.474 4.440 50 40 IIGB Cc1cc2cccc(C)c2nc1SCC(=O)NNC(=O)c1ccc(Br)cc1 12496437 ZXWQOJXVPWRJIP-UHFFFAOYSA-N 444.354 4.167 50 40 IIGB CCOc1cc(Cl)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408914892 ZMKKXSHCLYHBQD-WGOQTCKBSA-N 438.911 4.134 50 40 IIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(Br)c2)cc1OC 409303635 NWGYWPJUZSEJGS-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)N3CCOCC3)cc2Br)cc1 408915520 WXFUFOSHWHGIKD-UVTDQMKNSA-N 433.327 4.268 50 40 IIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc21 409221944 BSWMEOLTOCIGSQ-XODNFHPESA-N 440.503 4.289 50 40 IIGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SCCS1 409225852 RHDQNBAIRJZTAF-FYJGNVAPSA-N 431.539 4.210 50 40 IIGB CC1(C)Cc2nc(-c3ccccc3)nc(NNC(=O)c3ccc(Br)o3)c2CO1 9215701 KBXYELDBGIAXTG-UHFFFAOYSA-N 443.301 4.107 50 40 IIGB O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 32124931 DVKULUHTUMTOIV-QRVIBDJDSA-N 435.461 4.343 50 40 IIGB COc1cc(/C=N\NC(=O)c2n[nH]c3c2CCCCCCCCCC3)cc(OC)c1OC 32519355 DVGZZMJHIDGJRS-XYGWBWBKSA-N 442.560 4.419 50 40 IIGB COc1cc(Cl)c(C)cc1NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 40151222 BUGVMSDBGUCBIX-UHFFFAOYSA-N 438.915 4.266 50 40 IIGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1c(C)cccc1C 408706757 DEYDPOXRRLVMKP-ZMOGYAJESA-N 445.361 4.176 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1O 408775076 YNVGIBTXXFYJSV-AFPJDJCSSA-N 431.208 4.336 50 40 IIGB C#CCOc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Br)cc1OC 408807109 CBJZPQHXKYYPKO-SDKQKANHSA-N 431.330 4.072 50 40 IIGB CCOc1ccc(Nc2nc(=O)[nH]c3ccccc23)cc1CN(CCCl)CCCl 1731952 FZGQETFPEJFQFZ-UHFFFAOYSA-N 435.355 4.345 50 40 IIGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 3321924 JXEKIZJXPDPQSM-UHFFFAOYSA-N 439.393 4.084 50 40 IIGB O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 12549605 GFXHPMLARDQBIY-UHFFFAOYSA-N 446.466 4.086 50 40 IIGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 15018822 QCJWTJKNAPBQEM-XDJHFCHBSA-N 427.460 4.258 50 40 IIGB Cc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)cc1C 16311988 FNWZHEUMAZNDPQ-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB Cc1c(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)oc2ccccc12 17448614 JTIZOHJLJCREMB-UHFFFAOYSA-N 430.460 4.274 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)c1 20760179 MCQWHLYKBCGIHT-WSDLNYQXSA-N 427.254 4.260 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 59483249 SCCOFSYZOQIPDJ-HZHRSRAPSA-N 446.345 4.497 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(C(C)C)cc2)cc1 408777035 UTNHDEUOCQACCZ-UHFFFAOYSA-N 427.570 4.360 50 40 IIGB CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2o1 408892273 AHTNBOAYWVOFEV-KEBDBYFISA-N 434.315 4.231 50 40 IIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 409184516 LOEKRDMJHNZPSP-DHRITJCHSA-N 443.488 4.384 50 40 IIGB O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccco2)c1 409226107 SDFSZPIRQPIUSO-UHFFFAOYSA-N 443.415 4.108 50 40 IIGB C=CCOc1ccc([C@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CCC3)cc1OC 2179309 WMRMMTAOYOBLBP-DEOSSOPVSA-N 442.519 4.387 50 40 IIGB CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 14029087 OPDUENDOIGIHQU-UHFFFAOYSA-N 433.961 4.248 50 40 IIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F)o1 14396130 GUTUXGNYLBEYHF-ONAMSPKSSA-N 440.271 4.236 50 40 IIGB COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1C#N 15018614 AFLYKKNDQJVYHE-LGJNPRDNSA-N 447.564 4.058 50 40 IIGB CCCCCCCCCC(=O)NNC(=S)Nc1sc2c(c1C(=O)OC)CCC2 97944597 ZFWSOIWLJDQHCD-UHFFFAOYSA-N 425.620 4.482 50 40 IIGB C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 104716873 MMFBVKOHORXWRX-KAMYIIQDSA-N 445.331 4.110 50 40 IIGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCC(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408602132 AOYVJHXEVAYOJC-LJQANCHMSA-N 426.542 4.058 50 40 IIGB CC(C)Oc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408978481 IQZAPBZGOWJHLV-JZZXMACJSA-N 429.520 4.485 50 40 IIGB CCOc1cc(C(=O)N/N=C2/C(=O)Nc3ccc(C(C)C)cc32)cc(OCC)c1OCC 3274956 FYLLKLQXUXCZBR-UHFFFAOYSA-N 439.512 4.092 50 40 IIGB Cc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)c1ccc2ccccc2n1 12763409 YCKTVGGLEJPZNZ-UHFFFAOYSA-N 432.505 4.207 50 40 IIGB N#C/C(=C\c1cccn1CCOc1ccc(Br)cc1)C(=O)NCc1ccco1 13897263 RUPSMUNPORXVHM-DTQAZKPQSA-N 440.297 4.146 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 20344759 OBBCTQBQGHWNGU-FSJBWODESA-N 426.860 4.185 50 40 IIGB C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1O 108993179 ACJSRQWBIBZUJN-WSDLNYQXSA-N 425.466 4.406 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c1 408934419 CRSWDBSMSWHGAR-DHRITJCHSA-N 438.915 4.153 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 409245014 MCWKHQPFMPZZHX-TUTDSIAXSA-N 433.291 4.330 50 40 IIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCCCC3)c(Oc3ccc(Cl)cc3)nc12 2409848 DJQZKMVOVZYPCW-SAPNQHFASA-N 448.910 4.368 50 40 IIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(F)c(Cl)c2)C2=C1C(=O)CCC2 13567766 CDDHPBALYNLQBK-DEOSSOPVSA-N 448.885 4.199 50 40 IIGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 16136996 XIZWLZKLXFDKSY-YZSQISJMSA-N 430.464 4.325 50 40 IIGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1ccc(Br)cc1 20238278 GZMZLBSUVYCSPQ-INIZCTEOSA-N 430.327 4.257 50 40 IIGB CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 20764701 BJFFPKSPQMKLGI-LPYMAVHISA-N 435.318 4.409 50 40 IIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 408791278 YEIKZYYNYOHMQT-LHLOQNFPSA-N 449.576 4.293 50 40 IIGB Cc1cccc(C(O)(C(=O)N/N=C/c2ccc(Br)cc2)c2cccc(C)c2)c1 3064672 PMRAGJSYWFICJD-MFKUBSTISA-N 437.337 4.452 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@@H]1c1ccccc1Cl 20170524 KYTPQYQQTDLRKR-IBGZPJMESA-N 432.929 4.061 50 40 IIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccncc1 30750405 GDPQPRBCRSCOPA-UKWGHVSLSA-N 435.987 4.121 50 40 IIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1 83293885 FRCYFHPAXSTBJO-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Cl)c2)N2C(=N1)SC(C#N)=C2N 408604002 IANMJPOVIAKHKS-KRWDZBQOSA-N 432.933 4.077 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1 409330581 BPCSALNUXCFHFO-QGZVFWFLSA-N 441.940 4.368 50 40 IIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)ccc1OC 8812709 CIUOWGYAZAZYBN-ZVHZXABRSA-N 437.293 4.387 50 40 IIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(I)cc1 8842924 HMIWHOMYHZZZER-UFFVCSGVSA-N 432.183 4.003 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(OC)c2OC)cc1 408744692 MPIZIPKQCBKIFD-ZROIWOOFSA-N 431.286 4.411 50 40 IIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408891442 QNMZVKOOZVWIGC-GXDHUFHOSA-N 434.364 4.317 50 40 IIGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Br)o2)cc1 409000022 WPDBJJDUXGGJEI-WSDLNYQXSA-N 426.270 4.367 50 40 IIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 1107254 YQHFJIGHKYOGBP-IBGZPJMESA-N 427.372 4.179 50 40 IIGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 13619097 YKWYDEKXCATPLR-FABDANFUSA-N 432.332 4.166 50 40 IIGB O=C(NN=Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1)NC1CCCCC1 15939034 ZNFBGELEQIXDIA-UHFFFAOYSA-N 426.473 4.018 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(C(=O)O)c1 408816930 KHWCXMOYAUDJNS-MXAYSNPKSA-N 437.427 4.267 50 40 IIGB Cc1c(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc2n1C 409004620 XTTCLRNNNWTWPV-WVWWYIFQSA-N 438.531 4.498 50 40 IIGB Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2)c1 409035273 RUCJLLVRSAWHIM-SDNWHVSQSA-N 434.879 4.342 50 40 IIGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)CC2)cc1 22931254 RPZCNUWQKPSUEG-TURZUDJPSA-N 442.563 4.055 50 40 IIGB COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1Oc1nc(Cl)ncc1F 33352783 SSTBNAUDKWFALW-OPVMPGTRSA-N 435.242 4.487 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 35227261 WLCJYLMRDBARHE-SSDVNMTOSA-N 426.816 4.231 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCC(=O)OCC 59335719 QZLJCXMFJGMVIZ-MOSHPQCFSA-N 434.492 4.220 50 40 IIGB CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(N(CC)CC)cc2)sc2c1CCC2 1787778 FDXIIEFUBOQTCF-OEAKJJBVSA-N 428.558 4.415 50 40 IIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247190 QEQJIMBQNYBBSW-PODSUIKTSA-N 433.508 4.364 50 40 IIGB C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Br 33626691 UXRZSKPMSZUEQI-QRVIBDJDSA-N 441.281 4.370 50 40 IIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 58913765 IQHABGACVIMIDF-CVKSISIWSA-N 432.524 4.198 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(C)cc1 59334395 VXSYKKNUHMEERI-MFOYZWKCSA-N 429.314 4.340 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408785277 XWZGESQXWNNPGG-SXGWCWSVSA-N 444.285 4.368 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O 408787756 FUBNTJRQELKWKT-NTUHNPAUSA-N 435.263 4.401 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(O)c1 12573792 CGGJJYBMFSFQEC-BUVRLJJBSA-N 430.501 4.141 50 40 IIGB Cc1c(Br)c(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccccc1 20243701 XDUJFSUIFLJYLO-YDZHTSKRSA-N 426.314 4.386 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1c(C)cc(C)cc1C 408735025 MIUSXJAAPIFSLJ-UHSICZIDSA-N 434.536 4.402 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)cc1 408744629 ZAZOAIPUTOXFDR-DHRITJCHSA-N 439.899 4.063 50 40 IIGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)cc1 1104605 SSRFWMIONAWZPY-PXLXIMEGSA-N 425.488 4.236 50 40 IIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(I)cc2)c1 1444183 CNFYEYJGGVHRGC-SRZZPIQSSA-N 436.293 4.252 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2370382 KUKNEFFHONZWTN-IEOAWGNMSA-N 432.332 4.166 50 40 IIGB COc1cc2c(cc1/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1)O[C@@H](C)C2 14183174 VMIUQNDZPFFQIV-OPFCKLNOSA-N 434.311 4.119 50 40 IIGB COc1ccc(-c2csc(NC(=S)NC(=O)CCCCl)n2)cc1Br 16226740 WOTDSIYSZMBXTF-UHFFFAOYSA-N 448.795 4.413 50 40 IIGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cccs2)cc1 20233381 QRPRCFWCWAWOQN-LPYMAVHISA-N 447.969 4.132 50 40 IIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccc(I)cc1 32253943 VHOZTBZAVYYADS-MRXNPFEDSA-N 425.229 4.058 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CC2(C)SCCS2)c1C 408587420 FUCPIJQIHCPMCK-CIAFOILYSA-N 448.570 4.047 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)c1 408707300 IZLDUJVJVUSYLX-DHRITJCHSA-N 440.862 4.320 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC 408786359 IGWUHDUWFOFJNX-TURZUDJPSA-N 443.547 4.416 50 40 IIGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 408874163 ZOIBRKNHUKKDAP-VIZOYTHASA-N 432.261 4.462 50 40 IIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(O)c(I)c1 408962854 KIHXGSXDONSGGH-XGICHPGQSA-N 440.244 4.005 50 40 IIGB O=C(N/N=C/c1ccccc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408974237 XUQLYKBPVQWJOI-AUXZNKLVSA-N 429.545 4.267 50 40 IIGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409047074 MPWQPKIFQAESCS-QGOAFFKASA-N 442.431 4.158 50 40 IIGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1 409363606 MOHKBGJJNCBTCM-PKAZHMFMSA-N 446.503 4.128 50 40 IIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCC)c(OC)c4)c32)cc1 9357583 FJJMUWONHYEINM-OAQYLSRUSA-N 446.507 4.491 50 40 IIGB CCc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)cc1 10387036 KUBKRTPACQLHNG-UHFFFAOYSA-N 427.295 4.442 50 40 IIGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(O)cc1 13563304 DXHWFMJFLIMDGR-STZFKDTASA-N 444.607 4.477 50 40 IIGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc2ccccc12 58914762 AMZAGFIQWRUJGA-OYKKKHCWSA-N 428.404 4.097 50 40 IIGB CN(C)Cc1c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)oc2ccccc12 72284123 QRCTXLSXIDVZRX-UHFFFAOYSA-N 443.503 4.001 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1Nc1ccccc1C 408707294 IYLPBJLUAVQTSG-CVLFLDGLSA-N 430.508 4.075 50 40 IIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 408774960 DSXHEDNDDPAADS-CYVLTUHYSA-N 442.475 4.419 50 40 IIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 408995617 KFZQURLAMRVVHI-BDFKGGEMSA-N 426.542 4.357 50 40 IIGB COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1I 409239629 ZTOVLAZIEUBHAZ-ATTDUZETSA-N 432.261 4.084 50 40 IIGB Cn1c(SCC(=O)N/N=C/C(Br)=C\c2ccccc2)nc2ccccc21 9380608 BMOFSHZYLRXKBV-BLXLCHOJSA-N 429.343 4.203 50 40 IIGB COc1ccc2cc(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c(Cl)nc2c1 13137067 ISGMWUXXNIUOMR-LSHDLFTRSA-N 444.900 4.189 50 40 IIGB CC(C)(C)[Si](OCCCCCCC[C@H]1N[C@H]1CO)(c1ccccc1)c1ccccc1 169807308 BGUXLCIDVLNRLF-RPBOFIJWSA-N 425.689 4.236 50 40 IIGB O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408640935 BQPNRMBOLLAEGL-KSSFIOAISA-N 438.282 4.256 50 40 IIGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1cccc(Cl)c1 408846940 LQXFZNXZXJRNNF-WQLSENKSSA-N 436.693 4.078 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1ccccc1 408898483 WFEXPCSGHFVBRB-WGOQTCKBSA-N 432.476 4.385 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(O)n2)cc1 409099611 OUAXDFATXNWUBA-MHWRWJLKSA-N 447.476 4.404 50 40 IIGB COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N3C2)c(OC)c1 2363601 NXZCQHNSYNPICV-KRWDZBQOSA-N 425.485 4.062 50 40 IIGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC(C)C)cc4)CC(=O)N32)c1 12275625 GHNHRSNAOJKAFS-HYBUGGRVSA-N 436.533 4.126 50 40 IIGB O=C(COC(=O)/C=C/c1cccc2cccnc12)NN=C(c1ccccc1)c1ccccc1 12924179 MRBSYYSQQLRJGA-WUKNDPDISA-N 435.483 4.360 50 40 IIGB CC(C)CNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 13556199 OIVVXIZHARMFCV-ZPHPHTNESA-N 441.318 4.190 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccccc1F 409147826 WKVQIUBVUOQDQV-LJQANCHMSA-N 440.862 4.316 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1OC 1791095 UPUIGWKOZGLRHE-QGOAFFKASA-N 446.459 4.129 50 40 IIGB O=C(O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 6445739 XFUDWICYIROLJB-XFFNJLRVSA-N 449.872 4.254 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2cc(I)cc(C)c2O)c(Cl)c1 10060144 YVANXCWABYCABQ-UFWORHAWSA-N 428.657 4.031 50 40 IIGB CCc1cccc2c(/C=C(\C#N)C(=O)NCc3cccs3)cn(CC(=O)N3CCCC3)c12 59087063 BMNCROROIPFARN-CPNJWEJPSA-N 446.576 4.111 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cccc(Cl)c2)cc1 408856984 IWRMDOMPAOYCJA-LPYMAVHISA-N 447.969 4.056 50 40 IIGB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NN(c2ccccc2)c2ccccc2)cc1 409002492 NUMFZQVDHPSGJZ-QHCPKHFHSA-N 435.549 4.018 50 40 IIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)c1 2400725 DSPPTVSCRYCXDS-XDJHFCHBSA-N 442.519 4.460 50 40 IIGB C/C(CCc1ccccc1)=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 13882260 ARFLXFGMJZMZLM-HZHRSRAPSA-N 427.961 4.353 50 40 IIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 58913510 UVLHLBYCNWECCB-DHRITJCHSA-N 438.915 4.153 50 40 IIGB COc1cc(C)ccc1C(=O)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408543455 RGOSQBZQPICISU-BRJLIKDPSA-N 431.448 4.062 50 40 IIGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)NC[C@H]1CCCO1 408735693 WFDXDVRYIUHUEI-VOMPUTFMSA-N 441.325 4.230 50 40 IIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408799804 LKJCTIZXBDNOQZ-LFIBNONCSA-N 441.281 4.346 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cccc(OCc2ccccc2Cl)c1 408865381 DELWQTMBZUDBGM-ZRGSRPPYSA-N 437.883 4.210 50 40 IIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408972785 FLMTWEFNNDJVQS-YABZZONLSA-N 447.535 4.406 50 40 IIGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1 409321267 FGBOKHRDEXHDJO-LJQANCHMSA-N 437.590 4.105 50 40 IIGB C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(Br)c1 710917 NQLAPRKUBPUITI-VURRPDKYSA-N 426.108 4.129 50 40 IIGB Cc1ccccc1OCCn1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 6444201 HERRUFGRDDLTHM-QHCPKHFHSA-N 425.492 4.278 50 40 IIGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 13175711 HJEAUOGMWWRKPU-QFIPXVFZSA-N 433.533 4.318 50 40 IIGB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)N2C(=N1)SC(C#N)=C2N 408607748 UQAQKLFJPYECOF-QGZVFWFLSA-N 432.933 4.077 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C/c2c(OC)ccc3ccc(OC)cc23)c(OC)c1 408879702 DWNBKEFHKPVLIJ-WOJGMQOQSA-N 432.476 4.098 50 40 IIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)c1C 409381152 DGAWHGZOWINIOZ-STZFKDTASA-N 430.508 4.366 50 40 IIGB CC/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc2c(c1)OCCO2 8435234 SNZXMXXNZNNMDT-OQKWZONESA-N 449.370 4.384 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccncc1 9031499 JQJYPYLAEBSIPD-KGENOOAVSA-N 429.596 4.166 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 20922643 NELCOAWAQNJNMP-RGVLZGJSSA-N 436.508 4.497 50 40 IIGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4ccccc4Cl)c(=O)c23)cc1 31783606 RULVFWIHAIKLPZ-MRUKODCESA-N 436.924 4.237 50 40 IIGB COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3nccs3)cc2OC)cc1 33367587 PXPZBQADNZIYRM-WQRHYEAKSA-N 449.488 4.063 50 40 IIGB O=C(NNc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408604207 HSTPSAVQIOHHMO-KRWDZBQOSA-N 437.446 4.040 50 40 IIGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708103 OCBHUNWITCOTOD-JFLMPSFJSA-N 438.890 4.032 50 40 IIGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)cc1Br 409142918 FPWJVJGXQLMISY-FOKLQQMPSA-N 441.281 4.439 50 40 IIGB CCOC(=O)c1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)c1 9408643 JMASHWMJCDIMKW-LJQANCHMSA-N 437.496 4.222 50 40 IIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)cc2)cc1 9934802 YZSSNLURVBYBOX-XOEHMAJKSA-N 443.503 4.185 50 40 IIGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC(C)C)cc4)CC(=O)N32)c1 12275627 GHNHRSNAOJKAFS-RDPSFJRHSA-N 436.533 4.126 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)C(C)(C)C 19949602 AKXXEZUMJNGZEB-XQNSMLJCSA-N 435.977 4.382 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 59101764 KWBRMJWWEDGNEP-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(Br)ccc2OC)c1C 96669478 MEMRXJVDVDYLDJ-ZSOIEALJSA-N 431.286 4.369 50 40 IIGB O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1O 408971823 QPXZXXWYWMVSAM-QRVIBDJDSA-N 425.282 4.498 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)[C@@H](O)c1ccccc1 409351758 WOEXDGBMHUOJGR-GQBLCDNYSA-N 439.309 4.212 50 40 IIGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 859085 ZPAZOHVYTVCLAG-SFHVURJKSA-N 434.945 4.284 50 40 IIGB COc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2C(C)C)cc1 3283439 ZSFYIKJXIJJHBT-UHFFFAOYSA-N 446.536 4.469 50 40 IIGB Cc1ccc(SCC(=O)NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 8965992 YFPZYMRUPOYLKC-UHFFFAOYSA-N 433.892 4.304 50 40 IIGB CC(C)(C)C(=O)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN21 13136151 UWCPMGXQZNUBJV-YTFSRNRJSA-N 436.511 4.481 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1 59101754 NBQUFAQNUHYZRK-JVWAILMASA-N 445.519 4.370 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccccc1[N+](=O)[O-] 59475424 JPPUFQJDEWQARC-LPYMAVHISA-N 436.380 4.068 50 40 IIGB Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCc1ccco1 408707574 KPGIUZAJSKJWPU-OPEKNORGSA-N 445.306 4.405 50 40 IIGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NN=C1CCCCCCC1 408728039 UXXIDYAVQKYCAB-UHFFFAOYSA-N 427.570 4.483 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 3088651 WLFYEDDMEGYWSR-FSJBWODESA-N 438.311 4.270 50 40 IIGB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)NNC(=O)c1ccco1 9318223 RNWBYRFDPDHVOA-UHFFFAOYSA-N 430.536 4.013 50 40 IIGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)cc1 9693108 FCMFVVKKIXBSSI-LJQANCHMSA-N 435.549 4.486 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58912614 AHBRJJMZYCLGTH-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC(=O)OC 59335746 XHEMAKCZGIPINH-MOSHPQCFSA-N 434.492 4.220 50 40 IIGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 408675970 CWDVQWPGQLILHW-WPWMEQJKSA-N 443.503 4.328 50 40 IIGB C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408676593 LEDOQQPELJKXSC-ZXVVBBHZSA-N 431.536 4.190 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@H](C)c2ccccc2)c1Nc1ccccc1C 408706897 DVKJWZGGHASHDE-XTFCHBONSA-N 444.535 4.117 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OC 408725075 ITSXULKKFCZAJK-ZSOIEALJSA-N 448.260 4.163 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408980443 QZPIBIXIYMPCGD-JNPOWPEBSA-N 429.520 4.487 50 40 IIGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OCC 409023832 RNIAZIKDQNDHNE-MSXFZWOLSA-N 444.871 4.191 50 40 IIGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 863802 NUFLNIGCNLRGFK-PCLIKHOPSA-N 443.532 4.185 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)cc1Br 1105617 FVWCUGYXUWEVPB-UQQIOGDDSA-N 440.341 4.349 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1cccs1 4113030 JNUTVXAWLDNGDK-YDZHTSKRSA-N 440.525 4.151 50 40 IIGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc3c(c2)OCO3)=N/Nc2ccccc2)s1 5832220 YJIYIZVSNDWVOT-CADQLKNJSA-N 435.509 4.173 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1cccc(C)c1 33571319 RHECCCFQFRHRNG-MYYYXRDXSA-N 433.464 4.184 50 40 IIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 408535613 ZAXLSFOADLMAKW-SRZZPIQSSA-N 444.241 4.146 50 40 IIGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1 408607794 OIYMIBBRGPFMES-HXUWFJFHSA-N 445.519 4.079 50 40 IIGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc(N)c1C#N 408752502 IZODCHFQAQBWLH-GZIVZEMBSA-N 429.845 4.096 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 408796671 PNGWKQQPYGHXQF-LZYBPNLTSA-N 428.872 4.063 50 40 IIGB C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 408811000 LPSWOPXPEFGWEK-QRVIBDJDSA-N 441.281 4.370 50 40 IIGB COc1cccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)c1 408859160 MECBUOVESUWCKK-UHFFFAOYSA-N 443.569 4.107 50 40 IIGB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C(=O)N=C2O)cc1C 2367602 MFVLJVFSDOCOJS-XSFVSMFZSA-N 437.927 4.166 50 40 IIGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)c(OC)c1 2432749 GVFPIPJPHIOVRP-SFHVURJKSA-N 425.485 4.062 50 40 IIGB Cc1cc(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1O 3147604 MJSOGPKAFSXXSW-IFRROFPPSA-N 432.101 4.299 50 40 IIGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1 6444302 NJVFWXAUGIDIKC-JOCHJYFZSA-N 433.533 4.236 50 40 IIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 33532271 NRZPLTKPILODQI-NHDPSOOVSA-N 428.788 4.109 50 40 IIGB CCOc1ccccc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1 408787213 UXSSLMUANJVETA-HKOYGPOVSA-N 445.585 4.127 50 40 IIGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C#N)cc1 408914946 ZWECNOFNAVLELJ-NDZAJKAJSA-N 448.526 4.352 50 40 IIGB O=C(NN[C@@]12CCCC[C@H]1C=NN2C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16401003 MYEXQIPOGWCJQW-HRAATJIYSA-N 431.323 4.256 50 40 IIGB Cc1cc(O[C@H](C)C(=O)N/N=C\c2ccc(O)c(Br)c2)cc(C)c1Cl 32511866 WSEGXTFLSHGUEN-QZGBHRGBSA-N 425.710 4.343 50 40 IIGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 101357471 JRIBIGDXUCZFAR-XRPBDCNNSA-N 437.496 4.459 50 40 IIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 408532690 QSYSKJVSQXMNIQ-KBKYJPHKSA-N 431.370 4.226 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccccc1 408737312 BOPNLYNSCQZSCG-YDZHTSKRSA-N 426.314 4.386 50 40 IIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)c1ccccc1 408979542 MRRPASWVBUGIJF-NWJFTTBMSA-N 432.524 4.422 50 40 IIGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)C(C#N)=C(N)O2 409129448 GPRYGCZXRUMBHN-LJQANCHMSA-N 437.843 4.077 50 40 IIGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccncc1 1811899 XJEFFHWUORYDBS-AWQFTUOYSA-N 435.987 4.121 50 40 IIGB COc1cc(/C=N/NC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)ccc1O 2250585 DEUWQJZYYPJNES-ZMOGYAJESA-N 430.420 4.221 50 40 IIGB COc1cc(C(=O)NNC(=O)c2ccc(COc3ccc(C)cc3)o2)ccc1OC(C)C 13010208 KLVIKMIOVNJBAN-UHFFFAOYSA-N 438.480 4.038 50 40 IIGB N#C/C(=C\c1cccc(O)c1)S(=O)(=O)c1cc(Br)ccc1Br 13147918 GTKWSLQBEWHNKS-NTUHNPAUSA-N 443.116 4.256 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)cc2nc1N1CCCCC1 19096917 BSPLBWCLOICBPB-JOCHJYFZSA-N 432.524 4.178 50 40 IIGB N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)N1CCN(c2ccccc2)CC1 59332827 AERMKVPIWSECCK-XNTDXEJSSA-N 446.732 4.064 50 40 IIGB Cc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)cc1C 59383044 RLLZDNQZTDXQOR-UHFFFAOYSA-N 427.570 4.325 50 40 IIGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1ccc(Cl)c(Cl)c1 408869406 CYPULEDBQFACEP-YSURURNPSA-N 434.352 4.433 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccs2)ccc1OCC(=O)Nc1ccc(C)cc1 409020834 UMZASWBOVDJYQN-OYKKKHCWSA-N 437.521 4.237 50 40 IIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 1096915 ZUFFCCDHAGRLIR-LPYMAVHISA-N 428.286 4.021 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@H]2CN(Cc3ccccc3)CC=C12 13512653 BTIIWIFSPDNJFX-XZOQPEGZSA-N 425.923 4.266 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1cccc(F)c1 33740885 KYYKYPKTYUBIPF-QFEZKATASA-N 437.427 4.014 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C)c(OC)c1 408602506 BZYSADHZIOTPEL-NRFANRHFSA-N 446.532 4.089 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc([N+](=O)[O-])cc1 408773781 MCAUKMIQPJZHCL-NLRVBDNBSA-N 428.492 4.307 50 40 IIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)c1cccnc1 4827327 QZZDPWHUULYUKC-LQKURTRISA-N 425.536 4.499 50 40 IIGB C/C(=N\NC(=O)CCc1ccc(O)c(O)c1)c1ccc(NC(=O)c2cccc(C)c2)cc1 13321748 OOONJXKIQGYBLG-WPWMEQJKSA-N 431.492 4.132 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 32138942 SBRMEYQAURIHJD-XKZIYDEJSA-N 436.380 4.068 50 40 IIGB N#CC(C#N)=C(NC1CCCCC1)[C@@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N 78547383 NGYMERRUOQOCII-DENIHFKCSA-N 445.324 4.313 50 40 IIGB O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225563403 UYKDWOZELYQGHV-UHFFFAOYSA-N 449.301 4.055 50 40 IIGB O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390831579 SPNGIXZVDISHKH-YJBOKZPZSA-N 431.620 4.228 50 40 IIGB O=C(O)c1cccc2c1N[C@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445737 JGVHSWXYIOECCL-FMBSHMROSA-N 448.884 4.044 50 40 IIGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 13154689 AROOAZVHDKORCX-LLDLRDBLSA-N 442.302 4.233 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NC[C@@H]1CCCO1 13896589 YZTBQLOLWFCIRH-MVDPLZLPSA-N 441.325 4.230 50 40 IIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 13922179 OAEVAZZDSSAQCI-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB O=C(N/N=C/c1ccccc1Cl)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240430 WEXUYUIZDAIPNJ-MTDXEUNCSA-N 446.982 4.422 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 208227626 JHJXSMSPIAWMPZ-QFEZKATASA-N 437.883 4.130 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1cccs1 408908748 YMZYPASRVUUUGX-PTGBLXJZSA-N 441.578 4.101 50 40 IIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1OCC 409316000 WXULWQUJDLXQKS-MYYYXRDXSA-N 442.899 4.088 50 40 IIGB COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(F)c2)cc1 12973673 WFVGKLNEEFEVNQ-LDADJPATSA-N 429.455 4.466 50 40 IIGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N1CCN(c2ccccc2)CC1 15252871 YSMPPVXTWSIUTO-FBMGVBCBSA-N 428.448 4.111 50 40 IIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc(OC)c3)c3ccccc32)c1 408540951 DDNBTMYNCYHGPS-JFLMPSFJSA-N 441.487 4.249 50 40 IIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 408566982 JNJNMHFMLSZNSN-SRZZPIQSSA-N 434.290 4.053 50 40 IIGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408641855 DEBWYBGVAKKGMS-KBXCAEBGSA-N 438.282 4.256 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1Nc1ccccc1C 408708563 QNBZDHMHYIPBGA-CVKSISIWSA-N 430.508 4.453 50 40 IIGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1O 408872172 AISSSGHCNLFUMX-JMIUGGIZSA-N 430.214 4.087 50 40 IIGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccnc1 9272093 UNKMHEBMUONEJC-ITYLOYPMSA-N 442.548 4.270 50 40 IIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C3CCC(C)CC3)cc2)cc1 9335539 SICKFQWXKLTVBL-UHFFFAOYSA-N 429.542 4.182 50 40 IIGB CC(C)=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 19926482 MUERLQQCCTZGQV-UHFFFAOYSA-N 428.341 4.085 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1Cl)Nc1ccccc1F 33769828 NUBYLMAYBUVIHQ-RPPGKUMJSA-N 443.837 4.400 50 40 IIGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(F)cc3)c3ccccc32)C1 103859993 CDCVGDWOUSMXQC-YNCAEIPJSA-N 448.542 4.165 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)o2)ccc1Cl 408534120 UWGZWYRRMDSYCO-BRJLIKDPSA-N 425.872 4.257 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(C)cc2C)cc1 408768275 VQKFFWGWKYYSTP-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(F)cc1 409094838 GHWIHRSQGHKKRR-XMMPIXPASA-N 446.434 4.360 50 40 IIGB CCN(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)c1ccccc1 728315 UTGINJGQRIKQIM-UHFFFAOYSA-N 443.330 4.423 50 40 IIGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 1446798 OLGGXGBWLRQYOO-XNTDXEJSSA-N 427.291 4.337 50 40 IIGB N#CC1=C(N2CCOCC2)N=P(c2ccccc2)(c2ccccc2)N=C1c1ccccc1 8432947 WOSYQKPDCPPLQM-UHFFFAOYSA-N 438.471 4.324 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 8814621 ZTAUXRZRTFQABY-AUEPDCJTSA-N 442.269 4.000 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 33958634 FQFDGCCXXKBDDV-SSDVNMTOSA-N 429.816 4.289 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)cc1 58913697 IRNWDDDDJRIXEP-JVWAILMASA-N 440.503 4.345 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 408611317 QPEVQFYYZORHAT-WGOQTCKBSA-N 431.492 4.062 50 40 IIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=C2CCCCCCC2)cc1 408724775 AOIBRSGZOCEGLI-UHFFFAOYSA-N 427.570 4.483 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C 408747490 ORNIQLXWLDLPPF-NDENLUEZSA-N 430.464 4.234 50 40 IIGB Cc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)ccc1Br 409127247 CTAOUWLKLCOAAD-CYBMUJFWSA-N 446.326 4.061 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 409160030 PDMJJJNIFFNTQL-QDCCHXAWSA-N 447.922 4.422 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3cccc(C#N)c3)c3ccccc23)c1 8811215 VRJUBCKUTNGHGC-RWPZCVJISA-N 438.487 4.342 50 40 IIGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9089364 HHMCFZJARKXRAT-FQEVSTJZSA-N 436.533 4.291 50 40 IIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)o1 9203051 ITQFKUBIPCPMQG-YDZHTSKRSA-N 441.281 4.189 50 40 IIGB O=C(N/N=C\c1cc(Br)c(Br)o1)c1ccccc1-n1cccc1 12362662 XVECEPRZEWTPHG-GRSHGNNSSA-N 437.091 4.359 50 40 IIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(Br)cc1 20072667 KHKMYDHUVPWRAN-ZMOGYAJESA-N 434.293 4.068 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2c2ccccc2)cc1OC 33534218 SXMHIRMDFRPNMA-CQMUHVERSA-N 432.476 4.125 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1 408612446 VKWQIBLNSUPTAI-WGOQTCKBSA-N 431.492 4.062 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408727598 UPXKMRWRSKXMMQ-SRZZPIQSSA-N 428.788 4.109 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC#N 408808441 IUZGPMDVLZAEOJ-FBJMNJBLSA-N 440.297 4.144 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)cc1 408967788 UWHTXHGPLVKBRR-MXAYSNPKSA-N 437.427 4.267 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)c2C)cc1 409388594 VJIOBZFKRLTOFA-HMAPJEAMSA-N 430.508 4.366 50 40 IIGB Cc1ccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)cc1 3148101 CYZDPPPXTQFECR-AWQFTUOYSA-N 440.135 4.358 50 40 IIGB C#CCOc1c(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cccc1OC 8452598 CGUNBAYRSKSHNF-ZVHZXABRSA-N 435.307 4.323 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c(C)n1CCC(C)C 10189983 HNHANWHOGDVPQO-HZHRSRAPSA-N 446.551 4.238 50 40 IIGB CCOC(=O)C(C1=NC(N)=C(C#N)C(c2ccccc2)=CS1)=C1Nc2ccccc2N1 16682094 LXHDWUPNIKVADQ-UHFFFAOYSA-N 429.505 4.179 50 40 IIGB COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 31842143 MHYLKVHDOLALSC-KSEXSDGBSA-N 426.816 4.208 50 40 IIGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc4c(c2)oc2ccccc24)[C@@H]13 101052622 KANINFNBLPIKRD-HTVVGEMYSA-N 426.266 4.096 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1C 408586898 CXHQINUPOFZCNY-ZMOGYAJESA-N 440.887 4.357 50 40 IIGB O=C(N/N=C\c1ccccc1O)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408734204 BUEPLBSIMZGOJQ-MSXFZWOLSA-N 436.309 4.439 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC#N 408853569 PRXYRNKEJKBCMK-FMCGGJTJSA-N 442.269 4.260 50 40 IIGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1cc(C)cc(C)c1 408998927 QWQKEFCXYJUNQI-YDZHTSKRSA-N 428.558 4.441 50 40 IIGB CCOC(=O)C1=C(C)NC(SCC(=O)OCc2ccccc2)=C(C#N)[C@@H]1c1ccco1 1270277 SLWMRERIVVOKDC-OAQYLSRUSA-N 438.505 4.015 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc(F)c1 2093411 IVEIMSNTHGBTPX-XMMPIXPASA-N 446.434 4.360 50 40 IIGB O=C(N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F 3078645 BRCPSPCFRNXHSB-AWEZNQCLSA-N 444.604 4.375 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38658302 KGDSBGRLQCTURE-DEOSSOPVSA-N 442.471 4.450 50 40 IIGB COc1cc(OC)c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1Br 408567251 LCZHQMMQITUUKP-YDZHTSKRSA-N 433.346 4.457 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2Nc2ccccc2C)cc1 408709272 YUMLQGQWUAYNSI-WGOQTCKBSA-N 446.507 4.235 50 40 IIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccccc1Br 408886975 NFGIUMIOIUJPHD-VGOFMYFVSA-N 435.705 4.472 50 40 IIGB O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1ccc2ccccc2c1)[C@@H](Br)[C@@H]3Br 2066700 WKKXVOBOSZBQMM-VCCANDMLSA-N 449.142 4.122 50 40 IIGB COc1ccccc1[C@H]1C(C#N)=C(SCC(=O)OCc2ccccc2)N=C(O)[C@@H]1C#N 2296083 VUNQDEFBEBGEIG-DYESRHJHSA-N 433.489 4.100 50 40 IIGB Cc1ccc(S(=O)(=O)SC/C=C\CSS(=O)(=O)c2ccc(C)cc2)cc1 5812552 MMBKGPMCUOXQRM-ARJAWSKDSA-N 428.622 4.404 50 40 IIGB COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCl)c1OC 9435985 CADSLKUWFUMGHQ-MRXNPFEDSA-N 437.721 4.383 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1cccc([N+](=O)[O-])c1 32916774 TUPIMOAYMXTUER-VULFUBBASA-N 443.463 4.080 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)cc1C 408603797 HGONGOKNBMYXCL-NRFANRHFSA-N 446.532 4.089 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c(C)c1 408644056 GTELGIGMJLTPGS-FXAWDEMLSA-N 431.891 4.219 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408797438 RVWSQTYKWGENQV-WOJGMQOQSA-N 445.431 4.434 50 40 IIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409007923 RVEVLEUDCJBPGQ-PKAZHMFMSA-N 445.519 4.104 50 40 IIGB CCc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)cc1 409025427 RCSWFYHWYBRSMJ-UHFFFAOYSA-N 427.570 4.271 50 40 IIGB Cc1c(Br)cc(/C=N/NC(=O)CNc2ccccc2)cc1Br 409388885 XFTBMSBQQPOFGQ-AWQFTUOYSA-N 425.124 4.082 50 40 IIGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c1 6433205 WYSCQGYZBDELPD-JJIBRWJFSA-N 429.586 4.169 50 40 IIGB Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)cc1 9375373 LHBNCXOTXMAALO-CVKSISIWSA-N 426.476 4.434 50 40 IIGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 13758541 RSAGFIACFHHDEF-HMMYKYKNSA-N 443.484 4.134 50 40 IIGB O=C(COc1ccc(Br)cc1Br)NN=Cc1ccccc1Cl 23397346 PQBVWNIJKQUREX-UHFFFAOYSA-N 446.526 4.394 50 40 IIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408709094 XJWZJUGEIXKAPX-WGOQTCKBSA-N 446.507 4.235 50 40 IIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408802792 HLXAITSQUKNRHE-NTEUORMPSA-N 428.242 4.468 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)cc3)o2)ccc1Cl 409147112 WJUVLFXKROVHLV-AFUMVMLFSA-N 440.883 4.478 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccccc1C(=O)O 409216410 HXIZAQJTCKQAKJ-FSJBWODESA-N 440.297 4.319 50 40 IIGB O=C(NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccccc1 409228058 ZRTPJSGUHHAZRS-UHFFFAOYSA-N 427.382 4.033 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1 409310770 BTARDDSTTKBDLT-IBGZPJMESA-N 435.549 4.413 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409366527 VNHITZAPWQLQGO-CVKSISIWSA-N 436.895 4.383 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 8399057 XOTJFOVGASJVBO-WYMPLXKRSA-N 438.311 4.270 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)cc1 9203012 LBUUPBKHBQLESR-YDZHTSKRSA-N 441.281 4.189 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1 13922318 BJPCJKXVUYRARZ-OVVQPSECSA-N 439.471 4.469 50 40 IIGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2)cc1 28215336 UFDYXRKCRZTTOO-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB CC(C)(CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)CC(=O)Nc1ccc(Cl)cc1 199422018 FYNFSZZRYQQMJL-UHFFFAOYSA-N 445.991 4.449 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1I 408568107 HXSTWTDUOHRTGL-JYRVWZFOSA-N 443.219 4.383 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(Br)c2)c1 408743581 BFTCCACNKCFLSP-GDNBJRDFSA-N 426.270 4.296 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408790645 XMEKJNKBMGRFSB-MKMNVTDBSA-N 449.290 4.408 50 40 IIGB C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1OCC 408910002 IMPGTVZDCFOREM-TURZUDJPSA-N 444.531 4.209 50 40 IIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cc2cc(CC)ccc2nc1Cl 872615 MHRMBNTYELUPJD-QGZVFWFLSA-N 432.307 4.314 50 40 IIGB COc1cccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2ccccc2OC)c1 1021266 JZUUACHDXNIMTO-VLQKAMOESA-N 427.460 4.378 50 40 IIGB CC(=O)/C(C(=O)N(N)c1nc2ccccc2s1)=C(\C)N1CCC(Cc2ccccc2)CC1 1413800 SYASIMMFVGZDBV-QJOMJCCJSA-N 448.592 4.321 50 40 IIGB N#C/C(C(=O)Nc1ccccn1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 9196185 GSPQARCISGOPSP-QUOHCSHWSA-N 426.501 4.147 50 40 IIGB COc1cc(/C=N/NC(=O)CCl)cc(Br)c1OCc1ccc(C)cc1 28217946 ZYVDDWINZCDQFF-UFFVCSGVSA-N 425.710 4.034 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38658454 OZIZOKCVTBXOEY-NRFANRHFSA-N 434.473 4.203 50 40 IIGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccc(C(=O)O)cc1 57398725 PFKNTMZTKQUJRY-BKUYFWCQSA-N 449.470 4.237 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1c(C)cc(C)cc1C 408735024 MIUSXJAAPIFSLJ-ATEMXAKRSA-N 434.536 4.402 50 40 IIGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408905427 YLSMJDLMVGVXQR-JMIUGGIZSA-N 432.230 4.266 50 40 IIGB C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 409068605 UKIBVIGSZPMJRT-XSFVSMFZSA-N 432.476 4.321 50 40 IIGB Cn1cccc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 1768671 XJDCXPNOEFITPX-DJKKODMXSA-N 438.003 4.065 50 40 IIGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 8717759 FVDQVZVTOWVTQX-CIJMEZBMSA-N 430.888 4.468 50 40 IIGB O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 58871609 KOAFTYAFWBBQLP-VXLYETTFSA-N 426.108 4.000 50 40 IIGB CC1(C)C(=O)O[C@H]([C@@H](Br)[C@H](Br)c2ccccc2)C(C)(C)C1=O 97957090 FSEOTGDTOQKUGQ-FRRDWIJNSA-N 432.152 4.433 50 40 IIGB O=C(O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 245232530 XFUDWICYIROLJB-OWRUZMDSSA-N 449.872 4.254 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1 409267703 XEKIIBQOALIYKN-QFEZKATASA-N 437.883 4.130 50 40 IIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(F)F 715683 GLQBWUZYUFVABZ-QGZVFWFLSA-N 426.375 4.011 50 40 IIGB C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(I)c3)[C@@H]2C1 8742154 QLJKIFRBLZIKQL-XZOAIXRZSA-N 440.288 4.131 50 40 IIGB CCC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)N/N=C/c3cc(Br)ccc3O)c2C1 9375272 KJPZEPANAKZIFM-XIJPWPHISA-N 433.350 4.183 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 31849040 VXKSFOSEXWLHOR-KSEXSDGBSA-N 426.816 4.208 50 40 IIGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccc(Cl)cc1Cl 216836913 PVYBXTHSYDCYDL-UHFFFAOYSA-N 434.117 4.337 50 40 IIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)o2)c([N+](=O)[O-])c1 408892684 CKVPTCFDVUYNPI-BUVRLJJBSA-N 430.420 4.418 50 40 IIGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1 409205894 QMQBSCHZSPPUFL-FYJGNVAPSA-N 443.503 4.445 50 40 IIGB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 2351707 ALKFDEYDBAQOIJ-LSHDLFTRSA-N 432.267 4.219 50 40 IIGB CCCOc1ccc([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27298035 FCMWICPKZIIPRO-QPPBQGQZSA-N 445.567 4.008 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3OC)c2C)c1 33779807 RJHYEGACMHQXFK-CVKSISIWSA-N 449.507 4.052 50 40 IIGB COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br 33803990 BWMIRLIMLDTCEH-ZSOIEALJSA-N 426.270 4.250 50 40 IIGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2)cc1 408881979 MQZPAWPZNCVCIF-XMHGGMMESA-N 426.428 4.458 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccccc1OCc1cccc(Cl)c1 409084066 WHWXMCXDQDLXBA-RPPGKUMJSA-N 437.883 4.210 50 40 IIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1OC 409325054 WHTRCFLWDCPDSD-MYYYXRDXSA-N 442.899 4.088 50 40 IIGB Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)cc1 12447788 JPHZXTYLCUYRJK-SANMLTNESA-N 442.494 4.181 50 40 IIGB COc1cc2c(cc1/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1)O[C@H](C)C2 14183173 VMIUQNDZPFFQIV-VQGSWFTOSA-N 434.311 4.119 50 40 IIGB COc1ccc(CC(=O)NNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 32732204 UGNHIRYSXUELAR-UHFFFAOYSA-N 447.516 4.132 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408798139 UYLYDJKDZHKNGN-XNTDXEJSSA-N 441.281 4.111 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Br 408837601 JPDUDBYXRPQDJC-ZVBGSRNCSA-N 445.144 4.351 50 40 IIGB COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COCC(F)(F)F 996597 GCFRRTILCGTGBQ-FXAWDEMLSA-N 442.441 4.368 50 40 IIGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 1241663 PJKVAKPWHQKNCZ-YDZHTSKRSA-N 431.924 4.390 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccc(F)cc2)c(OC)c1 2768773 DXBQQCWERZSTIP-JOCHJYFZSA-N 438.455 4.058 50 40 IIGB Cc1ccc(C)c(OCc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)o2)c1 3297385 DCPSSLRJEQWGSW-UHFFFAOYSA-N 433.493 4.199 50 40 IIGB COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(F)cc1 10059585 ZNGTZIMOQYVSSP-UWVJOHFNSA-N 430.071 4.123 50 40 IIGB Cc1cc(-c2cc(C(=O)NNC(=O)c3ccoc3C)c3cnn(C(C)C)c3n2)c(C)s1 14260397 QSVXLRLLFMJUAV-UHFFFAOYSA-N 437.525 4.334 50 40 IIGB NNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1 226359421 MWVCUKRAECFVFD-UHFFFAOYSA-N 428.002 4.094 50 40 IIGB COc1cc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(Cl)cc2)ccc1OC(C)C 818318 FECPHVDIKHYENS-IBGZPJMESA-N 429.929 4.436 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 1774096 ZLSMUWMVBFGTSG-GXDHUFHOSA-N 425.466 4.257 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 9282468 ORRMRWRKZWQCPP-KRWDZBQOSA-N 437.297 4.456 50 40 IIGB O=C(CCc1ncc(-c2ccccc2F)o1)NNC(=O)c1cc2c(s1)CCCCC2 10470207 CYOJGZNSQADXKH-UHFFFAOYSA-N 427.501 4.205 50 40 IIGB COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OC 33386653 CJDSOPHNDUWQSN-AUWJEWJLSA-N 442.718 4.458 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)O 408789829 RVWWBNQDVZEWLY-NTUHNPAUSA-N 435.263 4.401 50 40 IIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(C)C)c(OC)c1)c1ccccc1 408979678 NYQHPHDGFCNZGL-RASHHNMQSA-N 441.528 4.058 50 40 IIGB CCOC(=O)Cn1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 409390230 CDBCGROLGMEBBF-OGLMXYFKSA-N 439.515 4.487 50 40 IIGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1sc2ccccc2c1Cl 1084712 VFTQHSZOPODZSK-UHFFFAOYSA-N 434.702 4.403 50 40 IIGB CCn1c2ccccc2c2cc(/C=N/NC(=O)CCC(=O)NCc3ccccc3)ccc21 4090178 ZLOQTGYTEGCASC-MTDXEUNCSA-N 426.520 4.361 50 40 IIGB CCO[C@@H](CCl)/[S@@](=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1[N+](=O)[O-] 6233824 PXEYAOOAMLKHOZ-WGDIFIGCSA-N 430.935 4.054 50 40 IIGB Cn1ccnc1/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc([N+](=O)[O-])c1 12604608 RDWHXXJMSOFYPA-QJOMJCCJSA-N 439.884 4.379 50 40 IIGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 3185400 TTWYHCJQZZABCG-MZJWZYIUSA-N 440.330 4.392 50 40 IIGB O=C(NN=C1CCCCCCCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 8693965 WRPHGINZWLMNTC-UHFFFAOYSA-N 449.617 4.098 50 40 IIGB COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc(Br)c1O 28217894 UNZQTBVUKGVBQN-KEBDBYFISA-N 443.750 4.449 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 59445023 PHVQKXSRJJPTMV-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB C#CCOc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)cc1OC 408810714 JQBNPCBIDXWPFB-LZNAANCOSA-N 439.309 4.254 50 40 IIGB O=C(O)COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 409032039 INOBWQPOKXTMJN-YSMPRRRNSA-N 425.444 4.129 50 40 IIGB O=C(N/N=C\c1ccc(N2CCOCC2)o1)c1cc(-c2ccccc2)nc2ccccc12 409036223 AVOBVZIBLCZDOF-ONUIUJJFSA-N 426.476 4.095 50 40 IIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(Oc3ccccc3)nc12 2406531 RIPGMMPKZXHLNE-OBGWFSINSA-N 428.492 4.151 50 40 IIGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccccn1 8431303 JMGJKUPANZAQQR-MXAYSNPKSA-N 435.940 4.375 50 40 IIGB CCCNC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 9425492 CWNJZMAYDLXWOF-LICLKQGHSA-N 429.314 4.470 50 40 IIGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 9948724 MHJVAYOAIRBQRJ-SLEBQGDGSA-N 433.895 4.095 50 40 IIGB Cc1cccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(N)=O)c1 12374287 BRUSDQPLFZPMEQ-AWZALFRUSA-N 432.332 4.213 50 40 IIGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1nc2ccccc2c(=O)[nH]1 13943507 QJACMJWCLIGVFG-ATVHPVEESA-N 449.470 4.451 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccccc1 408773581 VHGIALQNCZAROT-LPYMAVHISA-N 443.288 4.463 50 40 IIGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 409223072 GGQFXCLDEQFCJX-MYKKPKGFSA-N 447.325 4.190 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1O 3572290 LDBGWNCWIQFALE-DJKKODMXSA-N 442.107 4.080 50 40 IIGB Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4cccc(O)c4)[nH]n3)cc2)cc1 8557257 KVKWTMVKSLPEDL-CVKSISIWSA-N 426.476 4.434 50 40 IIGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc(C(=O)OC)c1 9806074 KMFTYJPDQNQFJW-WJDWOHSUSA-N 437.452 4.499 50 40 IIGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OCC)c1 10041300 XMPNFTSPNXXXOO-XKZIYDEJSA-N 433.302 4.185 50 40 IIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1 12274965 YAIPOTRJBYTPPD-DYESRHJHSA-N 446.450 4.357 50 40 IIGB C[C@@H](O/N=C\c1ccc(Br)cc1)C(=O)N/N=C/c1sc2ccccc2c1O 16322123 KLIUUYZUXAVNQC-ILGXWVTASA-N 446.326 4.259 50 40 IIGB Cc1n[nH]c2c1[C@H](c1ccccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 59447010 RDIULPXQDQHBJN-LJQANCHMSA-N 437.297 4.278 50 40 IIGB CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 102599534 LIORCAKJPWZBQR-MRCUWXFGSA-N 434.927 4.461 50 40 IIGB Cc1cccc2nc(NC(=O)[C@H]3[C@@H](C(=O)OC(CCl)CCl)[C@H]4C=C[C@H]3C4)sc12 103070513 JILVMJIBZXMCPT-RKLWJJNISA-N 439.364 4.371 50 40 IIGB COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1OC(=O)c1ccccc1F 14015959 WTQMJDPSMOKWCC-UVHMKAGCSA-N 431.423 4.299 50 40 IIGB Cc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 58918662 JMOPEIKJINSEMI-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB Cc1cccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1C 408709069 WWADXUYTOFPQSW-WYMPLXKRSA-N 445.361 4.032 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2ccc3ccccc3n2)c(C)n1-c1ccc(N(C)C)cc1 408742747 YBMOIIBWOYCGGI-JVWAILMASA-N 441.535 4.237 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 408799025 XPSVXIVCOQDEQZ-XMHGGMMESA-N 427.460 4.258 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccccc1 408891435 QLMGITPQVFYJPL-LDADJPATSA-N 443.415 4.368 50 40 IIGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(C)C)cc3)c(C)c(C#N)c2=O)cc1Cl 409063709 BHZZJVBNVDKAND-WKIKZPBSSA-N 447.926 4.262 50 40 IIGB CC1(CC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SCCS1 409227084 XHJZOLXXWMIDGK-FYJGNVAPSA-N 431.539 4.210 50 40 IIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)ccc1OC 409313967 JMEOCVBHFCNBGA-YSMPRRRNSA-N 448.475 4.135 50 40 IIGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C45CC6CC(CC(C6)C4)C5)c32)c1 8442083 JMWWYXMWAAQHBX-KZKXZOASSA-N 432.524 4.113 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1C 16700538 GJCOWJSRGCQDMT-HMAPJEAMSA-N 449.514 4.475 50 40 IIGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 408868918 QQMLLSWSOXONRV-JFLMPSFJSA-N 437.459 4.162 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OC 408969508 PAEUYEJWOTVOQO-SSDVNMTOSA-N 447.285 4.375 50 40 IIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 6146533 PNPLHCRSZYQHAD-LPYMAVHISA-N 438.534 4.103 50 40 IIGB Cc1nn(-c2ccc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1Cl 17157826 UXXKGGOHGCBSAE-UHFFFAOYSA-N 426.948 4.120 50 40 IIGB CCCCOc1ccc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20130170 XMWWRSMUDVJIOE-XUZZJYLKSA-N 445.567 4.008 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1Br 408530019 KTFKSDOGBGBGSU-YSURURNPSA-N 443.267 4.096 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1cccs1 408872448 NLCOJVCITKYQHH-PTGBLXJZSA-N 441.578 4.101 50 40 IIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)Nc2cccc(Br)c2)cc1 408953877 QKKQRJMZTSZQOP-HMAPJEAMSA-N 426.318 4.461 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c(O)c1 409391543 JOQURGHCJKSLSQ-DHRITJCHSA-N 440.883 4.406 50 40 IIGB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)CCCCl)CC2 2976802 BQTPDHYJCJZAMH-LJQANCHMSA-N 448.903 4.136 50 40 IIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccc(C(F)(F)F)cc1 6445691 LKPZGDTVZOPLSC-MRXNPFEDSA-N 426.354 4.042 50 40 IIGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CCc3ccccc3Cl)cc2)cc1 9252979 HYVIJQPUIHGOJZ-UHFFFAOYSA-N 433.895 4.038 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19947952 UQUMCMLZNQVIBU-LKUDQCMESA-N 435.549 4.039 50 40 IIGB CCCOc1ccc(C(=O)N/N=C/c2c(OCC(=O)OCC)ccc3ccccc23)cc1 20198209 ANNVTWVEXHINHJ-WGOQTCKBSA-N 434.492 4.334 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 59515650 XCFXMYWEUWKCOS-FSJBWODESA-N 438.311 4.270 50 40 IIGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1 408602303 CTZNHONPQSGAAO-HXUWFJFHSA-N 445.519 4.161 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OC(C)=O 408766918 WXBRABZOMLPADH-XNTDXEJSSA-N 429.270 4.319 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 409180706 YXGCDHKXZJRLBW-YDZHTSKRSA-N 447.476 4.282 50 40 IIGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 409219956 RZRWAXBMVHBRJQ-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c(O)c1 409390809 FSNYMFXHUQTVKK-FSJBWODESA-N 442.313 4.335 50 40 IIGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)C1 2423458 WPEGIKVPRLCTMH-INERZTRHSA-N 430.552 4.025 50 40 IIGB COc1ccc2c(Cl)c(C(=O)NNC(=O)COc3ccc(Cl)cc3C)sc2c1 8400107 SSJBAGIWVRLRDE-UHFFFAOYSA-N 439.320 4.365 50 40 IIGB C[C@H](C(=O)N/N=C\c1ccccc1Cl)n1c(-c2ccccc2)nc2ccccc2c1=O 12082374 SHBBKHCPKWJFAB-YRQCHPQVSA-N 430.895 4.428 50 40 IIGB O=C(CCCC[C@H]1CCSS1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390831577 SPNGIXZVDISHKH-MAUKXSAKSA-N 431.620 4.228 50 40 IIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1O 408569290 MWZOFCMKSYBBLT-WZUFQYTHSA-N 449.223 4.475 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1cccc(Br)c1 408590951 RLPGSQTXQCUXTP-VMHRPQTGSA-N 426.314 4.040 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409257913 UPSQVRDKLCJRJL-DICXZTSXSA-N 445.519 4.402 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1Cl 409330810 BMLRTMKXWHWKFW-LZWOXQAQSA-N 447.988 4.210 50 40 IIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccccn1 1761092 OMLZWIADHHYYJH-AWQFTUOYSA-N 435.987 4.121 50 40 IIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 3643900 NKHOARYKACLYMC-HMMYKYKNSA-N 443.484 4.134 50 40 IIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nnc2-c2ccc(C)cc2)cc1 9065385 JTBXFFJKYMMWBM-ZVHZXABRSA-N 447.520 4.087 50 40 IIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccncc1 41074122 SPTASNADAUEZQQ-AFUMVMLFSA-N 446.308 4.461 50 40 IIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1C 408591151 RPUKASWVYZQWSW-BRJLIKDPSA-N 439.899 4.178 50 40 IIGB N=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cccnc1Oc1ccccc1 8666506 ACTGQYQVGKKIJU-UHFFFAOYSA-N 430.386 4.183 50 40 IIGB COc1ccc(CCNC(=O)/C(C#N)=C/C=C2\N(C)c3ccccc3C2(C)C)cc1OC 12412608 QFDIBXMDESCTQG-SHYJKWTDSA-N 431.536 4.124 50 40 IIGB COc1cc(/C=C(/C#N)c2nc(CSc3nnnn3-c3ccccc3)cs2)ccc1O 17138247 XPZLNSCFBBCZNV-DHDCSXOGSA-N 448.533 4.189 50 40 IIGB CO/N=C(/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C 100540163 DHAUPAINZFLPKA-PNHLSOANSA-N 434.496 4.325 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)C(C)(C)C 211040580 FHEBLFJWADEQGF-HZHRSRAPSA-N 435.977 4.458 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OC)c2OCC)c(C#N)c1C 408547484 XOTKMOJBPCCFTF-MHWRWJLKSA-N 438.505 4.231 50 40 IIGB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)ccc1C 408609156 YZUINYKYFIDPCL-FQEVSTJZSA-N 431.521 4.027 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c2C)c1 408968591 XRDVZWMEGVSEHP-RWPZCVJISA-N 446.551 4.450 50 40 IIGB CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408979563 MVENIUJCPMQFKG-XHOYQDIRSA-N 445.519 4.105 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccccc1C(=O)O 409216771 OJLHTVSJIDCNKB-DICXZTSXSA-N 441.487 4.475 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccccc1 3335380 UNLDRMVURZAPMY-WYMPLXKRSA-N 440.297 4.196 50 40 IIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(Cl)c4)CC(=O)N32)cc1OC 12276176 AKYRLLTVFLASGW-KSFYIVLOSA-N 442.924 4.000 50 40 IIGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCCCC3)c2C)cc1 20243778 QJLFPEZVRLLHPT-YDZHTSKRSA-N 431.378 4.101 50 40 IIGB COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 71335767 JMDCDAOLBBHHFE-FOKLQQMPSA-N 428.832 4.079 50 40 IIGB C[C@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 408610584 OKAXQGYULSFQQC-AEIQVQRHSA-N 435.911 4.247 50 40 IIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408763191 OEZLUGSDOKNESJ-CVKSISIWSA-N 431.492 4.093 50 40 IIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c1 409187484 RBBNBBNWUVYBKL-CVKSISIWSA-N 433.508 4.188 50 40 IIGB CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 1021048 PUSMELZPNDEBTE-WGOQTCKBSA-N 432.476 4.006 50 40 IIGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)cc1 2412846 DOAFHDZDKUBFNY-XDJHFCHBSA-N 442.519 4.323 50 40 IIGB O=C(CCSCCC(=O)N/N=C/C=C/c1ccccc1)N/N=C\C=C/c1ccccc1 8613292 XJIDPSLTNBKHTD-MZKRMNSYSA-N 434.565 4.131 50 40 IIGB COc1ccc(C(O)(C(=O)N/N=C(\C)c2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 9234118 SZWOBSYXGWDBLK-WGOQTCKBSA-N 438.911 4.134 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OC(C)=O 59335389 KUXRPRBBFOHGSW-NVNXTCNLSA-N 429.270 4.237 50 40 IIGB Cc1ccc(S(=O)(=O)/N=C2/C(Cl)=C(Cl)C(=O)C(Cl)(Cl)[C@H]2Cl)cc1 100497351 NNVXIKQRRZQEAL-ORPVNXHJSA-N 435.543 4.178 50 40 IIGB Cc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408676291 HGFBIQGHRFCLSO-XYGWBWBKSA-N 431.496 4.366 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCC#N 408814096 PYJLQJPUISRUBD-JYRVWZFOSA-N 430.233 4.045 50 40 IIGB O=C(N/N=C/c1ccc(Cl)s1)c1cc(Br)c(O)c(Br)c1 408967980 WFDLSKPTUCTRTP-FZSIALSZSA-N 438.528 4.396 50 40 IIGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@H]1c1cccs1 409127098 GRMMWFLOGSZAID-CYBMUJFWSA-N 437.468 4.477 50 40 IIGB CCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OCC)c1 409311349 ZLRYISNSMNDAGR-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1I 409392230 OFGWNXVJAKMLSE-WSDLNYQXSA-N 429.261 4.007 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1 2502482 XVLZQJSQVKBDHN-XMMPIXPASA-N 428.444 4.221 50 40 IIGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc2ccccc12 11690316 MDDUAQPGVBDQKZ-KVHSSYOWSA-N 443.528 4.021 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)cc3C)c2C)c([N+](=O)[O-])c1 20195444 RUHJFHLNSPZJGB-AFUMVMLFSA-N 434.496 4.321 50 40 IIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)c1C 408788951 NHVADOJGGAWKII-OVCLIPMQSA-N 429.270 4.075 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408887509 RFOVCLGUSXVPCK-CPNJWEJPSA-N 443.415 4.418 50 40 IIGB COc1ccc(/C=N/NC(=O)c2cccc(I)c2)c2ccccc12 1880053 XTZYATOSGAIXDM-CIAFOILYSA-N 430.245 4.217 50 40 IIGB COc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 208456758 GOJCDRRKJKGSQL-QFEZKATASA-N 429.303 4.388 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1 408604853 IVQPWBHMLOAFKP-LJQANCHMSA-N 433.483 4.209 50 40 IIGB C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc(I)cc1 408784141 SJRBXHOWJXYEDA-XSFVSMFZSA-N 438.334 4.373 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 409005437 IPMLVBIDGVKOKG-AFUMVMLFSA-N 447.366 4.062 50 40 IIGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Cc3ccccc3Cl)cc2)n1 9222137 WPCOWXSKKKTWJY-UHFFFAOYSA-N 440.956 4.043 50 40 IIGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1 9234478 YEVWUWVYJYXMSR-XDJHFCHBSA-N 433.508 4.069 50 40 IIGB COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc(Br)c1O 28217659 SSRWAQHWZBNGBI-ZVBGSRNCSA-N 437.359 4.164 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1C 108168121 HIBFCMJQRWDPHU-BOPFTXTBSA-N 432.436 4.262 50 40 IIGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCc2ccccc2)cc1 408609180 ZCPSFSNWCOHPOQ-OAQYLSRUSA-N 446.532 4.214 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)NC1CCCCC1 408773338 IDAAXRSVKDVHOR-JVWAILMASA-N 445.519 4.137 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)OC 408788483 DHQRDFKYWPAVKH-CXUHLZMHSA-N 428.872 4.145 50 40 IIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(Br)c2)cc1OC 409324149 SJTCNOJBVUMOLG-XKZIYDEJSA-N 433.302 4.185 50 40 IIGB N#C/C(=C/c1ccc(S(=O)(=O)c2ccccc2)o1)C(=O)Nc1nc2ccccc2s1 987464 BKQXFACGLTVRGH-OWBHPGMISA-N 435.486 4.268 50 40 IIGB Cc1n[nH]c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc1)C(C#N)=C(N)O2 1026941 IUCGHGGDIGZZRX-GOSISDBHSA-N 441.274 4.462 50 40 IIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/NC(=S)Nc2cc(Cl)ccc2Cl)cc1 1637420 CVEGCQCBDLYOKV-GXDHUFHOSA-N 426.350 4.427 50 40 IIGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1c(O)ccc2ccccc12 1754015 PUCYONVKSLUEKX-YSURURNPSA-N 431.279 4.124 50 40 IIGB CCOc1cc(/C=N/NC(=O)OC(C)(C)C)c(Br)c(Br)c1O 2295886 WRVDFFGHSJOPSU-REZTVBANSA-N 438.116 4.175 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1cccs1 9554176 IZRFHNDZOFDLBC-AFUMVMLFSA-N 437.521 4.237 50 40 IIGB COCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 16753083 WRMPXKKQDDPQAZ-YBEGLDIGSA-N 431.275 4.492 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccco1 19826092 WGWWLXFCPVGBEY-JJIBRWJFSA-N 431.521 4.468 50 40 IIGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccccc1 19949086 IZGYFKZVXHFLCD-UHFFFAOYSA-N 433.961 4.280 50 40 IIGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1Br 58914587 WNHAHFUAAHMUJM-JJFYIABZSA-N 446.688 4.451 50 40 IIGB CCc1ccccc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccccc1 408877260 UPZMNLWIFSFJDW-UHFFFAOYSA-N 427.570 4.271 50 40 IIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C 408945079 WPCAQJCSAYQGSS-DHRITJCHSA-N 438.915 4.153 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)o2)cc1 408987158 AORTYDSXUXIORX-DTQAZKPQSA-N 428.477 4.261 50 40 IIGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccccc1Br 409380182 JSDCWJRKRIYXGT-ZMOGYAJESA-N 425.330 4.419 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccccc1 1479418 QOAFIXHHKLAPMC-NLRVBDNBSA-N 442.548 4.270 50 40 IIGB COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)c1 6239670 IKMCQZFVJMKKLH-QGZVFWFLSA-N 442.397 4.331 50 40 IIGB COc1ccc2c(c1)OCC(/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1)=C2 14178010 XTTHJZQASSLWPF-GIJQJNRQSA-N 432.295 4.115 50 40 IIGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 58883108 GAQIWZOMARGDHF-QFEZKATASA-N 437.883 4.130 50 40 IIGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)c1 408706703 CMXYRALRVYUMMR-VULFUBBASA-N 444.491 4.142 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 408780090 RUCOQCRCOYOAPK-SXGWCWSVSA-N 444.285 4.368 50 40 IIGB CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc4c(c3)OCO4)cs1)OCO2 1825800 ZBDGZTUHTUEOJW-RIYZIHGNSA-N 433.445 4.447 50 40 IIGB CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)COc1ccc2ccccc2c1Br 12039610 UUVIGYNORAAXFR-PXNCGERRSA-N 435.318 4.063 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 15220918 RQYYWJVPRORQSR-YZSQISJMSA-N 445.475 4.141 50 40 IIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 19818102 FWFPWLFOSSDFQL-VUTHCHCSSA-N 440.547 4.357 50 40 IIGB CCn1nc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2c1=O 33045756 OMIJJOWTCNSEBH-JFLMPSFJSA-N 441.535 4.205 50 40 IIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 33570545 WNPLXWAYIBFJQX-MOSHPQCFSA-N 444.535 4.051 50 40 IIGB COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(OC)c1C 408570208 SRWIFCGQEKTYJQ-WSDLNYQXSA-N 432.567 4.020 50 40 IIGB CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC 408966270 LAXNNDAOKXFPAG-FOKLQQMPSA-N 434.265 4.021 50 40 IIGB C[C@H](C(=O)NN=C1CCCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026556 SCVUXUPLQCVACY-GOSISDBHSA-N 443.569 4.460 50 40 IIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c1C 409376115 UQCMBCHKSNYHFJ-UYRXBGFRSA-N 429.476 4.440 50 40 IIGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc(C)cc3)c(=O)c21 2435541 QRTMNTLXRQPMKE-QHCPKHFHSA-N 427.504 4.130 50 40 IIGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1Br 8721948 PCWNWIYTJZIWFB-ZROIWOOFSA-N 431.286 4.498 50 40 IIGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 12629622 HNSIBDFRRQFXRN-OVVQPSECSA-N 431.492 4.409 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1C 12924924 QNVHXZXYCAYGET-KOEQRZSOSA-N 447.579 4.446 50 40 IIGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OC 33750826 JPNVNPMOPGYHIC-MLPAPPSSSA-N 436.205 4.281 50 40 IIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 408915217 YQATZFZMSMUKRW-CIAFOILYSA-N 434.290 4.147 50 40 IIGB N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)c(F)c1 408966952 OFTXSDODFNAKDC-XODNFHPESA-N 440.434 4.162 50 40 IIGB O=C(O)COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl 409214091 QYPZHRZKUYEHLN-QPSGOUHRSA-N 447.727 4.353 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409225951 RPXNNCJEDICXSL-UFFVCSGVSA-N 444.787 4.189 50 40 IIGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)c1 639070 NNUQMLDDFZBAOT-QGZVFWFLSA-N 427.913 4.059 50 40 IIGB CCOC(=O)c1ccc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2783878 CWPIKSCLQPINOA-UHFFFAOYSA-N 433.533 4.013 50 40 IIGB O=C1N=C(O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(=O)N1c1ccc(F)cc1 33735126 OQFHJQHWSVCLEC-AQTBWJFISA-N 427.863 4.324 50 40 IIGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 107617216 MLTPXBVRDOHPDQ-KUARTLJMSA-N 434.290 4.227 50 40 IIGB COC(=O)COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1 408830844 NSCQGZTUKYCMES-VULFUBBASA-N 446.528 4.192 50 40 IIGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc(C)cc1 409128402 FLEDZNKJGUICAI-UHFFFAOYSA-N 430.460 4.017 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)[C@H](O)c1ccccc1 409351763 WOEXDGBMHUOJGR-JHXRPTDYSA-N 439.309 4.212 50 40 IIGB COc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1 409372001 XSCLOUAWZUCVBA-QFEZKATASA-N 437.883 4.130 50 40 IIGB CCOC(=O)[C@@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 716376 RJMPPBZFWKSFOQ-MOPGFXCFSA-N 437.477 4.496 50 40 IIGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1444597 VLLZCBGKTMDXMA-FBCYGCLPSA-N 447.072 4.193 50 40 IIGB CC[C@@H](C)Oc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 9262728 RZUDEVWEGFVTAM-MGMWDDNKSA-N 433.302 4.451 50 40 IIGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)cc1 408532596 QJZSJEWYEXVCAX-ZVBGSRNCSA-N 439.151 4.391 50 40 IIGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)ccc1C 408708184 ONJULUGTROWLCA-ZMOGYAJESA-N 445.361 4.176 50 40 IIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c1C 408747742 SHAGKTHTKPWJCA-HMAPJEAMSA-N 427.504 4.413 50 40 IIGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1 1421663 VROJSEOUZZAUKE-KKKYSEFRSA-N 441.487 4.418 50 40 IIGB COC(=O)c1cccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c1 1801202 DISYKLXEJVHMJI-GJZGRUSLSA-N 441.119 4.311 50 40 IIGB CCn1c(C)nc2cc(C(=O)NNC(=O)Cc3coc4ccc5ccccc5c34)ccc21 2639997 QZHLNCAUKRYIAQ-UHFFFAOYSA-N 426.476 4.268 50 40 IIGB N#C/C(C(=O)NC1CCCCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 9328142 TZZFMJJRWAFMCJ-MRCUWXFGSA-N 432.911 4.214 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)COc2ccccc2Cl)o1 408913850 RTHRDLPFVYIXRC-SSDVNMTOSA-N 429.816 4.046 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(CC)cc3)=C2C#N)cc1 409313663 QOKWOSLPZXXALC-FQEVSTJZSA-N 435.549 4.358 50 40 IIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccccc1 2397763 BFFWIKGOAVAQPS-QFIPXVFZSA-N 430.460 4.144 50 40 IIGB COc1cc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)ccc1OC(C)C 9333809 KSJCGILVSAMRMH-DHRITJCHSA-N 431.496 4.426 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(Br)cc1 59445146 VQRPZONORKTOOM-ZMOGYAJESA-N 440.297 4.196 50 40 IIGB N#CC1=C(N)N(Cc2ccccc2)C2=C(COC/C2=C/c2cccnc2)[C@@H]1c1cccnc1 101669151 IPWZEAJGWAMAMY-GOWBIRFASA-N 433.515 4.138 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OC 408805109 DTYIRYFCDUZGON-MHWRWJLKSA-N 428.872 4.145 50 40 IIGB C=CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I 408816692 WMSZYEMIHUGGLL-MTJSOVHGSA-N 446.244 4.366 50 40 IIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 408959980 BKIBPRBNFNBGCW-FSJBWODESA-N 433.376 4.152 50 40 IIGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1 409324157 RGSNABLMJQBCHF-INIZCTEOSA-N 442.924 4.277 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1Cl 409330943 CWXQNGHZHVZBIY-OAHLLOKOSA-N 427.913 4.059 50 40 IIGB O=C(NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 13021166 NXDLQLVKNLBIEA-UHFFFAOYSA-N 434.433 4.053 50 40 IIGB N#CC1=C(N)OC(c2ccccc2)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 16477927 UPCJGILEOXNSLU-NRFANRHFSA-N 432.476 4.476 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c2C)cc1 408769356 RXZLISKMZSAGQL-RWPZCVJISA-N 446.551 4.450 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1C 408795711 VZDAIFMQGXEQMF-OVCLIPMQSA-N 429.270 4.075 50 40 IIGB Cc1oc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1Br 408859859 UIDVCXDOTLONBZ-CNHKJKLMSA-N 446.164 4.497 50 40 IIGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 408875183 GVYAIGAHHLKNFU-VIZOYTHASA-N 432.261 4.462 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 408893142 FSIYDLLPFLDRLU-QGOAFFKASA-N 443.415 4.368 50 40 IIGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1 409328043 YHSUDOBKIBLAKA-RVKKMQEKSA-N 429.611 4.270 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccccc1 841835 KFJVOGNCAAAXTJ-MRXNPFEDSA-N 442.338 4.160 50 40 IIGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1888554 SCWKVYRDPGOZJZ-UYPHOHSBSA-N 436.295 4.044 50 40 IIGB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)cc1 10475792 DSZMLKHSTVAPSJ-AFUMVMLFSA-N 440.883 4.478 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)sc2c1CC[C@@H](C)C2 11689771 SAPGKLJGSXEQAH-NWFCWYBLSA-N 440.521 4.309 50 40 IIGB C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 16137094 JOPNKYCDATXUFK-YSURURNPSA-N 442.781 4.402 50 40 IIGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccc2ccccc2c1O 100090222 DXGKSFPESBAGFM-ZMOGYAJESA-N 440.297 4.442 50 40 IIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 108033874 FBZBLRGMQAXCOT-WGARJPEWSA-N 430.439 4.430 50 40 IIGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)o2)c1 408544018 UINXFHHUWSBSDV-BOPFTXTBSA-N 430.416 4.286 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 408816654 UHCYLBOKHNPSGR-DEDYPNTBSA-N 430.464 4.234 50 40 IIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 2134908 VQQBRIHYMNIHRI-AWEZNQCLSA-N 439.339 4.419 50 40 IIGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 8722634 QCJWTJKNAPBQEM-CYVLTUHYSA-N 427.460 4.258 50 40 IIGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C3\C(O)=Nc4c(C)cccc43)cc2)n1 15354349 PKRFBXCUFRPEKL-UHFFFAOYSA-N 431.521 4.430 50 40 IIGB Cc1cc2c(s1)N(CCl)C1=CC=C[C@H](Cl)[C@]1(Cl)N=C2N1CCN(C)CC1 1569985921 RFFXZIQZZCVTOQ-KSSFIOAISA-N 431.820 4.063 50 40 IIGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 10000573 YGYZXLDSKSUNNP-QNGOZBTKSA-N 428.536 4.433 50 40 IIGB COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 27904791 PWEOKHLQBRQLLG-OQKWZONESA-N 428.488 4.376 50 40 IIGB CC(C)c1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 31783247 ALIZITZFTLOUQN-WRULGYGESA-N 436.581 4.418 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 59249024 UFMUNDUTBRCKCD-DHRITJCHSA-N 438.867 4.390 50 40 IIGB CCCNC(=O)[C@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100867839 QHSXTJMUCBVYHE-HJIKLVIJSA-N 446.021 4.198 50 40 IIGB Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2nccs2)c1 408708924 VKPXCARANFFIQM-FOKLQQMPSA-N 427.917 4.246 50 40 IIGB Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 409030393 DBAKPWRECOCNMO-NTCAYCPXSA-N 434.879 4.342 50 40 IIGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)cc1 9086176 ACVSYEASDKPVMR-IBGZPJMESA-N 432.505 4.015 50 40 IIGB Cc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408782436 IGRGBVDXMVLOQU-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB Cc1ccc(NCC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1C 409001953 RFNHCAVOGMQFLI-GATIEOLUSA-N 425.872 4.477 50 40 IIGB C#CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 408963109 MQKQFPGFYJVIJV-FOKLQQMPSA-N 425.204 4.244 50 40 IIGB COc1ccc(C)cc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccccc1 408833816 VEPYFJPFWXVALX-UHFFFAOYSA-N 443.569 4.025 50 40 IIGB Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1C 408540942 DABFOUXOGWMDFE-KKMKTNMSSA-N 444.491 4.160 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OS(=O)(=O)c1ccc(C)cc1 408889480 HGVKDTHWUOIVHM-XMHGGMMESA-N 448.500 4.317 50 40 IIGB Cc1cc2c(s1)N(CCl)C1=CC=C[C@H](Cl)[C@@]1(Cl)N=C2N1CCN(C)CC1 1569985919 RFFXZIQZZCVTOQ-KBXCAEBGSA-N 431.820 4.063 50 40 IIGB O=C(NN[C@]12CCCC[C@H]1C=NN2C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16401006 MYEXQIPOGWCJQW-KKSFZXQISA-N 431.323 4.256 50 40 IIGB CCCCn1cc(/C=N/NC(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c2ccccc21 2272668 SWVOXKANXIEHRB-ZVHZXABRSA-N 438.484 4.060 50 40 IIGB CCCCSC[C@@H](O)C[C@@H](CCC(C)C)C(=O)NNC(=S)Nc1ccccc1 4733894 NFYICFLJOXJFKF-MJGOQNOKSA-N 425.664 4.341 50 40 IIGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)cc1 9693109 FCMFVVKKIXBSSI-IBGZPJMESA-N 435.549 4.486 50 40 IIGB N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)NCc1ccccc1F 58161809 IIDAGGXJUBMARD-DHDCSXOGSA-N 425.261 4.202 50 40 IIGB COc1ccc2ccccc2c1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21 408605228 LBHQDNWGVIXBOE-HXUWFJFHSA-N 434.521 4.185 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccnc1 408738137 QBSFWDYPERXHSC-BHGWPJFGSA-N 428.261 4.326 50 40 IIGB CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1O 408751663 BGBAFVPEKKEJNS-AUEPDCJTSA-N 445.235 4.265 50 40 IIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCC(=O)O 408988648 IRNQGZQJNLDMMK-LICLKQGHSA-N 440.883 4.395 50 40 IIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O)c1ccc(Cl)cc1Cl 409001112 GXZGAVPQDCSTHM-BHGWPJFGSA-N 444.274 4.421 50 40 IIGB COc1cc(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1OC 409212239 QHOGCPYDXCNMJX-AWQFTUOYSA-N 443.750 4.362 50 40 IIGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(c1ccccc1)c1ccccc1 13562684 QKLWSIXRNOBUPU-MTDXEUNCSA-N 443.503 4.111 50 40 IIGB O=C(CCCCC(=O)N/N=C1/CCCc2ccccc21)N/N=C1/CCCc2ccccc21 39344510 VMZMJGPUOORMJS-JTFGNLGHSA-N 430.552 4.260 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(C)cc1 41082792 PEGDWVXNWOYWGE-XSFVSMFZSA-N 432.476 4.278 50 40 IIGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 59333044 SGJCQVLEWLZJGE-RGEXLXHISA-N 437.927 4.169 50 40 IIGB CCOC(=O)[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)[P@](=O)(OCCCl)c1ccccc1 100900784 ZOOORKWNVPIUOR-HREMNGRMSA-N 439.792 4.427 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 408886830 JDQRCOQWNSHQSU-NBVRZTHBSA-N 436.464 4.448 50 40 IIGB CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 408970725 CQKRCMPBMDQLIY-SSDVNMTOSA-N 447.285 4.375 50 40 IIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1 863964 YUIZJOZXKPOJMZ-LFVJCYFKSA-N 436.585 4.054 50 40 IIGB CC(C)Oc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)c(OC(C)C)c1 14408723 NSZVVJSSIPJYEF-SSDVNMTOSA-N 435.318 4.493 50 40 IIGB C[C@@H](C(=O)N/N=C\c1ccc(C(C)(C)C)cc1)n1cnc2sc3c(c2c1=O)CCCC3 31858918 WZFJTCGROCNJLE-HDFLIFARSA-N 436.581 4.346 50 40 IIGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 226326928 QEBXFUHIXBJRQF-UHFFFAOYSA-N 434.117 4.337 50 40 IIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408915632 ZCVQODNMGVIGBH-BHGWPJFGSA-N 426.856 4.444 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc2ncccc2c1 408967450 RRGYZEBCPBTBSQ-WGARJPEWSA-N 443.463 4.080 50 40 IIGB CCn1c(SCC(=O)N/N=C(\C)c2ccco2)nnc1-c1ccc(C(C)(C)C)cc1 1248930 ITUQYRHHNKWNLW-HZHRSRAPSA-N 425.558 4.488 50 40 IIGB CCCCSC[C@H](O)C[C@H](CCC(C)C)C(=O)NNC(=S)Nc1ccccc1 4733896 NFYICFLJOXJFKF-PKOBYXMFSA-N 425.664 4.341 50 40 IIGB COc1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)ccc1I 9259287 AAPGYRBNVBMLJZ-UFWORHAWSA-N 449.075 4.371 50 40 IIGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc2ccccc12 101136865 XIYJDDUHBFUXPS-KBXIAJHMSA-N 437.131 4.266 50 40 IIGB COc1ccccc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 408907249 NKYLYSUSUZMMIZ-UHFFFAOYSA-N 443.569 4.025 50 40 IIGB COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)c1 606422404 WXNXTMDJELDHRL-JOCHJYFZSA-N 434.398 4.411 50 40 IIGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@]2(C(=O)Nc3ccccc32)C2=C1CCCC2=O 12372455 DPXFCTKEILIPRC-XMMPIXPASA-N 430.895 4.060 50 40 IIGB CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(NC(C)=O)c2C#N)ccc1OC 12411525 DYCVJUWRHLOGDW-LDADJPATSA-N 427.464 4.174 50 40 IIGB C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 15974895 IKUJYAQLOLZRGD-LFQGLJTNSA-N 435.524 4.089 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)ccc1OCCC(C)C 17097501 GDONQGBQNRGZRU-OAQYLSRUSA-N 431.492 4.180 50 40 IIGB COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc(C)c1C 17101647 COXRMVATGMNMMI-UHFFFAOYSA-N 437.612 4.113 50 40 IIGB CC(C)(C)OC(=O)N1CC=C2[C@H](C1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 20026761 CAVOZSAXLDQNEX-SUMWQHHRSA-N 441.944 4.062 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(Br)c(OC)c(OC)c1 33649255 PUUIOXTWUJLBND-FMCGGJTJSA-N 443.297 4.392 50 40 IIGB N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)C(=O)c1c[nH]c2cc(F)ccc12 98008688 FRMOIJASSLJQSY-PDGQHHTCSA-N 426.451 4.482 50 40 IIGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1 408540694 AYRBGBLSGJKJRW-UNOMPAQXSA-N 443.415 4.418 50 40 IIGB O=C(N/N=C/c1ccccc1F)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408973386 MHWMZDAIFZTVBX-YABZZONLSA-N 447.535 4.406 50 40 IIGB Cc1nc(COc2ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CCl)cc2)cs1 498050799 SFNSQBJKSUDFBA-ZWKOTPCHSA-N 426.966 4.066 50 40 IIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1OCC 9350828 JKIHGMAQKASSJH-OAQYLSRUSA-N 446.507 4.491 50 40 IIGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1OC 9693256 XRAMNVOSGPWSTE-GOSISDBHSA-N 439.512 4.452 50 40 IIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OC 20197956 GFYLXKWOTZABFA-OEAKJJBVSA-N 445.313 4.022 50 40 IIGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 408892555 CAMAGCFMLKVEBX-CPNJWEJPSA-N 442.427 4.158 50 40 IIGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1)c1ccccc1 409123149 FDTHWDSLLCFMKC-QZCBGFPPSA-N 429.520 4.026 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 409266236 PZIGLJKCXBHXGF-IYAOEYEUSA-N 447.922 4.422 50 40 IIGB COC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 876083 DZSJGFAOXXPURB-IBGZPJMESA-N 443.912 4.174 50 40 IIGB N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1064845 KBAYSIWVNPHRMR-FQEVSTJZSA-N 441.560 4.477 50 40 IIGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1Cl 9097121 HSIVPDOWEMCHJL-FYJGNVAPSA-N 433.942 4.356 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)o2)cc1 19640281 OXHYEGPPZONZSY-XDHOZWIPSA-N 444.443 4.075 50 40 IIGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 408719686 JTLAKFCYLAYSNX-WYMPLXKRSA-N 448.972 4.444 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccccc2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408884093 XSANVVITYQGAJH-LPYMAVHISA-N 436.380 4.068 50 40 IIGB COC(=O)c1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1 1801196 PTSBITYXMQZCRO-LSDHHAIUSA-N 441.119 4.311 50 40 IIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 2408450 MGGYQRXCADOEOI-OBGWFSINSA-N 428.492 4.151 50 40 IIGB C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2427885 IKUJYAQLOLZRGD-POZOGOQCSA-N 435.524 4.089 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1cc(Cl)cc(Cl)c1 4091329 LJWCRYZSAQVMKO-ZMOGYAJESA-N 435.355 4.254 50 40 IIGB COc1cccc(C(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 5517380 CEXZJEHNDJETTE-UHFFFAOYSA-N 426.557 4.390 50 40 IIGB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN12 13136152 UWCPMGXQZNUBJV-VABKMULXSA-N 436.511 4.481 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1 408792805 LLYWSPTUPDZMIN-WUXMJOGZSA-N 435.661 4.112 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2)cc1 408942204 YDESOPLENFWBCQ-AQTBWJFISA-N 434.473 4.014 50 40 IIGB COc1ccccc1/C=N/NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 825730 RBWWRUKIKDIAPY-IAWFGPOKSA-N 445.544 4.233 50 40 IIGB CCOc1cc(Br)cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)c1O 12859244 APLVFYVQFUUBIL-LSHDLFTRSA-N 435.318 4.008 50 40 IIGB C/C(=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Br)cc1 16137007 QNGFWHZRNLDKHY-MFKUBSTISA-N 448.320 4.458 50 40 IIGB CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OC)c1 27563404 IWPLAJZSPHDIKK-HMMYKYKNSA-N 436.508 4.201 50 40 IIGB COc1cc(/C=N/NC(=O)CSCc2ccccc2C)cc(Br)c1OC 28217641 HZHISXIBIGSNHM-UFFVCSGVSA-N 437.359 4.158 50 40 IIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Br 59437455 YZMJHESYHOTVRR-DHRITJCHSA-N 435.281 4.059 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 108238063 HNRJMLNJKICUIA-UCQKPKSFSA-N 434.477 4.468 50 40 IIGB COc1cc(C)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408567460 FAYLQGQRHBEMKA-WSDLNYQXSA-N 432.567 4.020 50 40 IIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 408728311 JPQWBXFVKPYHRX-SSDVNMTOSA-N 427.254 4.131 50 40 IIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408791665 ALJUUOVQOFBGKK-MDWZMJQESA-N 449.688 4.200 50 40 IIGB CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408803340 NTDSQNNJWCIKAE-OQLLNIDSSA-N 432.307 4.442 50 40 IIGB COc1ccc(C(=O)NNc2nc(SC)nc3sc4c(c23)CC(C)(C)OC4)cc1 2398040 VYLFCGZTLDLDRJ-UHFFFAOYSA-N 430.555 4.030 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1 9089412 QIGLOFSUJFDJND-KRWDZBQOSA-N 427.913 4.059 50 40 IIGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1 27019951 QTROTBYOYXVOKE-FXBPSFAMSA-N 442.519 4.094 50 40 IIGB Cc1ccc(Cn2c(SCC(=O)N/N=C\c3ccc(O)c(O)c3)nc3ccccc32)cc1 32576919 ADLPVOLYQZELBD-MXAYSNPKSA-N 446.532 4.047 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1F 33658342 UFVDKXCQBBTWQF-VULFUBBASA-N 435.455 4.136 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 59250258 YCDKTWMTAGTHSQ-DHRITJCHSA-N 438.867 4.390 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409005547 FCURXISVTKTTEK-CVKSISIWSA-N 431.492 4.093 50 40 IIGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 409381925 PAAJFOHTFPWQOK-SSDVNMTOSA-N 443.257 4.180 50 40 IIGB N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2266029 DUPKAPIEUBIFLZ-WEVVVXLNSA-N 436.356 4.095 50 40 IIGB CCC[C@@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 9601378 BBQGKSQJCQEFNM-FRXJQHJJSA-N 449.389 4.360 50 40 IIGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 32522859 VWDLEYFGJHQFDE-ZVHZXABRSA-N 430.489 4.025 50 40 IIGB COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1COc1cc(F)ccc1[N+](=O)[O-] 102381476 RZIVZGMOLNEQGI-ROTLSHHCSA-N 441.390 4.225 50 40 IIGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1cccc(C(=O)O)c1 408545469 ZBAGQIVJMZRTHJ-QINSGFPZSA-N 436.265 4.484 50 40 IIGB CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 408708350 PIBDGLSPFQZRPM-MFKUBSTISA-N 442.947 4.381 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I 408788000 IAMOHGYGCJLZQF-XYOKQWHBSA-N 438.652 4.499 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)/C=C/c2ccc(F)cc2)cc1OC 408867100 JWCBECAHWDCVSB-QJYQRYIGSA-N 433.277 4.325 50 40 IIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)cc(OC)c1 408868628 PCZRUXUOFHCKBD-OVCLIPMQSA-N 432.261 4.408 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1 408871842 YBJJWMMDHOQQBN-DHRITJCHSA-N 438.915 4.153 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 9346163 DMDPYMUJWHSERM-JLHYYAGUSA-N 441.274 4.003 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)n1CC(C)C 12642223 TWNHQHQACFPCRU-LYRGBEMXSA-N 433.552 4.405 50 40 IIGB C/C(=N\NC(=O)c1ccccn1)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 18192092 YSPBQMJQXBTFKK-YZSQISJMSA-N 444.516 4.190 50 40 IIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 107044311 XNAIZDSSYKSHHA-ONUIUJJFSA-N 432.476 4.006 50 40 IIGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1cccc(C(=O)O)c1 107712509 YEERKWKENABQQJ-UITAMQMPSA-N 440.047 4.048 50 40 IIGB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1 408605213 LAJDMIGNLCZEJJ-FQEVSTJZSA-N 431.521 4.109 50 40 IIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 409130234 MEZDAVCWEFYNTF-KOEQRZSOSA-N 439.581 4.019 50 40 IIGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 409313405 BVBIPCOBZZPAOD-MYYYXRDXSA-N 449.463 4.345 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2F)cc1 409370375 PUCBNAGXLIJKBC-JXAWBTAJSA-N 445.450 4.397 50 40 IIGB CCOC(=O)[C@@]1(C)c2[nH]c3ccccc3c2[C@@H](c2ccccc2OC)CN1C(=O)CCl 1083103478 HUDAMNFSLHYBAX-MZNJEOGPSA-N 440.927 4.168 50 40 IIGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)NC[C@@H]1CCCO1 2800867 BHFRVLVYSVQOGU-VKUYVZBCSA-N 436.251 4.364 50 40 IIGB O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)Nc1ccc(Cl)cc1 8399059 VBJVWFWPFDHYLM-UHFFFAOYSA-N 429.691 4.218 50 40 IIGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc(N)c1C#N 408723867 XFLGEFHYCPSIBE-GZIVZEMBSA-N 429.845 4.096 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)o2)cc1 408817897 OHGWPQSWXWFWLT-ZHZULCJRSA-N 430.460 4.355 50 40 IIGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)oc12 408971025 FXHLPCJUECTVAX-CVKSISIWSA-N 443.459 4.223 50 40 IIGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1Br 8398872 ZYKMXXFRNBUNOA-UHFFFAOYSA-N 446.128 4.376 50 40 IIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 8926310 MKLLRAUAKPPITJ-MOPGFXCFSA-N 435.915 4.000 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c(Cl)c1 10060130 RSQKGPMZESATGP-BRJLIKDPSA-N 436.851 4.360 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(OCC)cc3)c2C)cc1 10315729 PKPFBLRBVNJTFZ-WPWMEQJKSA-N 447.535 4.362 50 40 IIGB Cc1ccccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 15945787 RLXMOLOWOZQECM-OEAKJJBVSA-N 428.897 4.180 50 40 IIGB Cc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 33644648 WUPYCNHXYSWLLC-LSCVHKIXSA-N 441.079 4.192 50 40 IIGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1 38683274 AEHPTZVVWQDWPL-JOCHJYFZSA-N 444.418 4.050 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1Nc1ccccc1C 408707849 MDYNEHVXEACNTP-CVKSISIWSA-N 430.508 4.453 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2)cc1 408774631 WRAZKDWIFONSCL-YZSQISJMSA-N 449.576 4.464 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 857432 JECXWIQNLBRHAY-HSZRJFAPSA-N 434.492 4.309 50 40 IIGB Cc1sc2nc(C3CC3)nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)c2c1C 1377391 LSMWKJNULQHLLF-UHFFFAOYSA-N 446.985 4.392 50 40 IIGB CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1452847 ZMKJKZNMXOCFNE-JOCHJYFZSA-N 430.508 4.450 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 20240385 LGZAATJZOGUDAL-SGWCAAJKSA-N 442.563 4.171 50 40 IIGB C[C@H](C(=O)N/N=C\c1ccc(C(C)(C)C)cc1)n1cnc2sc3c(c2c1=O)CCCC3 31858920 WZFJTCGROCNJLE-LCJWJQHCSA-N 436.581 4.346 50 40 IIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2cccc(Br)c2)c1 59436884 BEDRNPGFLREBDM-LPYMAVHISA-N 434.359 4.181 50 40 IIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2cccc(Br)c2)o1 109044874 GOOJJGBTAXXMDO-MTJSOVHGSA-N 428.242 4.310 50 40 IIGB O=C(O)c1ccccc1-c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 408746756 GQVRIHQLLCLBMO-PKAZHMFMSA-N 440.455 4.031 50 40 IIGB CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1 1453947 LKJKQUBWHKJYKO-GXDHUFHOSA-N 429.270 4.180 50 40 IIGB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)c1 408680731 DUQWRIFEXITYEX-PJBUMPDVSA-N 442.309 4.297 50 40 IIGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(Br)o1 408996188 LJCVRBNZFXVWLA-REZTVBANSA-N 432.137 4.188 50 40 IIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)c1 409156472 SJWMBPWPNPXARO-XSFVSMFZSA-N 426.520 4.426 50 40 IIGB O=C(c1ccccc1)N(NC(=O)[C@@](O)(c1ccccc1)c1cccs1)c1ccccc1 825207 DINVQRDGOCTSCM-RUZDIDTESA-N 428.513 4.362 50 40 IIGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1 985872 QUUABXLNZPWOSE-FQEVSTJZSA-N 428.492 4.280 50 40 IIGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 1052876 NVNWYTHICAGEKF-DNTJNYDQSA-N 432.101 4.294 50 40 IIGB Cc1c(Br)cc(NCC(=O)N/N=C/c2ccccc2F)cc1Br 1054728 PBPSSTZXRFTDLC-ODCIPOBUSA-N 443.114 4.221 50 40 IIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 20209221 USHSFRKZAHIHEG-SSDVNMTOSA-N 442.368 4.033 50 40 IIGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1cccc(Br)c1 20533321 DXHDTGAXBGNEJK-INIZCTEOSA-N 430.327 4.257 50 40 IIGB Cc1cc(Br)cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c1O 30937371 RAZWSZBUTSPEPL-ODCIPOBUSA-N 425.710 4.262 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)c(C)c1 408789307 ITSIIULYTNMICY-OVCLIPMQSA-N 429.270 4.075 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1 408922037 DNESTYKIEWHNHV-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)o1 408925974 VQDCBGMZQZJGQD-BUVRLJJBSA-N 430.420 4.418 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(C)cc1 934901 YCYFNVIEWFDYHN-TVJQZGFISA-N 446.359 4.474 50 40 IIGB Cc1ccc(C(=O)NNC(=S)Nc2cccc(Cl)c2)cc1NC(=O)c1ccco1 9318399 YYNPFWOCLNOAIE-UHFFFAOYSA-N 428.901 4.125 50 40 IIGB O=C(NNC(=O)c1ccccc1COc1ccccc1)c1ccccc1Br 15628643 VXAXGPASSWTOIW-UHFFFAOYSA-N 425.282 4.103 50 40 IIGB O=C(Nc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 25722472 RMFOWFIBDXSGKN-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cccc(I)c1 59249338 MIKYAEDAFPZZRH-CIAFOILYSA-N 449.679 4.499 50 40 IIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccn2-c2ccc(C(=O)O)cc2)c1 408933169 IBNJFJVMHTYAFZ-WGOQTCKBSA-N 426.476 4.347 50 40 IIGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1 409328040 YHSUDOBKIBLAKA-DAYGRLMNSA-N 429.611 4.270 50 40 IIGB CCOC(=O)[C@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 716374 RJMPPBZFWKSFOQ-RBUKOAKNSA-N 437.477 4.496 50 40 IIGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 4178672 ZGWCCCQTRLXSAJ-IERDGZPVSA-N 442.910 4.157 50 40 IIGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1 14801318 HXNNODIAGPGKPW-UHFFFAOYSA-N 439.880 4.475 50 40 IIGB O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cccc2ccccc12 16526261 DUAXVWHIWYVCJV-UHFFFAOYSA-N 433.689 4.096 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(C)cc1 34889071 LCFBYCCYOZLLFO-CVKSISIWSA-N 431.492 4.305 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1Br 408567420 DQLXSASKUQOPRU-RGVLZGJSSA-N 437.384 4.457 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(SC)cc1 408602312 BQPPPJMEUHGGTD-FQEVSTJZSA-N 448.573 4.494 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@H]1c1ccccc1 409337418 YHHORXVJFAWRJW-AWEZNQCLSA-N 431.439 4.416 50 40 IIGB O=P(CNP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 2301285 DFEVUTWWWLLFDT-UHFFFAOYSA-N 431.412 4.477 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1cc(C)ccc1C 9969780 DEILPGOHBLSXGT-WPWMEQJKSA-N 433.508 4.319 50 40 IIGB CN(c1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 20232977 WQVPKRNYHFICML-ZVHZXABRSA-N 445.903 4.068 50 40 IIGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CC2(C)SCCS2)c1C 408592528 YZKXBZLTCHCHJW-CIAFOILYSA-N 432.571 4.347 50 40 IIGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1 408611793 WOLDNSVZJMQDSX-HXUWFJFHSA-N 447.510 4.463 50 40 IIGB Cc1nnc(NC(=O)CCCC(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)s1 408676815 AHRPWNFYVPGIAI-CQSZACIVSA-N 444.340 4.032 50 40 IIGB CCc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 408776472 OZWQDZOKSOSGLU-UHFFFAOYSA-N 427.570 4.189 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC 408854576 IRRMZMCUSSUSCX-NTEUORMPSA-N 429.245 4.154 50 40 IIGB CN(C)c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408949418 IAXLWNLGXMMPGH-BOPFTXTBSA-N 437.341 4.262 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)cc1 409204063 ADJUBKZWJHGVAW-JEWPKMHUSA-N 428.492 4.028 50 40 IIGB COc1ccc(C(=O)N/N=c2/oc3c(OC)cccc3cc2-c2nc3ccccc3[nH]2)cc1 8450413 LVJHYJADFRMHQK-XLVZBRSZSA-N 440.459 4.239 50 40 IIGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1O 9288173 UAOARXMJHKJZGZ-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc21 208249008 OWRSAHMGINURAB-KPQXCZDLSA-N 444.919 4.499 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCCCC2)o1 408569998 RJPLUCXTLITVEK-HYARGMPZSA-N 431.583 4.278 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OC 408676197 GXHYXKICYTYUCJ-OEAKJJBVSA-N 446.345 4.221 50 40 IIGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1cccc(Cl)c1 408793559 FJPRGXDEUTXNKZ-WUXMJOGZSA-N 435.661 4.112 50 40 IIGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 409121885 VMXURWWDCQASFE-WGOQTCKBSA-N 435.911 4.440 50 40 IIGB CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)NN)c(Br)c1 694687 STVQZCGUWITIQT-UHFFFAOYSA-N 436.188 4.294 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc(Br)c1O 875029 GDPYQRQSPADDPZ-LSHDLFTRSA-N 435.318 4.008 50 40 IIGB COc1ccc(Br)cc1/C=C/C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 9283626 OLKONYCEHBXDAH-GORDUTHDSA-N 447.373 4.225 50 40 IIGB CC(C)OCc1c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)oc2ccccc12 13865296 XLLMPIOPOZFYFR-UHFFFAOYSA-N 431.448 4.356 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 33388683 VLKSOIGNOGFDSD-KEBDBYFISA-N 447.314 4.402 50 40 IIGB COC(=O)c1c(NC(=O)CBr)sc(Br)c1-c1ccccc1 35569159 PIEPLWXJQXPEDJ-UHFFFAOYSA-N 433.121 4.298 50 40 IIGB COc1ccc([C@H](C)[C@@H](Br)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1 39574118 QLTVSTXOWFRMFJ-POZUXBRTSA-N 432.314 4.152 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c(C)c1 408644069 GTELGIGMJLTPGS-XLIONFOSSA-N 431.891 4.219 50 40 IIGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Br)OCO2 408719908 PKTCRQFYVQNDEO-AWQFTUOYSA-N 441.734 4.464 50 40 IIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1 408846733 RREPMRKDBXCSNB-CFRMEGHHSA-N 431.323 4.379 50 40 IIGB CC(C)=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 408923603 YFRILZMFVKTKMQ-UHFFFAOYSA-N 447.866 4.066 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)=C2C#N)cc1Cl 409330804 BMLRTMKXWHWKFW-DZKIICNBSA-N 447.988 4.210 50 40 IIGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccc(Br)cc1 409384755 FWNHBGCLPXOFOT-ZMOGYAJESA-N 425.330 4.419 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2cccc(F)c2)c(OC)c1 716157 CUGLGCJVQMLXIH-QFIPXVFZSA-N 438.455 4.058 50 40 IIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Cc2ccccc2Cl)ccc1O 9905845 VONYJPYVDQNUSP-ZMOGYAJESA-N 439.855 4.074 50 40 IIGB COc1ccc(/N=C\c2ccc(O)c3c2OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 12420342 LUEAAPNNQZNVNX-OJAWRPIQSA-N 442.431 4.278 50 40 IIGB O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444718 KKZCBZZRGTYQAX-MZJWZYIUSA-N 441.409 4.373 50 40 IIGB O=P(Cl)(OC1=NCCN1Cc1ccccc1)OC1=NCCN1Cc1ccccc1 100357734 MMBRATGGMDFQKE-UHFFFAOYSA-N 432.848 4.110 50 40 IIGB Cc1cccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)c1 138602851 DUQWRIFEXITYEX-CPPNMTBBSA-N 442.309 4.297 50 40 IIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(OC)cc3)c3ccccc32)c1 408542738 KVIURSRFCUBBMS-JFLMPSFJSA-N 441.487 4.249 50 40 IIGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1 408770904 CHEBCZONCFLPRX-GIJQJNRQSA-N 443.628 4.007 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c(OC)c1 408841071 FKEXARUCFYPSER-NWISJUAVSA-N 429.476 4.120 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(OC)cc3)c2C)c1 408967309 PWLPJOUDWVFFKZ-MYYYXRDXSA-N 434.496 4.435 50 40 IIGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408975774 NBBQPXYGWSQLDR-FOKLQQMPSA-N 441.278 4.057 50 40 IIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccccc1Cl 3254336 PEWSVEPZDHWVKE-VGOFMYFVSA-N 435.705 4.472 50 40 IIGB CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OC)cc3OC)CC(=O)N2C1 6135438 FWFNFRMKGJIXRG-IBGZPJMESA-N 435.549 4.486 50 40 IIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 9086665 SVCRMSDOBFNWIB-AFUMVMLFSA-N 429.411 4.351 50 40 IIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1 9635646 LOBUIPQUQNCRCA-UHFFFAOYSA-N 448.416 4.468 50 40 IIGB Cc1ccccc1CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708457 QIDNAWGHZPPRTQ-MZJWZYIUSA-N 438.890 4.298 50 40 IIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2ccccn2)o1)c1ccccc1 408991394 NSMVMWMQTSPASB-WORIPGKHSA-N 438.509 4.153 50 40 IIGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccccc1C#N 409197870 QPKKKJUEMRFAEY-WWUWQWKFSA-N 438.487 4.293 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 14407877 OUGBBDXSNSWKFH-OEAKJJBVSA-N 431.477 4.202 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)ccc2C)c(OC)c1 27563632 CZHDTIPNGLCUDM-RCCKNPSSSA-N 448.519 4.286 50 40 IIGB COc1ccc([C@@H](CN/C=C(\C#N)S(=O)(=O)c2ccccc2)N2CCCCCC2)cc1 28405436 ONIGPSPHMGELEG-SGXRDAIWSA-N 439.581 4.041 50 40 IIGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@@H]1c1cccs1 409127104 GRMMWFLOGSZAID-ZDUSSCGKSA-N 437.468 4.477 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 409269509 JWXDFXGGHMVQAH-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4cccc5ccccc45)c(=O)c23)C1 6166478 XZPKAZQRSNNOOQ-CWXNWQNDSA-N 444.560 4.447 50 40 IIGB O=C(N/N=C/c1ccc(Br)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 8780732 XEUVFZGIDZUKNH-YDZHTSKRSA-N 434.765 4.465 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 27563605 YDEFIDSTPLMFSP-XMHGGMMESA-N 448.519 4.186 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(C)=O 408758825 SANOYBLVVNDEBR-OQLLNIDSSA-N 429.270 4.319 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)O 408796558 PGUKOZRZPSGMRI-LZYBPNLTSA-N 428.872 4.365 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O[C@H](C)C(=O)O 409009726 BOQRAJLQOGJEPZ-NUBYWOLOSA-N 435.263 4.400 50 40 IIGB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 10735682 XKNHKRKPMHLWCX-UHFFFAOYSA-N 434.452 4.193 50 40 IIGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240432 KCJPODWBEVSLTC-MTDXEUNCSA-N 446.982 4.422 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)c1 33528553 HHOPAIBMCNYDHC-WSDLNYQXSA-N 429.270 4.490 50 40 IIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 59333169 WZQTWMPXOWOORU-MNDPQUGUSA-N 441.487 4.209 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 59922125 MSNNSYLSEPXRQO-BUVRLJJBSA-N 447.988 4.014 50 40 IIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccc(OCc2ccccc2)c1 102090712 XVOLROACLVEHOE-QFIPXVFZSA-N 434.451 4.407 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3O)o2)ccc1Cl 409391625 KHGVHLYNDVOZPR-WYMPLXKRSA-N 442.855 4.255 50 40 IIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccccc3)cc2)cc1 821228 IURIYGYZZMSJTF-CVKSISIWSA-N 447.560 4.396 50 40 IIGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(N)=O)cc1 1887585 TUGVXURWYLOISV-SWEXZPIWSA-N 432.332 4.213 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccco1 13027471 DQHITWLOEDBUSD-WSDLNYQXSA-N 443.253 4.034 50 40 IIGB Cc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21 18173610 WQZCTGHENMNKEA-QDUHJBTASA-N 429.520 4.231 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OC 20859586 UBTPZNRQAPYFAJ-NTEUORMPSA-N 431.286 4.411 50 40 IIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1C 35146198 QOLIHVRTNLHZHY-CFRMEGHHSA-N 440.887 4.357 50 40 IIGB CCN(CC)C(=O)c1cccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)c1 96305240 OFXQCMSCXBJBHD-MNOULKQQSA-N 436.556 4.340 50 40 IIGB CCOc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 211038874 UQACHZXLKOMVLH-HKOYGPOVSA-N 445.585 4.127 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408787680 DNBRJCUJSIDFNT-KPKJPENVSA-N 435.661 4.112 50 40 IIGB COc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 409377102 DKMIXKKGUGKPAX-XDJHFCHBSA-N 427.460 4.258 50 40 IIGB O=C(CCl)N[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1707528 RMLKBXRDYWVPFP-JOCHJYFZSA-N 435.907 4.046 50 40 IIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c1 2134931 BLGXNFOLTTYDGW-UHFFFAOYSA-N 445.947 4.025 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)ccc1Cl 408535673 ZNXVZQFFAQXYQY-ZMOGYAJESA-N 426.856 4.306 50 40 IIGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1 408831329 PZCWEIGTSKEJTI-CVKSISIWSA-N 448.544 4.436 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1 408883300 SNIVQYSLCVNZJF-GXDHUFHOSA-N 434.364 4.317 50 40 IIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1ccccc1-n1cccc1 408900590 WKVUIDXSRYUILQ-XIEYBQDHSA-N 445.500 4.009 50 40 IIGB COc1ccc(CCCC(=O)N/N=C/c2cc(Br)c(OC)cc2OC)c(C)c1 408906713 JUCOCZXOJROHSO-YDZHTSKRSA-N 449.345 4.256 50 40 IIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)cc1 409130828 WNMHMDAOLWMOBD-BUVRLJJBSA-N 441.940 4.237 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 2410232 BKSXIWWQKIWHCQ-SAPNQHFASA-N 440.434 4.480 50 40 IIGB O=C(N/N=C\c1cccs1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 8763034 FDQWXQJIONVIIZ-FINSYCMTSA-N 426.338 4.394 50 40 IIGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c2ccccc21 13567615 FYLLGQZITCRMSK-AREMUKBSSA-N 442.494 4.041 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1coc2ccc(Cl)cc2c1=O 16431160 GXVOQMFNRIIJJV-QPJQQBGISA-N 425.655 4.282 50 40 IIGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC3(C)OCCO3)c2C)cc1C 20243835 LDPIWQJSHHSCJA-FSJBWODESA-N 448.361 4.077 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 33524608 BJIYJRSQDQQPFE-CVKSISIWSA-N 434.492 4.364 50 40 IIGB COC(=O)c1ccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1 59501523 IYWDAKZZEJTSNS-MZJWZYIUSA-N 427.504 4.374 50 40 IIGB C[C@@H]1CC2(CCCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cccc1c32 95115726 IWMLXEGTYCDVEI-PVPMGCCUSA-N 429.520 4.212 50 40 IIGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 408692535 OPOBKWSQNMKGNE-OPEKNORGSA-N 443.866 4.357 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2C)c1Nc1ccccc1C 408708853 URIFTCOXCHJXFM-VULFUBBASA-N 434.471 4.284 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cc(C)ccc2C)cc1 408772475 LWOXMTHYNGZXNL-UHFFFAOYSA-N 427.570 4.243 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(Br)c2)cc1Cl 408988285 QHOOQDCHCRBWKX-MLPAPPSSSA-N 449.688 4.420 50 40 IIGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)cc2)cc1 409006091 HPTYXXXNVBHBKX-MBTHVWNTSA-N 444.535 4.192 50 40 IIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409240757 PRIUGFXUQJQBMN-GGPGUOJZSA-N 436.965 4.175 50 40 IIGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccccc1[N+](=O)[O-] 3175101 WFNSHIVFJSUECB-SRZZPIQSSA-N 428.242 4.040 50 40 IIGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccc(Cl)c(Cl)c4)ncnc32)cc1C 10386964 FPQGGTZPMURZND-UHFFFAOYSA-N 427.295 4.496 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1cccs1 12466248 CDPWNLXTSDFGAY-FSJBWODESA-N 444.896 4.158 50 40 IIGB C[C@@H]1CCc2[nH]c3c(C(=O)NNC(=O)c4ccccc4Br)cccc3c2C1 32913982 DAIARXZLJCVHGV-GFCCVEGCSA-N 426.314 4.130 50 40 IIGB C[C@H]1CCc2[nH]c3c(C(=O)NNC(=O)c4ccccc4Br)cccc3c2C1 32913983 DAIARXZLJCVHGV-LBPRGKRZSA-N 426.314 4.130 50 40 IIGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 58914627 IWMLRAXNQUZNJE-YVNNLAQVSA-N 447.234 4.250 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1 59333622 RUARESIXVKREAC-YVLHZVERSA-N 429.314 4.422 50 40 IIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3sccc3C)cc2)CC1 408860149 SOVURQOJYKGBMH-YZSQISJMSA-N 448.592 4.151 50 40 IIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccn1-c1cccc(C(=O)O)c1 8916840 XTKIVJTVLVKVNG-WPWMEQJKSA-N 439.471 4.372 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccccc1Br 39324361 UIOMSMYYZGBLQL-QGZVFWFLSA-N 425.282 4.231 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1cccc(C)c1 408718679 UOZIEWGSHOZOQU-QQXSKIMKSA-N 432.476 4.385 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1 408799720 HVZFWQZNNFTBIR-LDADJPATSA-N 445.431 4.434 50 40 IIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)ccc1OC 409322464 XMIFRUDWTFQNOB-MYYYXRDXSA-N 449.463 4.345 50 40 IIGB O=C(O)/C=C/C(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@@H]2Br 1602351 BOHCVBKSPQRENQ-RTRPANQVSA-N 437.087 4.493 50 40 IIGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC3(C)OCCO3)c2C)c(C)c1 20243832 WNOLVFKLTXNYTN-FSJBWODESA-N 448.361 4.077 50 40 IIGB CCOc1cc(/C=N\NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 33352472 XWTSUJDZMVUXAH-XKZIYDEJSA-N 429.429 4.071 50 40 IIGB O=C(O)c1ccc(Cn2cc(/C=N\NC(=O)c3cc4ccccc4o3)c3ccccc32)o1 107704615 WNCQUJLWYHEMGE-ROTLSHHCSA-N 427.416 4.491 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408793845 QIIBMSHUTQJIFQ-OQLLNIDSSA-N 425.828 4.205 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Br)c1)C(N)=O 408887231 MZMXWOSNQKWLIE-NTUHNPAUSA-N 436.103 4.183 50 40 IIGB Cc1cc(NC(=O)N/N=C\c2ccc(O)c(Br)c2)ccc1Br 408904029 COIAUDZEGJTCDV-LSCVHKIXSA-N 427.096 4.381 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)cc1Cl 408969132 HXHZNIIEUBDWEO-BRJLIKDPSA-N 426.879 4.284 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc(Cl)c1O 2752844 ZMQXDUFZBYAPMT-DHRITJCHSA-N 437.883 4.379 50 40 IIGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 3251120 GALCGANTOHPANX-DHRITJCHSA-N 440.415 4.265 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(F)cc1 3669926 ZJYGIGFFFPINCR-DHRITJCHSA-N 425.847 4.147 50 40 IIGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC 17098322 FEDNLSYJHNSWTK-RMORIDSASA-N 433.295 4.094 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 38602914 KOJYPKWSLJEWLU-LPYMAVHISA-N 438.487 4.078 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38658306 SWIPCNUWIQOFEI-DEOSSOPVSA-N 442.471 4.450 50 40 IIGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])o2)cc1Cl 39402861 JARFDWTWGIRKPT-SSDVNMTOSA-N 429.816 4.046 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)OC 408792242 ACHGNYFAOBNIQI-RIYZIHGNSA-N 449.290 4.490 50 40 IIGB Cc1ccc(CN2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3ccccc32)cc1 663557 DRJNORTVCFVJAY-HHHXNRCGSA-N 439.515 4.147 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1O 5948448 LFVWQENRFJEQRW-LPYMAVHISA-N 428.286 4.108 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cc(Br)ccc1F 17143671 NYHIUOIDSVZVPC-QGZVFWFLSA-N 443.272 4.370 50 40 IIGB C[C@H](Oc1ccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1)C(=O)O 59249130 SPOOZZRTBVSBGU-ATYVMVDZSA-N 445.686 4.028 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408939856 IMJMWECQQSULSU-DHRITJCHSA-N 438.915 4.276 50 40 IIGB CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC)c(OCC)c1)C(C#N)=C(N)O2 814151 IONOYXAKNPZHOP-JOCHJYFZSA-N 430.508 4.450 50 40 IIGB C[C@@H](C(=O)N/N=C\c1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 6166256 DZOASSUFGCENIP-GUUVYQKGSA-N 449.363 4.355 50 40 IIGB CC1(C)CC2(CCCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cccc1c32 14162355 DYPWNFLFWCPCDR-HHHXNRCGSA-N 443.547 4.386 50 40 IIGB Cc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)c(C)c1 16284766 UGAZGBVDSKIWJQ-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408568484 JQZSIHGEYKUBHI-MLPAPPSSSA-N 429.835 4.370 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 408725224 GCHSVYYQWPQBLW-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 408771807 IFUXLBNTDQWAQM-YYADALCUSA-N 449.576 4.315 50 40 IIGB O=C(N/N=C/c1ccc(O)c(I)c1)c1cc2cc(Cl)ccc2o1 408961554 CXLKUGOTYLDMBM-UFWORHAWSA-N 440.624 4.160 50 40 IIGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 409066563 WAAJASVUJLYVFI-RCCKNPSSSA-N 444.487 4.158 50 40 IIGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)CC2=O)cc1 409165231 VBLZGYWKDWWAIY-TYNJROEQSA-N 441.531 4.331 50 40 IIGB COc1cc(OC)c(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br 8842925 YIYDPPBJLKLRHQ-AUEPDCJTSA-N 445.235 4.178 50 40 IIGB COc1cc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)ccc1OCc1ccccc1 9320268 UQWBTWQEZYCICH-ZVHZXABRSA-N 432.505 4.490 50 40 IIGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc(C)cc3)c(=O)c21 9971040 QRTMNTLXRQPMKE-HSZRJFAPSA-N 427.504 4.130 50 40 IIGB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 12914982 PDEBNTDLTNNOOB-UHFFFAOYSA-N 435.572 4.320 50 40 IIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CCC2 13567712 ANMMDTDQTSTJFH-DEOSSOPVSA-N 430.895 4.060 50 40 IIGB O=C/C(=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2cc(Cl)ccc2o1 16401981 LAUQWTBNZSYPLT-SQFISAMPSA-N 445.928 4.308 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)cc(O)c1O 23216255 FTBCEGIOVCXFSR-BRJLIKDPSA-N 440.883 4.411 50 40 IIGB CCCC(CCC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 59515889 GVKQUYZPKZIWOY-UHFFFAOYSA-N 443.613 4.301 50 40 IIGB O=C(OC(CCl)CCl)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc2ccccc2s1 98045895 AEOWODMAAPJXJN-CJTUPEFNSA-N 425.337 4.063 50 40 IIGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 226768817 PANCOQSKHLIJLI-UHFFFAOYSA-N 438.827 4.063 50 40 IIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)cc1 408861901 BRHBAABQGAAGRU-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Br)OCO2 408863406 MMOYRQRPKINUMW-FBCYGCLPSA-N 427.707 4.074 50 40 IIGB O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 409001129 HBQSBDWBFAPBPZ-QFIPXVFZSA-N 429.476 4.184 50 40 IIGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3Cl)CC2)c1 409004817 DULUSULCIQSSKA-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 1774092 DNCVCSBVOXTCML-SDNWHVSQSA-N 425.466 4.257 50 40 IIGB CCN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccccc2Cl)c2ccccc21 3221965 DTWPHOHZDLBLJF-ROMGYVFFSA-N 433.895 4.420 50 40 IIGB Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@]2(C(=O)N(C)c3ccccc32)C2=C1CCCC2=O 13567732 XIXAWZYSTJPCKI-VWLOTQADSA-N 444.922 4.084 50 40 IIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1 20764669 HJJOFXAXXMMPNM-JVWAILMASA-N 429.476 4.308 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OC 59333215 SFAIQXKDRGQROV-AQTBWJFISA-N 425.916 4.003 50 40 IIGB O=C(N/N=C/c1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Cl)CC1 409005400 IIXKEHMGEKLHKN-LGJNPRDNSA-N 437.849 4.361 50 40 IIGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 409222533 DVWXXKYBWFGWOD-XMHGGMMESA-N 427.460 4.264 50 40 IIGB Cc1ccc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)o1 695254 ZRHQNCWHIFPMQG-AFUMVMLFSA-N 446.536 4.023 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(F)c(Br)c1 705789 NRKDLQMIKUOCBF-KRWDZBQOSA-N 443.272 4.370 50 40 IIGB C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C(/C)c1ccccc1 8399091 IDBPFURZJYSCTB-UEVJXJNKSA-N 434.569 4.097 50 40 IIGB CCCNC(=O)N(NC(=O)NC1CCCCC1)c1nc(-c2ccc(OC)cc2)cs1 8754515 HZYHZKACAQYXPU-UHFFFAOYSA-N 431.562 4.292 50 40 IIGB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NNC(=O)c1cc2c(s1)CCCCC2 10470205 QWRLSRYHWJFEDA-UHFFFAOYSA-N 445.491 4.344 50 40 IIGB COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)c1OC 12275582 FLYKGYJQPXPRML-KSFYIVLOSA-N 442.924 4.000 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OC(C)C 408569292 MXVWPUIZPSGVBM-YDZHTSKRSA-N 446.594 4.490 50 40 IIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1cccc(Cl)c1 408870254 WBDVHPNBUOPEDW-MKMNVTDBSA-N 435.705 4.472 50 40 IIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 408963138 MXNPGQYOGQXFIE-FOKLQQMPSA-N 433.376 4.372 50 40 IIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12CN(Cc1ccccc1)c1ccccc12 8781277 DGUNENBAADIKJO-HHHXNRCGSA-N 433.467 4.186 50 40 IIGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 38683186 VHULBEOSCJOLMK-QHCPKHFHSA-N 440.455 4.219 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)=O)c1 408765249 UVCLPAQTKIQQBD-OQLLNIDSSA-N 429.270 4.319 50 40 IIGB CCOC(=O)Cn1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21 409212162 PRFIJJWKGVATTN-FOKLQQMPSA-N 429.929 4.100 50 40 IIGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1OC 409317537 VCZSSPPCLJJPHN-YSMPRRRNSA-N 448.475 4.135 50 40 IIGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)o2)c([N+](=O)[O-])c1 2774041 GWEOSOOVZVKYKE-JLHYYAGUSA-N 433.376 4.107 50 40 IIGB COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1 6190619 PHKSEWZBJCNCMK-QMFOPCRCSA-N 443.547 4.118 50 40 IIGB O=C(O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2[C@@H]1C[C@@H](Sc1ccccc1[N+](=O)[O-])[C@H]2Cl 6445775 XFUDWICYIROLJB-RCFVTILOSA-N 449.872 4.254 50 40 IIGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1 38683277 AEHPTZVVWQDWPL-QFIPXVFZSA-N 444.418 4.050 50 40 IIGB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1 96892668 ONYSHAVUKFUPTJ-MNTXUITRSA-N 433.508 4.213 50 40 IIGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 408814398 ZDIYHHYSJPDZOV-CXUHLZMHSA-N 435.307 4.251 50 40 IIGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(O[C@@H](C)C(=O)O)cc2)c1 408852742 MZKXUQDFSKLPAW-INIZCTEOSA-N 439.899 4.363 50 40 IIGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(Cl)c(Cl)c1 409094073 CQYCWFZMNRBROT-NGYBGAFCSA-N 433.045 4.134 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409161157 YXMFFZANLKHFLQ-IYAOEYEUSA-N 447.922 4.422 50 40 IIGB C/C(=N/NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1)c1cccc(Br)c1 6014068 YBZZODREJYSRIR-VFOSSOBBSA-N 431.330 4.427 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 9244123 URAFKAGFRYTJNF-HXUWFJFHSA-N 432.480 4.101 50 40 IIGB CSc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(C)cc2)cc1 19956768 QLBNPJSNNUFMKG-UHFFFAOYSA-N 445.610 4.349 50 40 IIGB Cc1cc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)ccc1Cl 32581105 CPIIDIKNNHUSLD-IFRROFPPSA-N 432.101 4.299 50 40 IIGB COc1ccc([C@@H]2CC(=O)N3CN([C@H](C)c4ccccc4)CSC3=C2C#N)cc1OC 102025971 CQFCJCBEYIFKDC-APWZRJJASA-N 435.549 4.480 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 627415 BNWCNNKNGWVYRI-KRWDZBQOSA-N 425.282 4.231 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 934908 ARHGGFRMCWCRFO-IGCAKMCNSA-N 446.359 4.474 50 40 IIGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccnc1 9019146 STJDMRUFRHHAME-STZFKDTASA-N 429.596 4.166 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(SC)cc2)C(C#N)=C(N)O3)cc1OC 9308605 RXZAEDZTAKWEBA-IBGZPJMESA-N 434.521 4.424 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccnc2Cl)c(C)n1CCC(C)C 9981256 ZMDBMMLNGYLXBU-WOJGMQOQSA-N 428.920 4.288 50 40 IIGB C/C(=N/NC(=O)COc1ccc2ccccc2c1Br)c1ccc([N+](=O)[O-])cc1 12575974 KHLFBNHSDDGKQW-XKZIYDEJSA-N 442.269 4.430 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OC 13345116 YYCAJWNCEFMOHP-MDWZMJQESA-N 445.269 4.100 50 40 IIGB Cc1ccsc1/C=N\NC(=O)COc1ccc(Br)cc1Br 33334053 AQZFXLSEMZOHQK-IDUWFGFVSA-N 432.137 4.111 50 40 IIGB C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 408610586 OKAXQGYULSFQQC-CIRUFVMISA-N 435.911 4.247 50 40 IIGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1cccc(C)c1 409146989 LZGOLNVLZHEIIA-UHFFFAOYSA-N 430.460 4.017 50 40 IIGB NC(=S)N/N=C1/c2cc(Cl)ccc2-c2c(NC(=O)C(Cl)Cl)cc(Cl)cc21 4984610 FHDOVIVGTXHLOM-QRVIBDJDSA-N 448.162 4.302 50 40 IIGB N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccnc1 6474956 RXMIPBWQAXNQNI-QMHKHESXSA-N 433.471 4.133 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC 16688355 ISBGWJJCSBYOOF-ZROIWOOFSA-N 431.286 4.498 50 40 IIGB COC(=O)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59505967 MJPYFDDRWRTUEF-FSJBWODESA-N 436.295 4.039 50 40 IIGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408725881 JCMFEAQXFVOQDB-ZVHZXABRSA-N 449.488 4.198 50 40 IIGB COc1cccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)c1 408785153 YFBMZWMSWWRYJD-UHFFFAOYSA-N 437.606 4.238 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)c(C)c1 408792431 BENAKTVCCZJNRY-OVCLIPMQSA-N 429.270 4.075 50 40 IIGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 409322424 XAIKYNJHQPKDKO-HNNXBMFYSA-N 435.977 4.069 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)cc1 409324358 SKLPHUIAZMQQKE-LJQANCHMSA-N 435.549 4.413 50 40 IIGB CC(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 2312227 SMHSCPRUWMOUBR-AZPGRJICSA-N 427.504 4.256 50 40 IIGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCC1 16491326 OCPAZNWHFXESAZ-UHFFFAOYSA-N 440.352 4.235 50 40 IIGB C[C@H](/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccccc1 36235371 SUYCGLLIWZMDOA-RLGQPLRESA-N 441.487 4.092 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OC)c(C(=O)OCC)c1C 408546458 JRVSZIUVXNIJIM-LFIBNONCSA-N 441.505 4.137 50 40 IIGB Cc1cccc(C)c1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408654980 RBMVPJKZYAMLRP-IEBWSBKVSA-N 431.891 4.219 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408781924 DBENZJWJBVFEHA-FMCGGJTJSA-N 426.860 4.185 50 40 IIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OC(=O)c2ccccc2F)c1 408957049 SDJXORWQEDRXCO-DHRITJCHSA-N 449.463 4.429 50 40 IIGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)C2(CCCCC2)[C@@H](C#N)C(=O)N1 8856853 RAHDJIAMNKJXHG-AWEZNQCLSA-N 428.945 4.275 50 40 IIGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 9311024 NIDLDOYYOVFBLR-YVLHZVERSA-N 427.298 4.246 50 40 IIGB Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@@]2(C(=O)Nc3ccccc32)C2=C1CCCC2=O 13567729 MVKLFIXWRWOSCJ-XMMPIXPASA-N 430.895 4.060 50 40 IIGB O=C(CSc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 16491602 NDZWEMVWFMZCAX-AFUMVMLFSA-N 437.496 4.086 50 40 IIGB CC/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc2c(c1)OCCO2 408720174 VHGGYDPBBCFLDR-OQKWZONESA-N 449.370 4.384 50 40 IIGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(=O)OC)cc3)[nH]n2)cc1 9375144 WGFRYARPYLSXQZ-PCLIKHOPSA-N 434.496 4.196 50 40 IIGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(Br)cc2Cl)cc1 18060786 HTSOKMNQDCHGMW-GXDHUFHOSA-N 427.707 4.362 50 40 IIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28214067 YMRJJFCUNWAWMY-OAKZWBAKSA-N 439.581 4.145 50 40 IIGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 28215673 YOAYUAFZELUCQT-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB CC(C)(C)OC(=O)NN/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 38174410 YRLYMZUTAJAHAM-QINSGFPZSA-N 447.413 4.263 50 40 IIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(Cl)cc(Cl)c1O 252426635 IIDDYHOTWJZDCQ-UHFFFAOYSA-N 440.286 4.317 50 40 IIGB Cc1cccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)c1 408680730 DUQWRIFEXITYEX-MUJBESKKSA-N 442.309 4.297 50 40 IIGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNc1c(Cl)cc(Cl)cc1Cl 3432665 HDAGELRHKLJGSS-UHFFFAOYSA-N 426.687 4.166 50 40 IIGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1c(C)cccc1C 408707686 LTHYNUYDEUSRDP-AQXNZCSYSA-N 445.361 4.174 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OS(=O)(=O)c1ccccc1 408887688 QJQXAMISWIXYFF-NBVRZTHBSA-N 434.473 4.009 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(Cl)cn34)c2C)cc1 681132 IIUHYPAQPHJSRA-BRJLIKDPSA-N 435.915 4.476 50 40 IIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)/C=C/C(=O)O)cc1 19634958 HCHJZOWJLRHHJP-KJPJOEQOSA-N 441.896 4.288 50 40 IIGB COCCCNC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 408804465 AELCEBMCNTZLFX-QGOAFFKASA-N 429.314 4.088 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 408873495 UUYCOADPBXEFAO-LGJNPRDNSA-N 443.334 4.167 50 40 IIGB O=C(COc1ccccc1Cl)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 9263156 POAJVERODXVJAX-DHRITJCHSA-N 438.867 4.146 50 40 IIGB O=C(N/N=C1/C(O)=Nc2ccc(F)cc21)c1cn(-c2ccccc2)nc1-c1ccccc1 9666769 AEECAEQJDMBPJT-UHFFFAOYSA-N 425.423 4.414 50 40 IIGB CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OCC)cc2)cc1 12275539 SDUQAECVSDKVLN-HYBUGGRVSA-N 436.533 4.127 50 40 IIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(C)cc3)cc2)CC1 20240502 NALBLYNMFCKXFB-TURZUDJPSA-N 442.563 4.090 50 40 IIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)Cc3ccccc3)c3ccccc32)c1 408541204 FGCXTFGVBQUEQK-JVWAILMASA-N 425.488 4.169 50 40 IIGB CCOc1ccccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408648839 KIECBTIZHJYKJC-OXJNMPFZSA-N 447.890 4.001 50 40 IIGB O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccccc1 409193803 MQMACPXLUPQSSS-OEAKJJBVSA-N 444.476 4.295 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 716496 XRPSFZUBQWPRSH-HSZRJFAPSA-N 438.487 4.228 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2368616 YKWYDEKXCATPLR-MNTXUITRSA-N 432.332 4.166 50 40 IIGB CC(C)c1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 19948643 WQNYVRLPAYDJOW-UHFFFAOYSA-N 427.570 4.442 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(F)c3)nc3ccccc3c2=O)cc1 32577065 BEKOINOOAJBWNW-WGARJPEWSA-N 446.507 4.076 50 40 IIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2I)cc1 107820734 XPAQYVHXSBGZHO-LPYMAVHISA-N 443.288 4.463 50 40 IIGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccccc2F)cc1 409021968 BCCMCBIQTSQMJX-MBTHVWNTSA-N 429.451 4.482 50 40 IIGB Cc1ccccc1OCC(=O)N[C@@H](C(=O)N/N=C/c1cn(C(C)C)c2ccccc12)C(C)C 409169919 RTEBTJGQCABBTF-QBXUWSICSA-N 448.567 4.201 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 409263224 BEWZTIQXGUUJQO-IPPDYPEDSA-N 445.494 4.216 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)c1 409389992 BLGRCJJIZWKSCS-JFLMPSFJSA-N 427.460 4.449 50 40 IIGB N#C/C(C(N)=O)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1888552 SCWKVYRDPGOZJZ-BAACNHRGSA-N 436.295 4.044 50 40 IIGB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)CCCCl)CC2 2976803 BQTPDHYJCJZAMH-IBGZPJMESA-N 448.903 4.136 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCCc3ccccc3)cc2)cc1 3145009 LTRZFUSQQSRAGA-XIEYBQDHSA-N 436.533 4.236 50 40 IIGB COc1ccc(OCCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1 13897765 QFXVOTCQZJWXOB-NLRVBDNBSA-N 434.492 4.316 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@H]1c1cccs1 20348239 UFZZBAGNDIWPJE-SFHVURJKSA-N 440.546 4.051 50 40 IIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 28214083 AQSUFCZQDBOPOD-IPISDEMTSA-N 447.560 4.013 50 40 IIGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(OC)cc4OC)cc3C2)cc1 408733935 SIIQYVKPUVBJEQ-JFLMPSFJSA-N 445.519 4.387 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cc(Cl)ccc2C)cc1 408782875 KYLVMLHZAYEQBF-UHFFFAOYSA-N 433.961 4.198 50 40 IIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1cccc(I)c1 408858278 RJKZCCGEDCSTGH-STZFKDTASA-N 433.293 4.045 50 40 IIGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c2)cc1 408884631 XXJFPXGKVPUZPJ-CPNJWEJPSA-N 426.428 4.458 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)o1 108991250 XMJKCKRSQQYTQH-BOPFTXTBSA-N 432.432 4.420 50 40 IIGB Cc1cccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CCCC2)c1 408708978 VXZLOBJNCRRJIU-YDZHTSKRSA-N 443.345 4.010 50 40 IIGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 408806978 BSNHDXPQCJHZAF-FSJBWODESA-N 442.313 4.039 50 40 IIGB N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c(F)c1 408964175 BLXDKUCQENNCQA-UVHMKAGCSA-N 441.422 4.372 50 40 IIGB O=C(N/N=C/c1cccc(Br)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3113044 VZCHJPACYLHYCA-BUVRLJJBSA-N 446.308 4.461 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1 3248514 RXRIEGIXDSMZKY-FQEVSTJZSA-N 435.549 4.413 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccccc1 10118537 OTGFEQODBLJXLS-LPYMAVHISA-N 443.288 4.463 50 40 IIGB C[C@@H]1C[C@@H](C)CN(CC(=O)/C(C#N)=C2/NC(c3ccc(Br)cc3)=CS2)C1 25325981 OXDWMDNYHZQUIW-SBPGUAOHSA-N 432.387 4.366 50 40 IIGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1O 59109332 AMYOZPLUVIFILM-SDQBBNPISA-N 431.233 4.254 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 59152216 BZTBOAZTCFTYLX-DHRITJCHSA-N 438.867 4.390 50 40 IIGB Cc1ccccc1C1=NO[C@@H](C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)C1 1623772784 PXACMGFRMYPGOF-LJQANCHMSA-N 441.413 4.107 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 3031645 XXSVJHUYTVLLJD-WPWMEQJKSA-N 444.922 4.220 50 40 IIGB Cc1ccc(NCC(=O)N/N=C/c2c(C)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc1 8776737 GWSGCZXUODIHKH-WKULSOCRSA-N 442.494 4.488 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(C)cc1 33744784 NDYDYMACETYLBU-CVKSISIWSA-N 431.492 4.305 50 40 IIGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3cccs3)c3ccccc32)C1 102647518 PZMPNDUYIXCHDL-PMYGEFLDSA-N 436.581 4.087 50 40 IIGB CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408567496 NYCNMYCNNPUVNV-QPEQYQDCSA-N 444.260 4.471 50 40 IIGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 408862160 FWAZKAHJZFQFCF-SXGWCWSVSA-N 430.254 4.196 50 40 IIGB COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 408964083 BNLLMFPZRHROBK-DICXZTSXSA-N 428.492 4.180 50 40 IIGB CCOc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1ccc(Cl)cc1 8686349 LLHZNSULXRGYBM-MFKUBSTISA-N 429.948 4.254 50 40 IIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(Cl)cc(Cl)c1O 16525202 IIDDYHOTWJZDCQ-GATIEOLUSA-N 440.286 4.317 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 408794259 IQHPQSHIAQEBOI-HYARGMPZSA-N 437.455 4.470 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc3c(c2)OCO3)cc1 408808373 FYQNLSOZZQQVNN-BKUYFWCQSA-N 442.471 4.226 50 40 IIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(OC)c1O 408820267 WKTXDQHRRHUHNM-VZUCSPMQSA-N 437.677 4.371 50 40 IIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)cc1 408878732 AORUGQRBWSTKSD-HZHRSRAPSA-N 441.578 4.217 50 40 IIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 6141621 CRAMSENGMXUWMB-LPYMAVHISA-N 438.534 4.103 50 40 IIGB COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3ccc(C#N)cc3)sc2c1 9629577 CZTOWTMFIWUXAR-FSJBWODESA-N 447.432 4.359 50 40 IIGB Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 19954602 KYTIACNSJPMVHB-WGOQTCKBSA-N 445.544 4.218 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 107586830 KIHMWCZOKBLZHF-WSDLNYQXSA-N 426.270 4.431 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408813145 FLXXOCHLQXSBJS-XKZIYDEJSA-N 443.503 4.333 50 40 IIGB O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1O 408880656 GNROPOWNKMTSME-FMCGGJTJSA-N 425.828 4.297 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OS(=O)(=O)c1ccccc1 408890418 STXHYLXHWVFNRT-XMHGGMMESA-N 448.500 4.317 50 40 IIGB O=C1/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1c1ccc(F)cc1 2264090 MVOBAPJAZWVQBS-QGOAFFKASA-N 443.931 4.489 50 40 IIGB COc1cc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1 2657099 WRFOWXJWYUUDFV-WGOQTCKBSA-N 426.476 4.320 50 40 IIGB COc1cc2c(cc1OC)C1=C[C@@H](c3ccccc3Br)C(C#N)=C(N)N1CC2 9129921 HBJFVOYPJDSIJG-INIZCTEOSA-N 438.325 4.157 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 9972573 JGIDATSNBDHGMP-WQRHYEAKSA-N 445.431 4.434 50 40 IIGB Cn1c(SCC(=O)/C(C#N)=C2/Nc3cc(Cl)ccc3S2)nnc1C(F)(F)F 102818729 HVMPGKIBAPVMQG-WQLSENKSSA-N 431.852 4.101 50 40 IIGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408790085 NGVYQPAURNEDFT-NTEUORMPSA-N 431.286 4.498 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408848473 QRXPNMKOPRIAHJ-UKWGHVSLSA-N 443.459 4.345 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccc(C)cc1 409021146 YHTZUTYTKPYDFO-JFLMPSFJSA-N 449.482 4.314 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1 409336786 USGXYAQVOJTJIM-OAHLLOKOSA-N 427.913 4.059 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 2431850 YROBIWJEKSXCBI-QGZVFWFLSA-N 428.275 4.323 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCCO2 12362479 SMESUGFHZBOUIN-TURZUDJPSA-N 441.531 4.170 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)cn1 3083349 NPCZXJISFNRMRI-SRZZPIQSSA-N 431.233 4.019 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1Cl 13943917 BRRLQDBAKKZSEY-MVDPLZLPSA-N 426.900 4.130 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1Cl 409311124 FJMSDWTYVADWAC-CYBMUJFWSA-N 445.903 4.198 50 40 IIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCC(=O)O 408795000 KVMKJGDOHBNMPR-AWNIVKPZSA-N 449.688 4.420 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C(=O)O)cc1 408791012 ZYBJBPHVJKHXCP-XDHOZWIPSA-N 444.443 4.224 50 40 IIGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Br 409311227 YSCGLOKPVXVKHY-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1cccc(Br)c1 3150941 UHTPNBBTWULNGS-DNTJNYDQSA-N 445.542 4.427 50 40 IIGB CCc1ccc(OCC(=O)N/N=C/c2ccc(N(C)C3CCCCC3)c([N+](=O)[O-])c2)cc1 12413416 DWJXCIXZIQGOFD-PCLIKHOPSA-N 438.528 4.455 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC#N 16157365 CKGXZEPJEXMXMB-DHDCSXOGSA-N 426.270 4.214 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccco1 20348565 IJQGUAFWEVMHAA-QFIPXVFZSA-N 449.532 4.385 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1 40889283 KHWBJBSLIAXPTH-MFOYZWKCSA-N 429.314 4.468 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccccc1OCC 408603193 FBSZAXUHIMCXOZ-NRFANRHFSA-N 446.532 4.171 50 40 IIGB O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2)cc1 408675959 CTQCZVUAENWVPG-WPWMEQJKSA-N 443.503 4.328 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)c(C)c1 408676066 DLSCQDDFFFRVOG-WGOQTCKBSA-N 431.492 4.406 50 40 IIGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 408736355 BAJUUXRAPGFKLV-QQNPRBCQSA-N 431.511 4.249 50 40 IIGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 408809202 NLLRYAHZXJIKEB-CJLVFECKSA-N 427.460 4.440 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(=O)c1ccccc1 408900854 YCPHGYSYFBFVBC-CPNJWEJPSA-N 442.427 4.158 50 40 IIGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1 409318344 UXDRFSDZWYFCCE-MRXNPFEDSA-N 439.562 4.128 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1Br 409392539 QGHLHBLYWFESTQ-ZMOGYAJESA-N 425.330 4.231 50 40 IIGB Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)cc1 959079 CVUDNWWLAMQIGG-DHRITJCHSA-N 437.883 4.135 50 40 IIGB O=C(CNc1cccc2ccccc12)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 2329236 IOKCDTBTHRXQRJ-QVTSOHHYSA-N 448.526 4.362 50 40 IIGB CC(/C=C/c1ccccc1)=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 9216017 UVCAEWYMAYLSIH-PIAKAWIYSA-N 425.945 4.433 50 40 IIGB CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccccc1 30843471 KWDVRAHYUSHYTA-YUMHPJSZSA-N 446.503 4.450 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccccc1 59536064 CXVMGADGKPVVIV-XDJHFCHBSA-N 448.500 4.399 50 40 IIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc(Br)c1O 408727067 XBMVYPVEWWJMIO-KLLWNYQQSA-N 430.140 4.194 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 408793846 QISUPTMFGVHVGD-QGOAFFKASA-N 430.416 4.367 50 40 IIGB O=C(N/N=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1 33407024 JSOFLBMVEMWITQ-CIAFOILYSA-N 435.421 4.272 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccc(OC)cc2)ccc1OCc1ccccc1 58840017 JLVMDPJQXJNAED-WGOQTCKBSA-N 434.492 4.202 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408791911 FEQHQAWMKQYAHJ-MHWRWJLKSA-N 428.872 4.226 50 40 IIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Br 408805546 GNVQFZBBNCGGEV-RIYZIHGNSA-N 431.286 4.329 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC#N 408816186 REPJDQDVXDNCLF-MDWZMJQESA-N 430.233 4.045 50 40 IIGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1nnc2n1CCCCC2 585145708 IGDWHFFQBKWFCK-IZZDOVSWSA-N 438.123 4.299 50 40 IIGB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NNC(=O)c4ccc(OC)cc4)c23)CO1 2377222 IHDRZADZPNCTDY-NRFANRHFSA-N 444.582 4.420 50 40 IIGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)C2(CCCCC2)[C@H](C#N)C(=O)N1 8856852 RAHDJIAMNKJXHG-CQSZACIVSA-N 428.945 4.275 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)O)o1 9260177 KYTGAUWCGZIVEH-VULFUBBASA-N 444.443 4.483 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(N/N=C/c3ccc(N(C)C)cc3)c2)cc1 12649320 YOJISWLCPJMPLF-HEPXYTLMSA-N 428.540 4.029 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 59333234 UAHQCSZHPXSVGR-HKWRFOASSA-N 449.938 4.006 50 40 IIGB C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC 408583274 TUTGRMGEZQFDOH-MHWRWJLKSA-N 445.256 4.385 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC)cc2Cl)cc1 408791696 BATXCTFHIUGDTP-MHWRWJLKSA-N 428.872 4.470 50 40 IIGB C=CCOc1c(CC=C)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 409018828 WQWWFOAOYBUBSY-YUMHPJSZSA-N 431.492 4.066 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(I)cc3)cc2c1 409189025 HFOSYGIGHYSYJM-JAIQZWGSSA-N 434.233 4.200 50 40 IIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC=C)c(OC)c2)cc1OC 409303839 OPUNADWHJGXKGO-OYKKKHCWSA-N 430.888 4.251 50 40 IIGB Cc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 2755538 XIYWOMHAVDNOSV-YDZHTSKRSA-N 437.297 4.169 50 40 IIGB CCCNC(=O)NN(C(=O)NC1CCCCC1)c1nc(-c2ccc(OC)cc2)cs1 8754577 AHYBBSJAJZDQQH-UHFFFAOYSA-N 431.562 4.292 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)cc1 408709083 XBODNLZXJUEZLR-DHRITJCHSA-N 440.862 4.320 50 40 IIGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 408793593 PPHAGHIFTINXLJ-MHWRWJLKSA-N 443.297 4.245 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1 409326927 OVPNAJDUUYVWPR-HNNXBMFYSA-N 445.903 4.198 50 40 IIGB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)cc1 675122 HSJRCOJXOZXCKN-CVKSISIWSA-N 431.492 4.412 50 40 IIGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(OCC)ccc2nc1Cl 6631218 XNAMDKAYNIWBLI-IBGZPJMESA-N 425.872 4.098 50 40 IIGB BrC[C@@H](Br)[C@@H]1CC[C@@H](Br)[C@@H](Br)C1 8585921 PQRRSJBLKOPVJV-OOJXKGFFSA-N 427.800 4.472 50 40 IIGB in-vitro O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 12375993 WQVKGYZEUHJWFK-PKAZHMFMSA-N 440.455 4.031 50 40 IIGB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1 13800228 XQTVMHSFVRULEK-LTGZKZEYSA-N 442.519 4.092 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC)cc1 16440085 NVMKUBUVCIMDJA-XNTDXEJSSA-N 429.270 4.180 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 58651987 FMIRLTBDZVKBDJ-ZVBGSRNCSA-N 445.888 4.157 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(F)cc1 59334394 HJHBSKSASUIJAF-NVNXTCNLSA-N 433.277 4.171 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(I)c2)cc1 408743465 FZNWLNISOLMXOV-UVTDQMKNSA-N 448.260 4.244 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1cccs1 408831678 UXJXLXDEZQXQAL-PXLXIMEGSA-N 447.969 4.137 50 40 IIGB CCn1c(SCC(=O)N/N=C(\C)c2cccnc2)nnc1-c1ccc(C(C)(C)C)cc1 9019023 OJAWRPLPXXSGJU-PCLIKHOPSA-N 436.585 4.290 50 40 IIGB COc1ccc2c(Cl)c(C(=O)NNC(=O)COc3ccc(Cl)cc3)sc2c1 12040224 AISKSHWCWGOHEJ-UHFFFAOYSA-N 425.293 4.057 50 40 IIGB CCOC(=O)[C@H]1S/C(=C(/C#N)c2ccccn2)N[C@]1(c1ccc(C)cc1)C(F)(F)F 12543538 VAWJEEKEVPFSRV-RACUNIQYSA-N 433.455 4.308 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(C)c2C)c(C(=O)OCC)c1C 33776229 WRLMFJBEBWWMLA-LICLKQGHSA-N 442.537 4.084 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)o2)c(C)c1 107797455 VQFYVPILKBBAOS-ATVHPVEESA-N 430.416 4.286 50 40 IIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)cc1C 408707881 MJROFOSHUQFVBJ-VULFUBBASA-N 444.491 4.142 50 40 IIGB Cc1ccccc1Nc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CCCC1 408708849 UOXJDHRPERLKNG-YDZHTSKRSA-N 443.345 4.010 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 408789433 JDYGCNWLFYWAPI-HAVVHWLPSA-N 439.515 4.278 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1F 10131384 SVAVPGKQFXURJZ-QGOAFFKASA-N 445.450 4.397 50 40 IIGB Cc1nc(CSc2ccc(C(=O)NNC(=O)COc3c(C)cccc3C)cc2)cs1 12762510 PHZKYNHWDFVQHC-UHFFFAOYSA-N 441.578 4.201 50 40 IIGB Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@]2(C(=O)Nc3ccccc32)C2=C1CCCC2=O 13567730 MVKLFIXWRWOSCJ-DEOSSOPVSA-N 430.895 4.060 50 40 IIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 16178463 OFPPGZZGSALWOL-UHFFFAOYSA-N 432.524 4.022 50 40 IIGB C=CCN(c1ccc(C(=O)N/N=C/c2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 19937017 DCCJKNUVZHFZER-XIEYBQDHSA-N 433.533 4.140 50 40 IIGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1cc2ccccc2o1 83329045 DNKUZWJETTWCKD-UWVJOHFNSA-N 438.075 4.427 50 40 IIGB O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1c1ccc2ccccc2c1)[C@@H](Br)[C@@H]3Br 169615964 WKKXVOBOSZBQMM-NWHWRWDZSA-N 449.142 4.122 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1O 408778058 PNFLUWCQJVKUIQ-AUWJEWJLSA-N 448.260 4.168 50 40 IIGB C=CCc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc(OCC)c1O 408843222 CSHITOKWHILAEF-UUYOSTAYSA-N 427.551 4.372 50 40 IIGB Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C(/C#N)c1nc2ccccc2[nH]1 409000932 NZJINURYFSMMDM-ZROIWOOFSA-N 429.396 4.246 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OC 409229387 OJRCUILWNKYYAS-GZTJUZNOSA-N 429.314 4.122 50 40 IIGB COc1cccc(/C=N/NC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1O 1501578 ZJHJDZYZZIXJMB-DHRITJCHSA-N 445.302 4.094 50 40 IIGB O=C(Nc1ccc2c(c1)[nH]c(=O)c1cc(NC(=O)C(Cl)Cl)ccc12)C(Cl)Cl 1723759 RDYRLNZRVYEFAK-UHFFFAOYSA-N 447.105 4.166 50 40 IIGB N#CC1=C(N)n2c(nc3ccccc32)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 9716419 MQDNTWMWNMMKSR-VXKWHMMOSA-N 435.443 4.359 50 40 IIGB O=C(N/N=C/c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1)NC1CCCCC1 9730528 XGIDZNXBQQIDJS-XQNSMLJCSA-N 426.473 4.018 50 40 IIGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 12042984 YGYWIFWIKTWLKV-FQEVSTJZSA-N 448.460 4.163 50 40 IIGB O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 13154687 AROOAZVHDKORCX-QWIYPAAXSA-N 442.302 4.233 50 40 IIGB CCOc1ccc(/C=N\NC(=O)COc2c(C)cc(Br)cc2C)cc1OC 30760618 DVFVLQPIUIBTBA-JJFYIABZSA-N 435.318 4.002 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1 59960209 FBFYAOWCZOGAGQ-LGJNPRDNSA-N 428.414 4.202 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 408962687 JGFLYNYFZJUUOQ-KTZMUZOWSA-N 449.212 4.328 50 40 IIGB O=C(N/N=C/c1cccs1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408974034 VJIDNXJPYAGVSP-GVFUYMABSA-N 435.574 4.329 50 40 IIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC)cc1OC 409321647 IXKDVICIXNZJDT-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc21 409354630 AMGKNDKZEKEZMQ-IPPBACCNSA-N 425.467 4.263 50 40 IIGB C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccccc1 654731 IDBPFURZJYSCTB-WLXKGNRNSA-N 434.569 4.097 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(NC(C)=O)cc2)sc2c1CCCC2 947909 DRDIBIAPBHRGGW-FOWTUZBSSA-N 437.521 4.308 50 40 IIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1ccc2c(c1)OCO2 985576 OLSFFIBEKCLNFA-MRXNPFEDSA-N 427.247 4.330 50 40 IIGB CC[C@H](Nc1ccc(I)cc1C)C(=O)N/N=C(\C)c1ccccc1 15931060 RXNJYUUTYYVGTR-NIZGNDASSA-N 435.309 4.331 50 40 IIGB N#CC(C#N)=C(NC1CCCCC1)[C@]1(C#N)[C@@H](c2cccc(Br)c2)C1(C#N)C#N 78547394 NGYMERRUOQOCII-UGKGYDQZSA-N 445.324 4.313 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(I)c2)c1 408742862 TUZPTXIZSRTSPI-NTEUORMPSA-N 448.260 4.244 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(Cl)c2)cc1 408796203 XKCFZZGQWRPMHS-RIYZIHGNSA-N 430.247 4.228 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1Cl 408995562 BAGLIMFHENBZLP-SSDVNMTOSA-N 427.800 4.059 50 40 IIGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccco1 409038065 ZLADIPSSPCBRDZ-JXMROGBWSA-N 445.258 4.280 50 40 IIGB C[C@@H](Br)[C@@H](OC(=O)c1ccco1)c1cc2c(cc1Br)OCO2 1628440 PHSNVJRXZFHDSP-XLKFXECMSA-N 432.064 4.452 50 40 IIGB CCCNC(=O)N(NC(=O)Nc1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 3768110 RDVOFPUTHBXKEF-UHFFFAOYSA-N 425.514 4.481 50 40 IIGB Cn1c(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)nc2ccccc21 9631072 RETYEABREFEJEB-WPWMEQJKSA-N 434.503 4.119 50 40 IIGB C[C@@H](/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccccc1 9720534 WGMKEMPDNQNRNI-LCCPSIKOSA-N 440.547 4.429 50 40 IIGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 26687142 MXZLTOJEDLZTDA-SILNSSARSA-N 430.508 4.209 50 40 IIGB Cn1cccc1/C=N/NC(=O)c1cc2cc(Br)cc(Br)c2o1 209532801 QINAKAGTXILWKV-QGMBQPNBSA-N 425.080 4.060 50 40 IIGB O=C(N/N=C/c1cc(Br)ccc1Nc1ccccc1)C(=O)Nc1ccccc1 408708594 QZKLTJLTQFLJGO-OEAKJJBVSA-N 437.297 4.282 50 40 IIGB CCc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2Nc2ccccc2C)cc1 408709162 YGHFYKCXGOHOOI-OGLMXYFKSA-N 444.535 4.076 50 40 IIGB COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 408784054 QWPPSLGIIKESIN-ZROIWOOFSA-N 430.302 4.078 50 40 IIGB COc1ccc(Cl)cc1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 408981164 UZLHMCMQCQYADH-QZLJHNFXSA-N 435.911 4.360 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1ccccc1Cl 409234350 ZMVNNBYJIQWBFS-WQRHYEAKSA-N 439.899 4.148 50 40 IIGB NC(=O)N/N=C/c1ccc2c(c1)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=O 4265558 CYBSBTNKSRIPRV-LKNXVUQUSA-N 431.062 4.078 50 40 IIGB CCCOc1ccc([C@@H]2[C@H]3CN(CCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 8441892 XUODHVFVEHTAMS-XUZZJYLKSA-N 445.567 4.009 50 40 IIGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1 38683188 IDPSJKINOCATEZ-HSZRJFAPSA-N 440.455 4.219 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1 58912985 ZUOCBYMQGKPXCH-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccs1 59372427 XVIFAQIOXIAPSF-PTGBLXJZSA-N 441.578 4.101 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 108130025 MWUOGODWEZSSAA-FOKLQQMPSA-N 425.828 4.021 50 40 IIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1C 408692207 HAQKHXWFQUJDNT-LGJNPRDNSA-N 438.915 4.096 50 40 IIGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408745142 KCXMIHFSDHETOB-JYRVWZFOSA-N 449.688 4.200 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1cccc(C(=O)O)c1 408826651 IKKJDPSSSYFGHZ-UDWIEESQSA-N 434.492 4.328 50 40 IIGB COc1ccccc1C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409014929 QIKJFWWYANOQHN-CVKSISIWSA-N 431.492 4.093 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 9308620 WVFJDIQEIUESHZ-FQEVSTJZSA-N 432.480 4.101 50 40 IIGB Cc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926170 GLZYPWILWUQJIX-UHFFFAOYSA-N 433.961 4.280 50 40 IIGB Cc1ccccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408660805 WXWHBDFODHWIAR-APWZRJJASA-N 434.319 4.425 50 40 IIGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCC)c(OC)c4)c32)cc1 9328841 FJJMUWONHYEINM-NRFANRHFSA-N 446.507 4.491 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19949326 STYHFJLVYKHREY-YYADALCUSA-N 449.576 4.348 50 40 IIGB Cc1sc2ncn(CC(=O)N/N=C\c3cccc(Cl)c3)c(=O)c2c1-c1ccccc1 31783340 IEBVPYWBXMQRIV-GATIEOLUSA-N 436.924 4.237 50 40 IIGB O=C(COc1ccccc1/C=N\NC(=O)c1cc2ccccc2o1)Nc1ccc(F)cc1 408948908 RRQKCOACKBUAPY-WGARJPEWSA-N 431.423 4.353 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c([N+](=O)[O-])cc1OCc1ccccc1 408980359 VUPJLOKLEAOIRD-VXLYETTFSA-N 432.436 4.243 50 40 IIGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OC 409365140 QASMEYVHXZDDJV-NSIKDUERSA-N 449.244 4.491 50 40 IIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 1319742 FAXCHUQFEOYIGF-LKYUAURQSA-N 433.302 4.220 50 40 IIGB CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 9510901 UVQNBKQIOHCCGZ-DQRAZIAOSA-N 428.536 4.325 50 40 IIGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 9580984 AWCTWJCAVPSPPQ-ZMOGYAJESA-N 430.489 4.317 50 40 IIGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1Cl 408707227 IBGUZAIASXBAET-OPEKNORGSA-N 445.306 4.405 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3OC)cc2OC)cc1 408893635 GIHYBNXXOSFEIQ-CVKSISIWSA-N 448.475 4.004 50 40 IIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c(C)c1 9344809 RENUTUXPDNCGHK-XDJHFCHBSA-N 428.492 4.023 50 40 IIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(=O)O)c1 15277101 ZHVYEIIHHXMFML-OQLLNIDSSA-N 427.254 4.258 50 40 IIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 408526410 BWBZIPJJSVNQNW-CCVNUDIWSA-N 425.410 4.433 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408789527 JVKZCYPHDDSAGM-RIYZIHGNSA-N 449.290 4.490 50 40 IIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 408987678 BNQZGTHHLJQXBZ-LPYMAVHISA-N 432.933 4.481 50 40 IIGB O=C(NNC(=O)c1ccc(COc2ccccc2Cl)o1)NC12CC3CC(CC(C3)C1)C2 8454242 LXZIOGMXMOEKBK-UHFFFAOYSA-N 443.931 4.425 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)cc1 8951872 GJZWNTIYRKQEFW-DHRITJCHSA-N 426.831 4.471 50 40 IIGB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12 9281418 UWCPMGXQZNUBJV-ZLNRFVROSA-N 436.511 4.481 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)o1 9489290 YZPVMDHICDYOQI-FOKLQQMPSA-N 428.832 4.079 50 40 IIGB COc1c(C(=O)NNC(=O)CSc2ccc(Cl)cc2)sc(C)c1Br 78932150 VGBGDCHIYDYSOU-UHFFFAOYSA-N 449.779 4.034 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)c1C 408904272 HJKAKGLYOGZWCD-MSXFZWOLSA-N 447.403 4.460 50 40 IIGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1 409112556 DXHPMHKKYNYTQJ-ZMOGYAJESA-N 427.888 4.468 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)sc2c1CC[C@H](C)C2 2708540 ODCAXWGDNMMNMB-LERPTODRSA-N 440.521 4.309 50 40 IIGB N#CC(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)=C1Nc2ccccc2N1 3294172 UZVZFAYIWWTCPW-UHFFFAOYSA-N 440.488 4.461 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Cl)c1OCc1ccccc1C#N 6300198 YZRRTAGGFLUPAE-HXUWFJFHSA-N 447.882 4.049 50 40 IIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)c(Cl)c1 12276869 JLZMOSRGIZBUBQ-CQSZACIVSA-N 429.904 4.498 50 40 IIGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)o2)c([N+](=O)[O-])c1 2773862 NVGZENXVUCKQAD-GXDHUFHOSA-N 433.376 4.107 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1ccc(Cl)cc1 33697173 HDQIWPQFHJWPLA-WGOQTCKBSA-N 439.899 4.355 50 40 IIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408743590 BHTHPAVIIDTPOY-GDNBJRDFSA-N 441.281 4.024 50 40 IIGB Cn1nc(C(=O)NNC(=O)Nc2cccc([C@@H]3CCCC(C)(C)C3)c2)c2ccccc2c1=O 1563371923 LMKCQGAWTVACLJ-QGZVFWFLSA-N 447.539 4.084 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc2ncccc2c1 8450462 WLCZJTOXSLFNMM-NTFVMDSBSA-N 441.535 4.237 50 40 IIGB Cc1ccc(NNC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)NNc3ccc(C)cc3)C2)cc1 16293218 PBUYEQGMRZCTAE-WOJBJXKFSA-N 438.576 4.062 50 40 IIGB Cc1ccccc1C(=O)NNC(=O)c1ccc(COc2cccc(Br)c2)o1 40144672 GRBRCSVZEXBIKR-UHFFFAOYSA-N 429.270 4.004 50 40 IIGB COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c1 409259889 HETDNDDLXJHNLZ-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1426553 KRVVRNHSMBDGLY-IBGZPJMESA-N 439.288 4.288 50 40 IIGB N#C/C(=C\c1ccc(N2Cc3ccccc3C2)cc1)C(=O)N1CCN(c2ccccc2)CC1 9010560 BFSXJMDVRVWPRX-XIEYBQDHSA-N 434.543 4.463 50 40 IIGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 12362470 YOZVOILYTMBXPI-YSURURNPSA-N 442.781 4.402 50 40 IIGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br 13899299 UJBLDZQLUKNDII-JEZPSQJFSA-N 444.285 4.498 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccccc1 20926888 YZVSHISHMXZPMJ-ZMOGYAJESA-N 440.297 4.196 50 40 IIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCN(c2ccccc2)CC1 21315677 LRGXGQBIADSBCR-KNTRCKAVSA-N 428.448 4.111 50 40 IIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OC 57666331 RWSTXHILRZLYOI-SRZZPIQSSA-N 425.710 4.203 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 408788315 CECJZVHGKQCWKG-RQZCQDPDSA-N 442.899 4.453 50 40 IIGB CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 408961255 LUTIIBGTENXJSB-KEBDBYFISA-N 432.230 4.266 50 40 IIGB CCn1c(C)cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1C 409067759 PSZSUPUTZWWCAM-UFWORHAWSA-N 443.139 4.119 50 40 IIGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 409211651 NMVHGPADQWPPRW-DHDCSXOGSA-N 431.242 4.363 50 40 IIGB CCC(=O)NNc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 872859 BRJPYPWAJSIUIG-UHFFFAOYSA-N 428.536 4.180 50 40 IIGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)c1 12275069 QVHSREMGVUXIBH-LAUBAEHRSA-N 446.450 4.357 50 40 IIGB CN1/C(=C(/C#N)C(=O)COC(=O)CSc2nc3ccccc3o2)Sc2ccccc21 13098237 VZQMPGYLMTZRML-DEDYPNTBSA-N 437.502 4.009 50 40 IIGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1ccc(O)cc1 34690665 XYEKPDDJUQFEAM-SFQUDFHCSA-N 431.423 4.094 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)OC)cc1 408795800 MPVJEHRDCYWKOZ-MHWRWJLKSA-N 443.297 4.109 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC#N)cc2Br)cc1 408799195 YHRJQXXYZKSUAL-MHWRWJLKSA-N 440.297 4.468 50 40 IIGB C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC 409122712 AZIFHVFDDWTWEQ-LJQANCHMSA-N 443.297 4.336 50 40 IIGB CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 409186391 BMLZYEZBGZXVHT-DJKKODMXSA-N 426.108 4.261 50 40 IIGB COc1ccc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)c1 2439005 IUMQINJGNFZQSF-KRWDZBQOSA-N 425.485 4.062 50 40 IIGB O=C1c2ccccc2C(=O)c2c1ccc(C(Br)Br)c2[N+](=O)[O-] 4265564 BXZDZTNIJGLMJO-UHFFFAOYSA-N 425.032 4.159 50 40 IIGB biogenic CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccc(C)cc1 9500518 SJXJEGPDRMFHBL-ACXJOVJBSA-N 425.941 4.129 50 40 IIGB Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12 9730561 OTGHPYQAQLGSGA-FOKLQQMPSA-N 427.298 4.323 50 40 IIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccs2)C2CCCCC2)c(C)c1 34702745 YZMBBVZWQASOJU-UCQKPKSFSA-N 447.626 4.147 50 40 IIGB CCCc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1472127 WVLAIXDKGLRYNE-JOCHJYFZSA-N 430.508 4.476 50 40 IIGB C[C@@H](OC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)NNC(=O)c1ccccc1 9255652 HHQPANLQNHUHKE-SNVBAGLBSA-N 437.304 4.215 50 40 IIGB COc1c(Br)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 9805447 AGZRLKURHSYUDH-MRXNPFEDSA-N 435.661 4.058 50 40 IIGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cc(Cl)ccc2Cl)c1 12560678 KWXWGUZGHQXPQS-LPYMAVHISA-N 442.368 4.178 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1ccc(O)cc1 35314643 HPNVZRRXUZHTNO-GHRIWEEISA-N 431.423 4.094 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 38534927 UKOQZILWQGXXSE-MFKUBSTISA-N 444.516 4.065 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Br)cc1 59333718 UZZIRTUURSSSPD-BOPFTXTBSA-N 429.314 4.422 50 40 IIGB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1 103030627 PBZHQHLMFSWRGK-UHFFFAOYSA-N 438.461 4.195 50 40 IIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1cccc2ccccc12 408878601 AXPBGZRGMFYBLJ-KOEQRZSOSA-N 430.485 4.371 50 40 IIGB COc1ccc(Br)cc1/C=N/NC(=O)CSCc1ccccc1Cl 3084737 NHGQKNFLCAOWMM-AWQFTUOYSA-N 427.751 4.495 50 40 IIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)/C=C/C(=O)O)c1 19634919 VPIDFKZDDBVXCU-OQPUADJBSA-N 441.896 4.288 50 40 IIGB Cc1noc(CSc2ccccc2C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 25236424 OSVGVFXMSMSMNJ-UHFFFAOYSA-N 440.569 4.038 50 40 IIGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1 59379217 YFRRZFZHSYESDZ-CIRUFVMISA-N 435.911 4.247 50 40 IIGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 409318824 ZWOVIEYRIQNBNM-HNNXBMFYSA-N 427.913 4.059 50 40 IIGB Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 8781157 WBHVKHCRYOBHMD-FOKLQQMPSA-N 437.843 4.317 50 40 IIGB O=C(CSc1ncnc2scc(-c3ccccc3)c12)NNC(=O)c1ccc(F)cc1 9449338 ICLXQTCBPKYTMK-UHFFFAOYSA-N 438.509 4.051 50 40 IIGB O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1 9668336 PJWOZOZZAAYGLT-XVBMEUPUSA-N 439.265 4.425 50 40 IIGB NC(=S)N/N=C1\c2cc(Cl)ccc2-c2c(NC(=O)C(Cl)Cl)cc(Cl)cc21 22246668 FHDOVIVGTXHLOM-YDZHTSKRSA-N 448.162 4.302 50 40 IIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1 408707650 LJSPULMDZJNSHP-AFUMVMLFSA-N 436.899 4.489 50 40 IIGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 408708591 QXZOQUPQZDYKKS-JVWAILMASA-N 434.927 4.201 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408956435 WTAUDJVLJDIZGO-WQRHYEAKSA-N 433.895 4.108 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 409371126 GHPVATHSPDOXIM-SRZZPIQSSA-N 434.536 4.346 50 40 IIGB O=C(NN(C(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1)c1ccccc1 865473 SENGXIUOJQXIGC-UHFFFAOYSA-N 440.253 4.349 50 40 IIGB Cc1sc(/C=N/NC(=O)COc2ccccc2Br)cc1Br 1085526 ITCUVWGAPSIQGI-REZTVBANSA-N 432.137 4.111 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 2312117 UYXLZFYCFMBWSO-WSDLNYQXSA-N 427.254 4.100 50 40 IIGB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1 3098832 UUMBZDXOCOGOKZ-KOEQRZSOSA-N 427.533 4.101 50 40 IIGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)ccc21 3369752 FAFMFGCPKXTGFO-UHFFFAOYSA-N 449.338 4.292 50 40 IIGB N#C/C(=C\c1cccc(OC(=O)C2CCCCC2)c1)C(=O)NCc1ccc2c(c1)OCO2 17097923 LSYNQVUETIQVRV-RGVLZGJSSA-N 432.476 4.124 50 40 IIGB COc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccccc1 20214287 RRFPCZJATXKAJJ-UHFFFAOYSA-N 443.569 4.107 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 58913459 FHPWVDHHUGFRAN-CVKSISIWSA-N 432.524 4.198 50 40 IIGB C[C@H](C(=O)N/N=C/c1c2ccccc2cc2ccccc12)N(c1ccccc1)S(C)(=O)=O 408908142 UGJVMAJDIPLRKD-WNIQNGNASA-N 445.544 4.298 50 40 IIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Br)c1 408930927 DZLPUWRXNFQOQG-PTNGSMBKSA-N 436.265 4.484 50 40 IIGB CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OC 408981252 VOBKCRYSNMDQDA-RHOWTMNOSA-N 445.519 4.105 50 40 IIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1cccs1 1477821 ZLTSMFFIOWWQAR-PCLIKHOPSA-N 448.573 4.388 50 40 IIGB CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)ccc1O 2440478 LBTRECHFBNIXBV-KRWDZBQOSA-N 425.485 4.149 50 40 IIGB C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc(I)cc1 59473762 JFNUDGVQHJNQKF-XSFVSMFZSA-N 438.334 4.373 50 40 IIGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(F)c(Cl)c1 108924768 WTVCXWDYRFDTPV-MSXFZWOLSA-N 428.851 4.488 50 40 IIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 408771710 BKHBDGGNCKORAM-QFEZKATASA-N 434.496 4.402 50 40 IIGB COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc(Br)c1OC 409148556 ZIKFKQMTYCIALR-CIAFOILYSA-N 437.359 4.407 50 40 IIGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 8915967 NKKXUCMJFDUDIC-UHFFFAOYSA-N 449.938 4.347 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)o2)cc1 13339658 JDXFUTRIDZXOGR-QGOAFFKASA-N 430.416 4.367 50 40 IIGB N#C/C(=C/Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Cl)cc1 14008054 DQPYHLBJYWGSJY-SSZFMOIBSA-N 448.887 4.366 50 40 IIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(I)cc1 32253941 VHOZTBZAVYYADS-INIZCTEOSA-N 425.229 4.058 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1 408741586 JWAXWLRMHXGZBE-DHRITJCHSA-N 439.899 4.063 50 40 IIGB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 409198662 JGRSEYOSTSODLG-DYGKOUCMSA-N 446.576 4.327 50 40 IIGB C/C(=N\NC(=O)CNc1ccc(I)cc1)c1cccc2ccccc12 409251151 OPZGBXCJXNUEGN-OEAKJJBVSA-N 443.288 4.397 50 40 IIGB CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)cc2)c(OC)c1 2887421 LXVKOWBOEVYHSC-DUNXJPOSSA-N 434.492 4.146 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccccc1 9295826 BRNGQTIOGWSQOH-ZMOGYAJESA-N 440.297 4.196 50 40 IIGB C/C(=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc(Br)cc1 12446038 SAJHKUOTVGGASG-KQWNVCNZSA-N 425.330 4.465 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2Cl)[C@@H]2CN(Cc3ccccc3)CC=C12 13512023 QOSBPNWWJOUHSK-FYYLOGMGSA-N 425.923 4.266 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1cccc(Cl)c1Cl 58912559 OTBOKNYVOYTFJN-ZMOGYAJESA-N 435.355 4.254 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(C(=O)O)cc1 59334895 QJIZILDAADOONC-BKUYFWCQSA-N 434.492 4.086 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C 408585486 FTMIERQGYFWSND-FSJBWODESA-N 426.860 4.428 50 40 IIGB O=C(N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1)C(=O)Nc1nccs1 408708465 QLCZRZWXPCMBNJ-LSHDLFTRSA-N 434.308 4.282 50 40 IIGB Cc1ccc(Nc2cc3c([nH][n+](=O)n3CCCCl)c3c2C(=O)c2ccccc2C3=O)cc1 408710398 URYCHWYZOUAEPU-UHFFFAOYSA-O 447.902 4.340 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)c(O)c1 408719650 IYXRJHNNXMTFSE-SRZZPIQSSA-N 435.343 4.103 50 40 IIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 408907008 KYRXRFVWVNDNIH-MORQCWLFSA-N 445.519 4.073 50 40 IIGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)NCCCc1ccccc1 409229161 KOUUJAOAVRSJMC-SXGWCWSVSA-N 433.291 4.113 50 40 IIGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc2ccccc2c1 100501182 WKKXVOBOSZBQMM-JQVOGXOBSA-N 449.142 4.122 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408776203 NHURLRDYDKJWFX-PXNMLYILSA-N 429.860 4.267 50 40 IIGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCOC)c2C)cc1 408861958 VUXQXVQGIRYWDN-CJLVFECKSA-N 437.540 4.111 50 40 IIGB O=C(CSCc1cccc(Br)c1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408877054 PAFAAZNKMCVUTQ-UFWORHAWSA-N 442.722 4.394 50 40 IIGB N#C/C(=C/c1ccccc1)C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 3305299 RYSVHLQSLSZJAA-ZHZULCJRSA-N 431.879 4.287 50 40 IIGB Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc(C)c1Cl 30937465 KOMSYZHFIPONLP-WYMPLXKRSA-N 426.856 4.298 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)cc1C 58911782 ACTNOWCVNDHXHQ-MZJWZYIUSA-N 436.943 4.131 50 40 IIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)c(C)c1 408707351 JHHMDLKCRRRYAJ-VULFUBBASA-N 444.491 4.142 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c(OC)c2)cc1 408727099 YJSULBGPJYICOK-ZSOIEALJSA-N 448.260 4.113 50 40 IIGB Cc1cc(C)cc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)c1 408859871 UPKSRWDICYNNJZ-UHFFFAOYSA-N 427.570 4.325 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cccn1-c1cccc(C(=O)O)c1 409111874 CUQWDHYAQALFFI-KSEXSDGBSA-N 432.263 4.011 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2C)c(OC)c1 27563635 JWWRWOFEJYJEJB-RCCKNPSSSA-N 448.519 4.286 50 40 IIGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408606126 OLBQMOPMNCSAJX-INIZCTEOSA-N 447.358 4.094 50 40 IIGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)c1 408873545 VTQPUOFKVQCLFA-MZJWZYIUSA-N 436.943 4.131 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409025853 YMZPCUKKXAFPRS-PCLIKHOPSA-N 435.549 4.034 50 40 IIGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1 409321265 FGBOKHRDEXHDJO-IBGZPJMESA-N 437.590 4.105 50 40 IIGB COC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)=C(C(SC)SC)[C@@]1(O)c1ccccc1 13398499 GDWNVIPWNAMZDP-RFWXGWTQSA-N 425.575 4.333 50 40 IIGB biogenic CCOC(=O)/C(C#N)=C1/SC=C(c2ccccc2)C(C#N)=C(N)N1c1ccc(OC)cc1 16681996 IHWKGSFMNWTLJY-BSYVCWPDSA-N 444.516 4.282 50 40 IIGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1cccc(C#N)c1 20195136 RKQFVHZWCUMSLU-LQKURTRISA-N 427.504 4.456 50 40 IIGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21 20760380 HOGNXFHYNKEHKC-FSJBWODESA-N 442.313 4.039 50 40 IIGB COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1OC 33697045 IHERGFGOTQGVHK-BCUAHEQISA-N 430.508 4.495 50 40 IIGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2C1 12986615 XICQZYCEMHKDBR-GFCCVEGCSA-N 448.470 4.152 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCCC(C)C 14162550 AJIZGHTYUOBCPK-OAQYLSRUSA-N 432.476 4.445 50 40 IIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1 408804913 CGJXAEOBIRMQOI-XNTDXEJSSA-N 426.270 4.214 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1Cl 409007164 UIWKGYSRFINETB-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB CCOc1cc(C(=O)N/N=C(\C)c2ccc(C)c([N+](=O)[O-])c2)cc(OCC)c1OCC 12311453 ZGJHOSOZXOTOAT-HZHRSRAPSA-N 429.473 4.253 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 19926267 IRODGUBXBKPVNT-JJIBRWJFSA-N 441.940 4.076 50 40 IIGB O=C(N/N=C/c1ccccc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247188 FNQVZRYONWCIFA-DXPRYJPLSA-N 433.508 4.364 50 40 IIGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1c(OC)ccc2ccccc12 408608862 XBEWDPMNTOUACB-NRFANRHFSA-N 447.564 4.102 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCC#N 408743193 FDYXPWILQCKPTR-PTNGSMBKSA-N 426.270 4.296 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC#N 408762863 LMTALRRZIQQXEP-GDNBJRDFSA-N 426.270 4.296 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 408814946 SPQOYQKQVGMYHQ-LZNAANCOSA-N 439.309 4.254 50 40 IIGB N#C/C(=C\c1c(Cl)cccc1Cl)c1nnc(N2CCOCC2)n1-c1ccccc1 12597771 RJPZLFHWKQUOPW-FYWRMAATSA-N 426.307 4.475 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1 107946096 OFCFUPDEDQIWMT-FOKLQQMPSA-N 425.828 4.021 50 40 IIGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc2ncccc2c1 108243205 NCEWCBWKCREMRC-YSMPRRRNSA-N 427.464 4.243 50 40 IIGB COc1ccc(C)cc1-n1c(C)cc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1C 223154038 PRHLGNGRFNDZBO-WGARJPEWSA-N 432.524 4.117 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC)c(C#N)c1C 408545985 BHAMNWHHOYINOX-VGOFMYFVSA-N 428.897 4.486 50 40 IIGB CC(=O)Oc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br 408752240 CKNJBPWMZHBJEP-AUEPDCJTSA-N 443.219 4.086 50 40 IIGB Cc1c(Br)cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1Br 409360059 OOFSHWLGEUXZBP-ODCIPOBUSA-N 443.114 4.221 50 40 IIGB O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1cccc(C(F)(F)F)c1 14074893 WFYANQZHQCPAHT-UHFFFAOYSA-N 444.409 4.238 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)[C@H](O)c1ccccc1 14134661 SLRKHNIODVFUMR-JHXRPTDYSA-N 439.309 4.212 50 40 IIGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4ccc(Cl)cc4)c(=O)c23)cc1 31783601 FWLQMLAKLRBVMN-MRUKODCESA-N 436.924 4.237 50 40 IIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 58912745 CLJJKZVGODJUTI-CVKSISIWSA-N 432.524 4.198 50 40 IIGB C=CCn1c(SCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)nc2ccccc2c1=O 102400691 XQTAMYDUIQQESY-JWGURIENSA-N 446.557 4.221 50 40 IIGB N#C/C(=C\c1cc(Br)cc(Br)c1O)S(=O)(=O)c1ccccc1 948080 GCIQKOUXPZWYEY-NTUHNPAUSA-N 443.116 4.256 50 40 IIGB COc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 2300764 FXRUPKXGELTYSJ-SRZZPIQSSA-N 444.607 4.390 50 40 IIGB O=C(CCc1ncc(-c2ccccc2F)o1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 12850323 LTCDVDJPGBCWEY-UHFFFAOYSA-N 425.504 4.167 50 40 IIGB CCOc1cccc(-c2cc(C(=O)NN=C3CCN(C(C)=O)CC3)c3ccccc3n2)c1 17096957 XKFKMZPKUJFLFK-UHFFFAOYSA-N 430.508 4.029 50 40 IIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 58913748 APMNWNPLKMDCGW-AFUMVMLFSA-N 438.915 4.235 50 40 IIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 59333182 XBFJZXDYHUOVPE-HKWRFOASSA-N 441.487 4.209 50 40 IIGB Cc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 409183545 CXGGMMZZTXCXNQ-UHFFFAOYSA-N 427.570 4.325 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2274655 BKJYSDPWRMXMMS-PCLIKHOPSA-N 425.448 4.140 50 40 IIGB Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)ccc1Cl 32581108 XXZFELCZQOSEMT-FSJBWODESA-N 428.897 4.458 50 40 IIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1 408790488 WMSYFIASRXWLIT-NBVRZTHBSA-N 445.450 4.397 50 40 IIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 409366879 ZWOOGTMQHNFLSE-LQKURTRISA-N 439.515 4.462 50 40 IIGB COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 855761 IBFXEJOASOHSHA-FOKLQQMPSA-N 428.832 4.079 50 40 IIGB O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1 10059327 GIYYMPAOFVBAMZ-LQXWQKHGSA-N 439.265 4.425 50 40 IIGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408790304 VMPPBUCNQFSOIC-CXUHLZMHSA-N 443.297 4.163 50 40 IIGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc2c(cc1Cl)OCO2 408978299 HWOZXLRONFNGBB-MOYYISEASA-N 449.894 4.080 50 40 IIGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 409221840 AZNDNSSSNWITID-PXLXIMEGSA-N 425.488 4.236 50 40 IIGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc(Br)ccc1OC 409229563 RCKZPZKVAVCTAN-OEAKJJBVSA-N 446.345 4.221 50 40 IIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409364798 PKBFDWHWYVWXIQ-DHRITJCHSA-N 438.871 4.389 50 40 IIGB COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2)cc1 979638 AMNIXWSCPPLBBB-OVVQPSECSA-N 439.471 4.469 50 40 IIGB CCOc1cccc(/C=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1O 3262617 XIVDHDKMVAPJLP-ZMOGYAJESA-N 436.537 4.254 50 40 IIGB COc1cc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)ccc1OCCC(C)C 3297901 PAWLXIJIYZGUEE-UHFFFAOYSA-N 435.480 4.119 50 40 IIGB COc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1OCc1c(F)cccc1Cl 19642225 NIYLOZAKMITVRG-RNIVLKNTSA-N 444.890 4.269 50 40 IIGB Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1 59417038 VGTNMVQNELKQGC-AFUMVMLFSA-N 444.516 4.333 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 223176173 WQTDDLPSBMTJKG-MOSHPQCFSA-N 443.459 4.125 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc(C(=O)O)cc1 408782671 YELMPKOVGPVJQJ-MTJSOVHGSA-N 434.492 4.132 50 40 IIGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408965367 KTJKKYBCMUIZCI-FOKLQQMPSA-N 447.363 4.200 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Oc1nc(Cl)ncc1F 409005526 DYPRQVOKWOUHNG-PGGKNCGUSA-N 435.242 4.487 50 40 IIGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)C(C#N)=C(N)O2 409129444 GPRYGCZXRUMBHN-IBGZPJMESA-N 437.843 4.077 50 40 IIGB COc1cc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(Cl)cc2)ccc1OC(C)C 818319 FECPHVDIKHYENS-LJQANCHMSA-N 429.929 4.436 50 40 IIGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)Nc1ccc(Cl)cc1 1085392 DSEBNGVIQUGTGK-UHFFFAOYSA-N 448.704 4.487 50 40 IIGB COc1ccc(-c2n[nH]c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1OC 2484139 KVRKBPNKUKSBJA-MRXNPFEDSA-N 426.835 4.105 50 40 IIGB O=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C/C=C/c1ccccc1Cl 3140284 FPWQHVGMKSPZJJ-DZDNCDRKSA-N 438.665 4.205 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OC(=O)c2ccccc2)c1 9289418 YRMREOXIPDVTCF-BUVRLJJBSA-N 437.293 4.361 50 40 IIGB Cc1nc(COc2cccc(C(=O)NNC(=O)c3cc4c(s3)CCCCC4)c2)cs1 40013492 JLHLWJJQYKUZKJ-UHFFFAOYSA-N 441.578 4.436 50 40 IIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 107921298 QSISPRZABPRNSA-SRZZPIQSSA-N 428.788 4.109 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1O 408764037 IANWLZJRKKCELF-ZSOIEALJSA-N 429.270 4.302 50 40 IIGB CC(C)n1nnnc1-c1ccc(NC(=O)NNc2nc3ccc(Cl)cc3s2)cc1F 1670173596 CQDDSIFZDHYWNN-UHFFFAOYSA-N 446.899 4.472 50 40 IIGB O=C(COc1ccccc1)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 989527 FBTSUGVFQKBIGT-PBBVDAKRSA-N 435.483 4.286 50 40 IIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c1C 2440562 ZLRPZZYMFYEIDR-HMMYKYKNSA-N 442.519 4.332 50 40 IIGB CCCOc1ccc([C@H]2[C@@H]3CN(CCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 16037937 XUODHVFVEHTAMS-QPPBQGQZSA-N 445.567 4.009 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(O)c1 20247976 ONSUZBUHJXQWMS-SRZZPIQSSA-N 435.343 4.103 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1 108084259 YAZRNZOTXOIBEX-WGOQTCKBSA-N 431.492 4.387 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1O 408726964 WNGPUSUDNLJNGH-ZSOIEALJSA-N 448.260 4.250 50 40 IIGB N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NC[C@H]1CCCO1 872816 QCEKTOUDOWTRLZ-WORNYLJVSA-N 433.483 4.062 50 40 IIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 9440670 WWBZVNNJUUTCPV-GXDHUFHOSA-N 428.242 4.468 50 40 IIGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl 13562692 RWIAWKNCUPPTRT-YSURURNPSA-N 442.781 4.402 50 40 IIGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccccc1Cl 32675360 PQBVWNIJKQUREX-UWVJOHFNSA-N 446.526 4.394 50 40 IIGB CCOc1cc(Cl)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 59333439 YSZWXFPTVPGFKR-RGEXLXHISA-N 439.943 4.393 50 40 IIGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)NCCc1c[nH]c2ccccc12 408852071 HSQYSAFAAYSCEL-LGMDPLHJSA-N 425.444 4.392 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 409257617 RFRZCGDACHDTOF-QFEZKATASA-N 437.883 4.130 50 40 IIGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 6015183 NHBGCPZJEUEXDM-FQEVSTJZSA-N 446.507 4.444 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 9542329 DVHPDINBWNKYTG-SFHVURJKSA-N 439.302 4.125 50 40 IIGB Cc1cc(OCC(=O)NNC(=O)c2cccnc2Sc2ccccc2)ccc1Cl 25530151 MHSUVBWRSCBUTF-UHFFFAOYSA-N 427.913 4.035 50 40 IIGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914649 HHSPLJQTSZTSGD-KSEXSDGBSA-N 432.263 4.351 50 40 IIGB Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)Cc1ccccc1)c1cccc(F)c1 408723052 MGRPMCGTMGCRCG-ZZIIXHQDSA-N 428.467 4.137 50 40 IIGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc(Br)c1OC 409127842 KBQVKNSIOSQBQY-PUFAJPFRSA-N 437.359 4.406 50 40 IIGB COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCCCCCCCCC3)cc(OC)c1OC 1468403 DVGZZMJHIDGJRS-PCLIKHOPSA-N 442.560 4.419 50 40 IIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc2ccccc2c1 12576941 NPSWBHRQZUQKEO-CYBMUJFWSA-N 433.291 4.140 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OC 20859499 OIPZZTIFGVXZFD-RIYZIHGNSA-N 431.286 4.411 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1 59147378 PGXIPJNZYOFWEH-OEAKJJBVSA-N 428.897 4.180 50 40 IIGB c1ccc(P(=Nc2nn3nnnc3c3ccccc23)(c2ccccc2)c2ccccc2)cc1 98006105 JNADUPSRLJIMKL-UHFFFAOYSA-N 446.454 4.482 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccccc2C)cc1 408859197 MVBXKDMZOPHDTR-UHFFFAOYSA-N 427.570 4.325 50 40 IIGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F 3241047 MQTMKHDGLUBNAT-UITAMQMPSA-N 430.716 4.124 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OCC)cc3)c2C)cc1 20764379 XFJHDKJDPKKLMN-WGOQTCKBSA-N 433.508 4.433 50 40 IIGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2cccc(C)c2)cc1 408709078 WZPRKABCXQRMIB-JFLMPSFJSA-N 434.927 4.467 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccccc1C#N 408742668 RZMRDGNQWVSNAX-MZJWZYIUSA-N 449.894 4.328 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1Cl 408886648 KZGJYIXZBRSSPT-KPKJPENVSA-N 438.652 4.499 50 40 IIGB COc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 408968485 ZNBCOOYPFITXTQ-QFEZKATASA-N 449.463 4.137 50 40 IIGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Br 409304046 PGXWAMRAPJXXDB-XKZIYDEJSA-N 433.302 4.185 50 40 IIGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(O)cc1 977689 PSKYZNHGRRTIOU-MTDXEUNCSA-N 439.515 4.186 50 40 IIGB C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2F)c2ccccc21)c1ccccc1 2213828 GIJTUEVEUVVZLB-FRKCRFBYSA-N 438.462 4.128 50 40 IIGB O=C(Cc1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 2355999 WALWTXGRXUCTTK-XTCLZLMSSA-N 448.320 4.059 50 40 IIGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)N1CCCCC1 16741436 SZNKXAPCMAJQGL-XDJHFCHBSA-N 428.492 4.023 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1)NCc1ccccc1 28214859 JGHLOSFHSPFREM-OVVQPSECSA-N 447.560 4.014 50 40 IIGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCC1 409025819 XPGMIQFBTDRUQH-UHFFFAOYSA-N 440.352 4.235 50 40 IIGB COc1cc(N2CCCC2)c(OC)cc1/C=C1/C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 409093245 ZMAFSBVAYPJGJB-MFOYZWKCSA-N 427.508 4.313 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 409160028 PDMJJJNIFFNTQL-IYAOEYEUSA-N 447.922 4.422 50 40 IIGB COc1ccc(C(=O)N/N=C(\C)c2ccc(NC(=O)Cc3ccccc3)cc2)c(OC)c1 15934579 BTZKZNZSEZKUBC-WPWMEQJKSA-N 431.492 4.039 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1cccc([N+](=O)[O-])c1 30814100 TUPIMOAYMXTUER-WGARJPEWSA-N 443.463 4.080 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C(=O)O)o1 34771333 HTESLEWBBISROJ-BOPFTXTBSA-N 432.432 4.420 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)o1 408677492 RBCFWJDZROBLDH-BUVRLJJBSA-N 434.452 4.228 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 408814943 SPQOYQKQVGMYHQ-CLXYIWAZSA-N 439.309 4.254 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2C)cc1Cl 408943652 UIEJJIUFLXLSJM-DHRITJCHSA-N 438.915 4.153 50 40 IIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)o1 408959778 FSSQSQQJHNRJHI-SSDVNMTOSA-N 439.449 4.104 50 40 IIGB CC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 409014926 QHECTSYBQZBUNY-DJKKODMXSA-N 426.108 4.261 50 40 IIGB Cc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 409128078 RKXLFTYKDYWFLF-PCLIKHOPSA-N 435.549 4.034 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409251139 OPXBCYHXLCZRDY-WWTGGXICSA-N 449.457 4.047 50 40 IIGB Cc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1Br 409349826 UYFYEUPOXUKVDY-AWQFTUOYSA-N 425.124 4.082 50 40 IIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)c([N+](=O)[O-])c1 657979 PTMXYIQELPPKDF-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1790218 WEMBCJOBIMWIIH-OBKVJGTNSA-N 430.888 4.468 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)o1 2336663 NMVWQJDGPPMWQN-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB Cc1ccc(NNC(=O)NC[C@H]2CCC[C@@H](CNC(=O)NNc3ccc(C)cc3)C2)cc1 16293224 PBUYEQGMRZCTAE-BGYRXZFFSA-N 438.576 4.062 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccco1 20028793 ABAPTSWCWYUBCH-JOCHJYFZSA-N 449.532 4.385 50 40 IIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 20244102 QAURFGKFGWTLEW-RDRPBHBLSA-N 443.547 4.443 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1 59536077 DZOJBVZBYRCFLW-XMHGGMMESA-N 448.500 4.317 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)cc1 408675980 CZVBYGKKFAUVET-YZSQISJMSA-N 431.492 4.487 50 40 IIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1 409380505 FUBYJZCIKQPHBJ-MHWRWJLKSA-N 433.380 4.356 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1sc2c(c1C#N)CCCC2 854015 OCABFGZXIHYLHK-MVDPLZLPSA-N 434.565 4.108 50 40 IIGB N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NC[C@@H]1CCCO1 872818 QCEKTOUDOWTRLZ-GJPUVDBCSA-N 433.483 4.062 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 9290799 TULOHNQYMYDDHV-IBGZPJMESA-N 432.480 4.101 50 40 IIGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1O)oc1ccccc12 16137138 RIDLBASTESWVLM-VULFUBBASA-N 431.448 4.435 50 40 IIGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(Br)c1 16490889 PKIGBZZMMRBXKK-OEAKJJBVSA-N 438.281 4.330 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(OC)c1 35131987 WBNAEKBXMRCFBK-FOKLQQMPSA-N 428.828 4.079 50 40 IIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OCC 409317825 WDDDFYRYNLUMKK-MYYYXRDXSA-N 444.915 4.312 50 40 IIGB Cc1ccc(C)c(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 409363528 MDBJEKGCIPCLCI-AWQFTUOYSA-N 440.135 4.227 50 40 IIGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cccc2ccccc12 4156954 XIYJDDUHBFUXPS-LXTVHRRPSA-N 437.131 4.266 50 40 IIGB CCN(CC)c1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc1 30900887 YAQQEHWDDZXZRB-QRVIBDJDSA-N 432.362 4.441 50 40 IIGB Cc1cccc(C)c1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408654979 RBMVPJKZYAMLRP-HKUYNNGSSA-N 431.891 4.219 50 40 IIGB Cc1cccc(C)c1Nc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCC(C)C 408708039 NODBYJPJPCGFKP-WYMPLXKRSA-N 445.361 4.032 50 40 IIGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 408995852 BPRAIRKNJQBRDR-NTFVMDSBSA-N 449.514 4.108 50 40 IIGB CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1 9324622 FGIVFNSYASPQME-SSDVNMTOSA-N 443.301 4.096 50 40 IIGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccc(Cl)cc4Cl)ncnc32)cc1C 10386961 ZQXMYZFWINYOTD-UHFFFAOYSA-N 427.295 4.496 50 40 IIGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1)Nc1ccccc1F 35105186 VHUVMULCHGQKPZ-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 59334893 UMINWYMQHGLTNW-MOSHPQCFSA-N 435.480 4.296 50 40 IIGB COc1ccc(C)cc1-n1c(C)cc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)cc2)c1C 223150901 KBWRDASQXNKAHO-MXAYSNPKSA-N 438.915 4.153 50 40 IIGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408613488 ZWJVFAQJSCATSH-OPEKNORGSA-N 440.302 4.078 50 40 IIGB CCOc1cc(C=O)cc(I)c1OC(=O)/C(C#N)=C/c1ccccc1 408754935 XBVBIXUUNMAQOR-OVCLIPMQSA-N 447.228 4.015 50 40 IIGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NCc1ccccc1 408757603 AUJBYYOEVTZDAR-DEDYPNTBSA-N 427.416 4.037 50 40 IIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)c1 408799663 ZXJYBOSOWMITGD-OVCLIPMQSA-N 429.270 4.075 50 40 IIGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc4[nH]ccc4c3)C3=C2CCCC3=O)c(OC)c1 31817756 CPXGWNSXEWKOFB-XMMPIXPASA-N 440.503 4.490 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 32189082 NJZGDAGGVBZSCD-SRZZPIQSSA-N 428.788 4.109 50 40 IIGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)[C@H](O)c1ccccc1 59417716 FYJBLAYOXUYMJP-JHXRPTDYSA-N 439.309 4.212 50 40 IIGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC/C(=N\NC(=O)CCC(=O)O)[C@@]4(C)CC[C@H]32)C1 245241619 LHOJGUMNTSJVCF-KSLYUVTCSA-N 446.588 4.298 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 408590236 OHKCNOBBEHTAIL-VMHRPQTGSA-N 426.314 4.040 50 40 IIGB CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676185 GQHJQFUVYCENRH-OEAKJJBVSA-N 446.345 4.221 50 40 IIGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1 648241 JMQVGAUUCWIKDP-XMMPIXPASA-N 448.519 4.454 50 40 IIGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3c(Br)c(C)nn3C)ccc21 695966 BKSAZXKQYIPDOV-FSJBWODESA-N 438.329 4.383 50 40 IIGB C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 15974894 IKUJYAQLOLZRGD-RMNFBRRWSA-N 435.524 4.089 50 40 IIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c1C 23724584 CDEFNHMDCBAKPT-WLRTZDKTSA-N 445.269 4.089 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc3ccc(C)cc3nc2N2CCOCC2)cc1 34767343 OOGBUBDEGXEWRY-JWGURIENSA-N 426.520 4.488 50 40 IIGB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)c1 252498484 RDBDXWQCCFACJF-CPNJWEJPSA-N 444.443 4.374 50 40 IIGB O=C(Cc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408846845 RNEWSJBYSQZLKQ-UHFFFAOYSA-N 442.302 4.249 50 40 IIGB CC(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1 1302186 KMJVZUUZDQEBLO-WCTVFOPTSA-N 441.531 4.299 50 40 IIGB O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCO3)c1ccc(Br)cc1 2329367 WCOKFLTWFDRSSW-ODCIPOBUSA-N 432.661 4.143 50 40 IIGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2370378 KUKNEFFHONZWTN-ZGPWBKFBSA-N 432.332 4.166 50 40 IIGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC 12555927 CMEHXFCUMMSQNV-NTUHNPAUSA-N 446.257 4.229 50 40 IIGB N#C/C(=C\c1cnc2cnc(Br)cn12)C(=O)c1c[nH]c2cc(Cl)ccc12 78999059 NWUISPRHYCENMK-XCVCLJGOSA-N 426.661 4.416 50 40 IIGB CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 100840740 YROGJBZNMBUCPM-UXYFDLPDSA-N 431.275 4.226 50 40 IIGB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)/C(C#N)=C1/Nc2ccccc2S1 105840733 ZWXCTRLIXMUIAY-ZPEMJIOOSA-N 429.841 4.316 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408984591 SCMQEAJPGZRRQW-NSIKDUERSA-N 449.290 4.408 50 40 IIGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCC 409024342 QTUUENJNMDFTLP-MXAYSNPKSA-N 427.888 4.215 50 40 IIGB CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2OC)nnc1-c1ccc(C)cc1 1756227 IKWFSRWLJOIAIH-CLDIPPNSSA-N 435.553 4.190 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)C2=C(CCCC2)[C@H]1c1cccc(I)c1 8742181 PTSJRBACYMLGJQ-QGZVFWFLSA-N 426.261 4.029 50 40 IIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 9259129 ZRGDENLOXRWXJS-PTGBLXJZSA-N 440.547 4.359 50 40 IIGB Cc1cccc(N2N=C(C(=O)NN(Cc3ccccc3)Cc3ccccc3)CCC2=O)c1 12745542 ZHWRKPUYWLFGGJ-UHFFFAOYSA-N 426.520 4.211 50 40 IIGB COc1cc(CN2CC=C(C#N)CC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 96003714 VUJWYVVLDKBKKO-UHFFFAOYSA-N 445.441 4.387 50 40 IIGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1 408611791 WOLDNSVZJMQDSX-FQEVSTJZSA-N 447.510 4.463 50 40 IIGB O=C(N/N=C\c1ccccc1F)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408730327 FQPMCSFBICKOGU-WKIKZPBSSA-N 446.507 4.229 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccccc1F 409147823 WKVQIUBVUOQDQV-IBGZPJMESA-N 440.862 4.316 50 40 IIGB COc1cc(C(=O)N/N=C\c2cc(Cl)c(O)c(OC)c2)ccc1OCc1ccccc1 409335334 VOHYDDOUNYYBLW-MXAYSNPKSA-N 440.883 4.406 50 40 IIGB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4cccnc4)C(=O)C(C#N)=C3C)o2)cc1 101336574 CMZVOWPYWOOZQW-WSDLNYQXSA-N 437.455 4.337 50 40 IIGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCC(=O)O 408581602 JKVAPPYUXPHBLW-OVCLIPMQSA-N 432.270 4.384 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OC(C)=O 408764893 NQWGLVXUXUVLHZ-FSJBWODESA-N 441.281 4.300 50 40 IIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OS(=O)(=O)c1ccccc1 408888197 TUMDQYIDRQGOSV-OBGWFSINSA-N 434.473 4.009 50 40 IIGB N#C/C(=C\c1cc(Br)c(Sc2ncccn2)o1)C(=O)NCc1ccccc1 409099623 OVDVNYMLKFLVAZ-NTEUORMPSA-N 441.310 4.207 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccs1 409184631 HPYNBCBHYYYINW-PTGBLXJZSA-N 441.578 4.101 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccccc1 841836 KFJVOGNCAAAXTJ-INIZCTEOSA-N 442.338 4.160 50 40 IIGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(F)cc3)c3ccccc32)C1 2216139 CDCVGDWOUSMXQC-ALPATAGASA-N 448.542 4.165 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 9202989 KIXBGDUHAQBRQR-WSDLNYQXSA-N 427.254 4.100 50 40 IIGB CCOc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccccc2CC)=C1C#N 9324641 CEQWYMMZDTWLME-SFHVURJKSA-N 435.549 4.358 50 40 IIGB O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 408963341 NHGXFHLXSNFLGN-HCGXMYGOSA-N 435.185 4.240 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408977007 CAQFTHKTGREXRC-JNPOWPEBSA-N 427.504 4.263 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC(C)C 2708568 VRWISZLXYLMKEM-XNTDXEJSSA-N 439.537 4.067 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)ccc1OCc1ccc(Cl)cc1 9281997 LBQFSQYUNNMEMK-OAQYLSRUSA-N 449.894 4.143 50 40 IIGB O=C(COc1ccc(I)cc1)N/N=C/c1cccc(Cl)c1Cl 9948962 IKKSNHMRPLWOPT-UFWORHAWSA-N 449.075 4.127 50 40 IIGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1n[nH]c(=O)c2ccccc12 12854934 INYWFNVXRWGERS-AUEPDCJTSA-N 427.247 4.254 50 40 IIGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 20197720 ISGBHMBEYVOOCL-WGOQTCKBSA-N 433.508 4.433 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1C 100988828 HFQJEQXDQZMZLS-MKYLKIGJSA-N 446.359 4.474 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(N)=O)cc2)c1C 108239954 CKAUGJKZBQOTJZ-RWPZCVJISA-N 440.503 4.119 50 40 IIGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC(=O)O 408567038 CKWGCAKTGFYILP-WCIBSUBMSA-N 446.232 4.001 50 40 IIGB CCOc1ccccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408648842 KIECBTIZHJYKJC-UZLBHIALSA-N 447.890 4.001 50 40 IIGB Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)c1 408718185 OXSVGNWVFIRHDI-WSDLNYQXSA-N 427.254 4.334 50 40 IIGB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccccc4s3)o2)cc1 6073689 LVJVGVWSFPIHDZ-VBKFSLOCSA-N 449.513 4.445 50 40 IIGB CCc1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 36235468 COOADQIYNGPDDS-LEIGQCJFSA-N 440.547 4.236 50 40 IIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 58913778 UCRMUHUYRSEMLI-AFUMVMLFSA-N 438.915 4.235 50 40 IIGB Cc1n[nH]c2c1[C@H](c1cn(CCOc3ccc(F)cc3)c3ccccc13)C(C#N)=C(N)O2 96234497 UWEQZSOVNPVDKV-QFIPXVFZSA-N 429.455 4.109 50 40 IIGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1cccc2ccccc12 408728357 KDAFHEFSSJLZAR-WPWMEQJKSA-N 448.519 4.421 50 40 IIGB N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccnc1 6474961 RXMIPBWQAXNQNI-WAIKUNEKSA-N 433.471 4.133 50 40 IIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1 12274963 YAIPOTRJBYTPPD-UTKZUKDTSA-N 446.450 4.357 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(C)cc1 20240383 AUAAJMZVRIEXPA-XAYXJRQQSA-N 426.564 4.471 50 40 IIGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CC3(C)OCCO3)c2C)c1 20243836 LPYQZWXQQJYBLR-FSJBWODESA-N 448.361 4.077 50 40 IIGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32255984 ASEMWDBIVXAJOT-QFIPXVFZSA-N 431.511 4.416 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1F 33625605 JDPRZWSDCLROQS-YSMPRRRNSA-N 435.455 4.006 50 40 IIGB CC(C)CN1C(=O)/C(=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c2ccccc21 102979771 FROWHYSGRCRFNY-QCWLDUFUSA-N 449.514 4.434 50 40 IIGB O=C(N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)C(=O)Nc1ccc(F)cc1 408708380 PRJZPQQZANCXPQ-BRJLIKDPSA-N 428.826 4.451 50 40 IIGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408867198 JJSXOXSJDRHKKA-NTUHNPAUSA-N 436.224 4.375 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3OC)c2C)c1 408966243 KWFFLJKBBJIMBA-MYYYXRDXSA-N 434.496 4.435 50 40 IIGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccc5ccccc45)c(=O)c23)C1 6166479 XZPKAZQRSNNOOQ-JXNJASNQSA-N 444.560 4.447 50 40 IIGB COc1cc(OC)c(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1Br 8780819 JMEBBZSKKRFSPV-WYMPLXKRSA-N 442.313 4.182 50 40 IIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)cc1Cl 12276766 AWFDODCJHXNEMT-MRXNPFEDSA-N 429.904 4.498 50 40 IIGB C/C(=N\NC(=O)c1ccccc1Br)c1cccc(NC(=O)c2ccco2)c1 17094717 VKMANYVXNUEIKW-YDZHTSKRSA-N 426.270 4.448 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 59435293 IUIOXVYRNGSZLT-SRZZPIQSSA-N 428.788 4.109 50 40 IIGB CC(=O)OC[C@](O)(C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 85341198 IWKJWDPJOZBJMZ-RCKDXRLBSA-N 445.600 4.395 50 40 IIGB biogenic,in-vitro C[C@]1(CC(=O)Nc2ccccc2)C=C(CC(=O)Nc2ccccc2)C(C#N)=C(N)[C@]1(C)C#N 226762802 NBNYXCXQUYAOLD-FTJBHMTQSA-N 439.519 4.257 50 40 IIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1 408761056 HBMLSSQQXDHRSP-XDJHFCHBSA-N 427.460 4.258 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(F)c1 408878321 AHYJWTYQJWMDDM-DHRITJCHSA-N 426.831 4.471 50 40 IIGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 409007536 XQWOXFZRGMEYPV-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409289361 GBNXLAYMTOCNLP-UHFFFAOYSA-N 434.452 4.160 50 40 IIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 1319739 FAXCHUQFEOYIGF-HKXVIOCSSA-N 433.302 4.220 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1cccc(Cl)c1 2080887 VXVDNZGYKHIGPZ-AEOXGOBCSA-N 435.705 4.032 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249808 UWLKHYBTKRYPQR-FOKLQQMPSA-N 440.843 4.118 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccccc1 59536073 UUTXBTDSKFUVOI-XMHGGMMESA-N 448.500 4.317 50 40 IIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 408796853 QCKLKUQKEFOJFI-CXUHLZMHSA-N 443.297 4.163 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 408895979 OSFXSILEMYXDNM-JLHYYAGUSA-N 434.364 4.317 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N(C)C)c(Br)c3)cc2c1 409188410 ZAFAHEMZZISLKY-UUYOSTAYSA-N 430.302 4.424 50 40 IIGB CCOC(=O)COc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OC 409199728 CYSIZPZJCHSFNI-WGARJPEWSA-N 446.459 4.300 50 40 IIGB COCCCCCOC(=O)CCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 725446922 TWQXQZFLLBNMDQ-UHFFFAOYSA-N 432.473 4.359 50 40 IIGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1 2284314 PJPAMEPHBOLVFI-JSIHEXFSSA-N 431.561 4.434 50 40 IIGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)ccc1OCc1ccccc1 8566459 QPUQSFHIDKAGSK-CVKSISIWSA-N 442.475 4.134 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cncc(Br)c1 9108757 WFSZFBUWKNYCDO-ZVBGSRNCSA-N 449.648 4.430 50 40 IIGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc3c2CC[C@@H](C(C)(C)C)C3)[C@@H](C(=O)O)C1 13144738 XPOOSJNLSWFSSY-OIISXLGYSA-N 432.586 4.107 50 40 IIGB O=C(N/N=C\C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 14010384 WOTKRVFKFZOIBH-LWKKFVLGSA-N 432.094 4.432 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OC(C)=O 408766483 RJNKQIBYGRYIJG-OVCLIPMQSA-N 429.270 4.237 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OC 408815308 JBCBESPBILHORO-SXGWCWSVSA-N 445.313 4.088 50 40 IIGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1OC 408818215 NHLDAQQCWGAMGA-LFIBNONCSA-N 425.282 4.324 50 40 IIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2435768 LASLJMKSBOTGLP-OAQYLSRUSA-N 433.895 4.085 50 40 IIGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C45CC6CC(CC(C6)C4)C5)c32)c1 8442084 JMWWYXMWAAQHBX-OKQOGFBXSA-N 432.524 4.113 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(NC(C)=O)cc2)C(C#N)=C(N)O3)cc1 9359027 FDURIZAJVRTGDT-HXUWFJFHSA-N 429.480 4.042 50 40 IIGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 408997635 SDSLHCNBHSLRNS-WYMPLXKRSA-N 447.988 4.017 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1 409310772 BTARDDSTTKBDLT-LJQANCHMSA-N 435.549 4.413 50 40 IIGB O=C(NN=C1c2ccccc2-c2ccccc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 3208552 MLQOMIQAWDUGHY-UHFFFAOYSA-N 445.544 4.024 50 40 IIGB CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1cc(C)ccc1C 4179722 TWDFFFCRIGMMJZ-MFKUBSTISA-N 425.533 4.400 50 40 IIGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc2c(c1)OCO2 9510215 AODUDDKXWJKIGD-WGOQTCKBSA-N 434.521 4.268 50 40 IIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(I)cc1 10476080 PEHWMARZNXYMDY-VXLYETTFSA-N 428.657 4.107 50 40 IIGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc2ccccc12 11690317 MDDUAQPGVBDQKZ-IQQNDYETSA-N 443.528 4.021 50 40 IIGB Cc1ccc(Nc2cc3c(n[n+]([O-])n3CCCCl)c3c2C(=O)c2ccccc2C3=O)cc1 12461668 WTPBMRIPPBSFFQ-UHFFFAOYSA-N 446.894 4.126 50 40 IIGB Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(C)cc3)c3ccccc32)cc1 13555168 PIHVMYJZHUBBAP-VHXPQNKSSA-N 434.499 4.045 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 16689694 KUKNEFFHONZWTN-ZHTGWBIJSA-N 432.332 4.166 50 40 IIGB O=C1Nc2ccc(Br)cc2C1=NNC(=O)c1cc2c(ccc3ccccc32)o1 409227436 YKXPSQYRLVXJKH-UHFFFAOYSA-N 434.249 4.435 50 40 IIGB CCOC(=O)[C@@]1(C)c2[nH]c3ccccc3c2[C@H](c2ccccc2OC)CN1C(=O)CCl 1083103477 HUDAMNFSLHYBAX-BXKMTCNYSA-N 440.927 4.168 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C 2080916 VHHRKBQUHRUUQH-ZMOGYAJESA-N 443.341 4.422 50 40 IIGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(Oc3ccccc3)nc12 2405692 KYJLAUZFKNEIEC-HMMYKYKNSA-N 443.484 4.134 50 40 IIGB CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 14407888 FNPMZNBVNNPXHI-PCLIKHOPSA-N 433.464 4.265 50 40 IIGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(F)cc1 16712380 QKZKMZOWSFMAOH-JVWAILMASA-N 446.507 4.157 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCC(=O)O 59249750 VMBSENGVQTVWGF-SXGWCWSVSA-N 426.856 4.086 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(OC)c1 60512590 VLQDMAHIELQDPZ-SSDVNMTOSA-N 429.816 4.289 50 40 IIGB Cc1cccc(C)c1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408654984 RBMVPJKZYAMLRP-PKOBYXMFSA-N 431.891 4.219 50 40 IIGB CCCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)cc1 408708593 QZBJODRFFKFXRL-ZVHZXABRSA-N 445.361 4.258 50 40 IIGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408938326 LHIHBRNWZXVXRW-BRJLIKDPSA-N 426.879 4.284 50 40 IIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 949635 NPPIZXFUOIZCBZ-WOJGMQOQSA-N 445.504 4.155 50 40 IIGB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)N/N=C/c3ccccn3)cc12 1097526 VYFNWQNCKVOICV-JFLMPSFJSA-N 443.459 4.201 50 40 IIGB CC(=O)Oc1c(C[C@H](Br)CBr)cc2c(c1C)CC(=O)C=C2C 2572934 ILYNMXZCPNWNHW-ZDUSSCGKSA-N 430.136 4.150 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2ccc(N(C)C)cc2)c(C)n1-c1ccc2ncccc2c1 9311503 LROUZDGHXJVVJU-LQKURTRISA-N 441.535 4.237 50 40 IIGB CCOC(=O)[C@@H]1S/C(=C(/C#N)c2ccccn2)N[C@@]1(c1ccc(C)cc1)C(F)(F)F 12543535 VAWJEEKEVPFSRV-PPIHSYMMSA-N 433.455 4.308 50 40 IIGB COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C(\C=O)c1nc2ccccc2o1 16195925 PXBJWEZKUZDPLS-JQIJEIRASA-N 449.488 4.289 50 40 IIGB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@@H]2Br 100693987 UEBHWEPVVUTSES-GXZSMAFLSA-N 449.781 4.174 50 40 IIGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 226767499 RHNHTKZGCSOVCR-UHFFFAOYSA-N 438.827 4.063 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 408748156 ZHJKYYFWFPCMJT-MTJSOVHGSA-N 443.459 4.406 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1O 408786594 LBMRKRIRSIOVQE-ZROIWOOFSA-N 430.302 4.165 50 40 IIGB N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409064062 BJVYRPUCVMVKHP-ODLFYWEKSA-N 443.415 4.418 50 40 IIGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)ccc21 2628364 RWGQTQDGNYDASF-UHFFFAOYSA-N 428.492 4.018 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 4083861 UGZPQYGFMCBGBC-QGMBQPNBSA-N 447.422 4.175 50 40 IIGB CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCCCOc1ccccc1OC 13895538 DCQKVLNRAZPYFI-OEAKJJBVSA-N 436.892 4.285 50 40 IIGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccccc1 30843475 LVDVWXNYGHYCIE-YSMPRRRNSA-N 432.476 4.060 50 40 IIGB O=C(NNc1ccccc1OCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 408601820 BVPREGPGNMNORP-GOSISDBHSA-N 435.911 4.415 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccccc1OCC 408603198 FBSZAXUHIMCXOZ-OAQYLSRUSA-N 446.532 4.171 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(O)cc3Br)cc2c1 409187315 OVLIRAHQRNIDJI-FBHDLOMBSA-N 433.258 4.072 50 40 IIGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl 409240454 KTXHKXLEXRCKKX-GDNBJRDFSA-N 432.307 4.384 50 40 IIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@H]2C1 8742161 YJKJPGFKLRSBPU-GSDGAUQMSA-N 445.526 4.227 50 40 IIGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1OC 12275906 DNFKMJHARIPFJR-KSFYIVLOSA-N 442.924 4.000 50 40 IIGB C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1cccc([N+](=O)[O-])c1 12362342 NTAVVONDJIZWJF-LPYMAVHISA-N 442.269 4.430 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(F)cc2)c(C)s1 648085 KDSRAWRGZSLILE-HXUWFJFHSA-N 428.485 4.419 50 40 IIGB Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc21 2236405 AOJBQBAJNBCNEA-XZSMOWGESA-N 434.499 4.297 50 40 IIGB CCCCCCCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 2676177 AVXNGORFIANVQZ-UHFFFAOYSA-N 445.155 4.345 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1 8811038 DISHURZDMCKSGZ-ZVHZXABRSA-N 432.505 4.382 50 40 IIGB CC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccc(Cl)cc1 8972352 ZDRIVAKQLXDVJW-GOSISDBHSA-N 444.969 4.453 50 40 IIGB CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)ccc1OC 12275271 AKOBVJPPCWZIQK-KOSHJBKYSA-N 436.533 4.046 50 40 IIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC#N)c(I)c1 408745432 SDDZXOUNKDCDBT-GDNBJRDFSA-N 443.244 4.048 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OC)cc2Cl)cc1 408791820 CZNNJGUCKJYZID-MHWRWJLKSA-N 428.872 4.470 50 40 IIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(Br)c2)o1 855688 FPHQDHRMXTUOSQ-SRZZPIQSSA-N 444.241 4.146 50 40 IIGB O=C(CNc1ccc2ccccc2c1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 9273108 MTLUAKZSOPSSDI-URGPHPNLSA-N 434.499 4.319 50 40 IIGB COc1ccc(C2=NO[C@](C)([C@H]3CC=C(C)/C(=N\NC(=O)c4ccccc4O)C3)C2)cc1 102776573 IVWYPARVHVURSP-WBEFBVAUSA-N 433.508 4.426 50 40 IIGB NNC(=O)CCc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226342359 UOKKNPBLKIBZQD-UHFFFAOYSA-N 436.108 4.397 50 40 IIGB CC(=O)Oc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1 408995515 ARYCBCQYJKLJEN-DHRITJCHSA-N 439.899 4.202 50 40 IIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1OCC 409392914 UBEWGZMFKYDPKN-JFLMPSFJSA-N 435.911 4.466 50 40 IIGB C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2F)c2ccccc21)c1ccccc1 2213832 GIJTUEVEUVVZLB-DLTPIXJPSA-N 438.462 4.128 50 40 IIGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)cc1 408734194 FQEHSSMVXXDHBN-WLGHQHAYSA-N 449.551 4.253 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c(C)c1 408747292 LRTCWXFSHABPNR-UCQKPKSFSA-N 427.504 4.413 50 40 IIGB CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I 408852407 KKWCUQZDHMFLAP-JAIQZWGSSA-N 434.233 4.200 50 40 IIGB CCOc1cc(Br)cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1O 1436565 DZHQDGCOSDJWPN-SSDVNMTOSA-N 444.285 4.281 50 40 IIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1O 48572804 PPJKNCVHXLDMRL-UFWORHAWSA-N 446.526 4.263 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c1Nc1ccccc1C 408706896 DVKJWZGGHASHDE-WKTMJKCCSA-N 444.535 4.117 50 40 IIGB COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 408758726 PVUXQUJQRNJMHR-XMHGGMMESA-N 448.500 4.317 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccccc1 408944284 UTEUDPFRFUWWBQ-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2)c1 409006607 PZGMPROTHVBLHG-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)cc1 409327358 SNNQNDVBVSKUHH-LJQANCHMSA-N 435.549 4.413 50 40 IIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1 895938 QPQIHRQKAXBZNE-CMNXJCJSSA-N 448.486 4.177 50 40 IIGB O=C(CCl)O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 1397250 GPJNWOYDROVPNK-JLPGSUDCSA-N 431.197 4.392 50 40 IIGB COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C(C#N)=C\c3ccccc3)ccc2C)cc1 5941926 VYDQKVQMIVYELG-RGEXLXHISA-N 447.516 4.350 50 40 IIGB CC(C)(C)c1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 18194965 JXSPYXRCGBBUIM-GNVQSUKOSA-N 441.531 4.430 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccco1 100537214 PAGPVULITVXTDC-OAQYLSRUSA-N 435.505 4.077 50 40 IIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC 107713211 KCGDZJNPFFWZTE-CFRMEGHHSA-N 426.856 4.269 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)O 408792920 MLRRJZWYTWQPJH-AWNIVKPZSA-N 435.263 4.401 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I 408799579 ZXZKFAUQQKWOMZ-OQLLNIDSSA-N 432.261 4.462 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1NC(=O)c1ccccc1 409214047 XGDMIMMWDLYADO-YUMHPJSZSA-N 440.503 4.171 50 40 IIGB Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)c3ccccc32)cc1 409364721 OWRGMIQVHCNHOJ-LQKURTRISA-N 439.515 4.462 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 1917777 QKNCUOHUYKISQY-XMHGGMMESA-N 448.519 4.186 50 40 IIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCC3)c(Oc3ccc(Cl)cc3)nc12 2211081 PTRHKKQGWXYDEV-DTQAZKPQSA-N 448.910 4.414 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C\C=C\c3ccco3)nc3ccccc3c2=O)cc1 16712161 KWSCCVYULWQYJM-DGCVNABQSA-N 444.516 4.195 50 40 IIGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cc1nc(-c2cccs2)oc1C 24777470 QSZQBJHIRXCNBI-UHFFFAOYSA-N 438.534 4.147 50 40 IIGB N#CSc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 95471594 IADRQCYQIUVSOE-JYRVWZFOSA-N 433.276 4.145 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)cc(OC)c3OC)cc2c1 409188456 ZGPKHXJLXKNPAR-JJFYIABZSA-N 447.285 4.375 50 40 IIGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1 409322781 LAZNNVIWMDDTDW-HNNXBMFYSA-N 427.526 4.258 50 40 IIGB C[C@H](C(=O)N/N=C/c1cccc2ccccc12)n1cnc2sc3c(c2c1=O)CCCC3 1783740 NZKOHLDOUZJVNZ-PBEVGHANSA-N 430.533 4.201 50 40 IIGB CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)ccc1O 2440477 LBTRECHFBNIXBV-QGZVFWFLSA-N 425.485 4.149 50 40 IIGB C[C@@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1cccc2ccccc12 2748164 CNJRAEZGTWFVLT-CYGNYLSHSA-N 443.288 4.395 50 40 IIGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)cc1OC 9308871 XMLSAILJBOGFBC-OAQYLSRUSA-N 446.507 4.489 50 40 IIGB Cc1cc(C(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 9851600 VONLXCXNKZFQPB-UHFFFAOYSA-N 435.280 4.016 50 40 IIGB CCn1c(SCC(=O)N/N=C(/C)c2ccccc2Cl)nnc1-c1ccc(OC)cc1 13582256 HUTLDTBCVXUTOB-UCQKPKSFSA-N 443.960 4.260 50 40 IIGB N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21 223812924 AYVPTFZDSQPTFB-XDOYNYLZSA-N 440.890 4.081 50 40 IIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCC(=O)O 409073164 VHDQYXQYLRMUJJ-LICLKQGHSA-N 440.883 4.476 50 40 IIGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1 409194993 RWHBQVMLOBDXRM-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccccc3)C2=O)cc1 12032381 DQHSOFKOXRTKOQ-CYVLTUHYSA-N 425.579 4.374 50 40 IIGB Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 13062608 GXTNGNWTKVIZOB-ZDUSSCGKSA-N 439.537 4.132 50 40 IIGB CC(C)(C)OC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 20026757 CAVOZSAXLDQNEX-GUYCJALGSA-N 441.944 4.062 50 40 IIGB COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc(Br)c1O 58854486 DOZIVXAFNPBHJU-DNTJNYDQSA-N 443.750 4.200 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cccc(C)c1 59500481 YWNWXYNWRXLZCC-QQXSKIMKSA-N 432.476 4.385 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408586044 AYSFLEDGPVPLPK-FSJBWODESA-N 426.860 4.428 50 40 IIGB COc1cccc(C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409013187 MBXBGILINUHDSF-CVKSISIWSA-N 431.492 4.093 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1 409314568 LFYXTEDHCNBVSY-MRXNPFEDSA-N 441.940 4.368 50 40 IIGB CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)cc4)CC(=O)N3C2)cc1 2364651 QAXQZOJOYIFDJO-FQEVSTJZSA-N 449.532 4.091 50 40 IIGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC1CCCCC1 2431729 HTRHWDIAURFPFI-XDJHFCHBSA-N 442.519 4.460 50 40 IIGB CCCCC(O)(CCCC)C(=O)NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 4837632 MEPJRICQEYLXSO-UHFFFAOYSA-N 427.501 4.384 50 40 IIGB CCOc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1cccc(Cl)c1 8398677 UBRXQYGUGMGZGM-MFKUBSTISA-N 429.948 4.254 50 40 IIGB Cc1ccc(OCC(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)c([N+](=O)[O-])c1 9019098 NKVUVCRHKXSLMK-WGARJPEWSA-N 442.475 4.435 50 40 IIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1C 408678359 XORAOBAERZPQBM-WPWMEQJKSA-N 444.535 4.245 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(N(C)C)c3)c2C)c1 408968271 VBVJPGHLELOSCN-WGOQTCKBSA-N 432.524 4.101 50 40 IIGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C 408993453 DBLBKHNRZYNBTE-WYMPLXKRSA-N 440.887 4.493 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc([N+](=O)[O-])ccc1O 409059175 UUTWIJKGZGAHRH-FSJBWODESA-N 425.828 4.297 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409272473 QMLPGLJCJADNNU-RGEXLXHISA-N 427.460 4.258 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(O)cc1 12466935 DXHWFMJFLIMDGR-KGENOOAVSA-N 444.607 4.477 50 40 IIGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 32116345 MPRLXTNRIVMXES-LGUSAWBASA-N 447.310 4.420 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 58912554 UUPLKOHXUNDXMV-ZMOGYAJESA-N 435.355 4.254 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c(OC)c1 60512589 KFDYBAVJFBLBPZ-ZVHZXABRSA-N 432.505 4.382 50 40 IIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccccc1I 408551983 QLTIOOCMGUWTCI-FBHDLOMBSA-N 432.183 4.003 50 40 IIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1 1099758 FVBCGIFHKDQRSQ-UFFVCSGVSA-N 434.290 4.318 50 40 IIGB COc1cccc(C(O)(C(=O)N/N=C(\C)c2ccc(Cl)cc2)c2cccc(OC)c2)c1 8921617 YPHZGSFQBHNLGQ-WGOQTCKBSA-N 438.911 4.134 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1 9355285 PAJQUUPGWQEZKT-AFUMVMLFSA-N 449.463 4.020 50 40 IIGB Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 12362983 CTKZTWNBAHUHSD-LSCVHKIXSA-N 426.432 4.431 50 40 IIGB O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(CCCCl)cc1 58170960 TWNXZGNKTVBHLO-UHFFFAOYSA-N 435.895 4.415 50 40 IIGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 83316975 WAGFLHLWRRUOSN-YSMPRRRNSA-N 443.459 4.223 50 40 IIGB COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc(C(=O)OC)c1 100870262 ONBYHSKHGUANDW-SFQUDFHCSA-N 449.488 4.368 50 40 IIGB COc1cc(N2CCCCC2)c(OC)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408676589 KWAIBSCCGFRDFW-NLRVBDNBSA-N 436.556 4.058 50 40 IIGB Cc1ccccc1Nc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCCC(C)C 408707292 IWLXXMZQSMQAME-ZMOGYAJESA-N 445.361 4.114 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C)cc(C)c3)=C2C#N)cc1 409312626 MYYQCIJUDGZSSV-FQEVSTJZSA-N 435.549 4.413 50 40 IIGB O=C(OCCCl)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 8432581 CMSCOIHDJDRXPJ-UHFFFAOYSA-N 429.925 4.478 50 40 IIGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/CCc4ccccc43)c2)c(C)c1 33581879 JCRNDWHVLIZFNY-BZZOAKBMSA-N 433.533 4.185 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 59366761 DAXLHCIIALLICF-JJIBRWJFSA-N 441.940 4.076 50 40 IIGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 409102732 ZPGCJOHFPXVFRG-QRVIBDJDSA-N 442.313 4.104 50 40 IIGB CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4)CSC3=C2C#N)ccc1O 2441296 HVMFIVPIZZISOJ-SFHVURJKSA-N 437.521 4.019 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccccc1O 13598697 YUBNXOLNDRUVPW-KGENOOAVSA-N 444.607 4.477 50 40 IIGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1O 73392715 GNTXIHFFFLAUNG-YSMPRRRNSA-N 427.460 4.389 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 408774790 XMHAZAGUHBBDLF-MFOYZWKCSA-N 443.297 4.158 50 40 IIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OS(=O)(=O)c1ccccc1 408886641 KYFRPXOUAOLBSZ-XDJHFCHBSA-N 448.500 4.317 50 40 IIGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Br)cc3)cc1)C(C#N)=C(N)O2 409141937 JRXNBLSUXDHFNB-IBGZPJMESA-N 437.297 4.278 50 40 IIGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1COc1ccccn1 8951496 QNFSDGANHNZXDO-ZMOGYAJESA-N 440.297 4.196 50 40 IIGB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)CCl)cc1OC 12419772 HNOIYVLZMBVEMD-UHFFFAOYSA-N 430.888 4.037 50 40 IIGB O=C(N/N=C/c1ccccc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 14923810 NXTJOGSFABNNAO-JPCQLYNOSA-N 448.866 4.169 50 40 IIGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)O)=C(C#N)[C@@H]2c1ccc(Br)cc1 20813601 HTRIYXWEWDJQMO-KRWDZBQOSA-N 447.354 4.332 50 40 IIGB O=C(Cc1ccccc1)N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21 40138833 SKSBAXYMQGGKTA-IKPAITLHSA-N 449.510 4.328 50 40 IIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)c1 59247954 XBLCDSNFCAXTPQ-GDNBJRDFSA-N 430.302 4.041 50 40 IIGB C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1 59379215 YFRRZFZHSYESDZ-AEIQVQRHSA-N 435.911 4.247 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)[C@H]2Oc3ccccc3O[C@H]2c2ccccc2)cc1OC 95532880 SXMHIRMDFRPNMA-NRYSQFAASA-N 432.476 4.125 50 40 IIGB Cc1c(NC(=S)NC[C@H](Cl)Cc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 3051934 RRCIYWHFUQPGHL-MRXNPFEDSA-N 449.407 4.274 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc2c(cc1Br)OCO2 3096760 MERXDVDQYYUVHL-CGOBSMCZSA-N 446.084 4.014 50 40 IIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 8984590 LUOWOGBGVLWMRS-MFKUBSTISA-N 441.447 4.328 50 40 IIGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(Cl)c4)CC(=O)N32)cc1 12275763 ASBJIUNFQBPUFX-XMSQKQJNSA-N 426.925 4.382 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 13941969 DZDVFRFRWWMCHV-BUDOKORBSA-N 426.900 4.130 50 40 IIGB C/C(=N/NC(=O)C[C@@H](C)O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 19644107 MSYGKRJNECFVBU-CCZPVOIUSA-N 445.947 4.057 50 40 IIGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 59639089 ZOYUBJNTHRWESI-FLKNIFQJSA-N 439.874 4.205 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 108947609 LQHYZLGHYXGJFP-SSDVNMTOSA-N 429.816 4.289 50 40 IIGB Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1 8557275 AUXAUNSUCYDAKF-CVKSISIWSA-N 426.476 4.434 50 40 IIGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1cccc(Br)c1 8916688 FTMWMSPRWKSOKF-RVDMUPIBSA-N 436.265 4.484 50 40 IIGB Cc1ccc(-n2ncc3c(NNC(=O)c4ccc(Cl)c(Cl)c4)ncnc32)c(C)c1 10386979 XBFHGOSNHPEFHB-UHFFFAOYSA-N 427.295 4.496 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OCC)cc2)cc1 12275542 SDUQAECVSDKVLN-RDPSFJRHSA-N 436.533 4.127 50 40 IIGB O=C(O)/C=C\C(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@@H]2Br 17163907 BOHCVBKSPQRENQ-OSJSJHBBSA-N 437.087 4.493 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 408718616 KBDQTALKTSCTFL-MYYYXRDXSA-N 447.447 4.285 50 40 IIGB COc1cc(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1OC 408966025 YRCKAHIAJXRHLP-LSFURLLWSA-N 431.208 4.249 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)n1 409221366 PIVIMDHWLYAEEJ-DHRITJCHSA-N 429.549 4.339 50 40 IIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1O[C@H](C)C(=O)O 409246637 KALCKSUXNIFKOF-JYVXZMADSA-N 435.263 4.400 50 40 IIGB C/C(=N/NC(=O)CCCSCCCC(=O)N/N=C(/C)c1ccccc1)c1ccccc1 17288829 ATVJQCXHIFNVEG-DQIQZUARSA-N 438.597 4.361 50 40 IIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)Nc1cccc(Cl)c1 58883093 HXIHJXLLMWXDLQ-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB O=C(O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 245232537 XFUDWICYIROLJB-XBZYMBQXSA-N 449.872 4.254 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1C 408661623 XLVKIWACZSKBDP-XLIONFOSSA-N 431.891 4.219 50 40 IIGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc(Br)o1 409001784 KKUYMWMEEQFDTO-ZQUUHJABSA-N 438.281 4.458 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccccc2)CC1 409004035 ADKXPYXYMONYFI-TURZUDJPSA-N 441.531 4.268 50 40 IIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409368605 DRIBKCJBDQYGBR-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB COC(=O)c1cccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c1 1801201 DISYKLXEJVHMJI-LSDHHAIUSA-N 441.119 4.311 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C(C)C)ccc1C 2081087 VMAXGMYSVFHMPI-ZMOGYAJESA-N 443.341 4.422 50 40 IIGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)CNc3cccc(C)c3)cc2)cc1 23410941 LIUSIMXPVOJMNO-IQANUMLXSA-N 443.503 4.185 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 408779142 AKYKKMGXHNLPOV-XLNRJJMWSA-N 426.520 4.476 50 40 IIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1O[C@@H](C)C(=O)O 409249330 NHNSFZZZGUTQSG-LFTLCWSBSA-N 435.263 4.400 50 40 IIGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1 409321479 HUTVYRUXVJATFY-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)c1 12275063 QVHSREMGVUXIBH-UTKZUKDTSA-N 446.450 4.357 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccccc1O 14407425 GTMNUQLAIQWUIQ-KEBDBYFISA-N 430.214 4.087 50 40 IIGB COc1ccc([C@H]2CC(=O)N3CN(CCCc4ccccc4)CSC3=C2C#N)cc1OC 20348135 BPBHHKIGPCBDEL-HXUWFJFHSA-N 449.576 4.351 50 40 IIGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(N5CCOCC5)cc4)nc(O)c23)C1 96669418 WTWLULRLVQYKLY-SUCHYCSPSA-N 432.549 4.422 50 40 IIGB CC(C)NC(=O)[C@@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C 100868592 JEAXZBDSWRBFJL-ZEGGKSINSA-N 446.021 4.197 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 408882168 QFFPYJPQOGMICH-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1OC 409359255 ATNKFNXTOMYKHR-FSJBWODESA-N 443.843 4.218 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Cl)c1OCc1cccc(F)c1 661013 VWJOMQZEKGOFFW-IBGZPJMESA-N 440.862 4.316 50 40 IIGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)c1 1250271 SZELHJGVRYPQTM-FOWTUZBSSA-N 449.488 4.368 50 40 IIGB BrC[C@H](Br)[C@H]1CC[C@@H](Br)[C@@H](Br)C1 2027191 PQRRSJBLKOPVJV-YWIQKCBGSA-N 427.800 4.472 50 40 IIGB CCOc1cc(C(=O)N/N=C/c2ccccc2Br)cc(OCC)c1OCC 8882513 CQYNZJXJFCRKGF-LPYMAVHISA-N 435.318 4.409 50 40 IIGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)cc1 9086177 ACVSYEASDKPVMR-LJQANCHMSA-N 432.505 4.015 50 40 IIGB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2C)cc1 12529261 MNNQHDBTOUWTQQ-UHFFFAOYSA-N 426.476 4.401 50 40 IIGB CC/C(=N\NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(OCCN2CCCCC2)cc1 17094767 XZCREVUVSDOCNT-AYBPGSHHSA-N 426.388 4.366 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c1 19593576 LPQPCXQYPNIBSG-MLPAPPSSSA-N 435.263 4.401 50 40 IIGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408608213 GUHRPRDEEQXPTD-ZCUUTASWSA-N 440.302 4.076 50 40 IIGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408640936 BQPNRMBOLLAEGL-RDTXWAMCSA-N 438.282 4.256 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 408814328 GVTRWHBGAFDVFI-ONRVGMAUSA-N 431.330 4.072 50 40 IIGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408855324 LTVKTBBPNMWUFA-MXAYSNPKSA-N 439.899 4.147 50 40 IIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3OC)c2C)cc1 408868781 ORSXBTOIDNIOQI-FYJGNVAPSA-N 445.519 4.343 50 40 IIGB O=C(N/N=C/c1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409004844 FKDDDCDUJFNDRM-LGJNPRDNSA-N 437.849 4.361 50 40 IIGB CCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OC)c1 409336428 SKMAVQYWINEFAN-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB CCn1c(SCC(=O)N/N=C/c2c(F)cccc2Cl)nnc1-c1ccc(C)cc1 1301651 NQXXHEDIAPRVLP-FOKLQQMPSA-N 431.924 4.308 50 40 IIGB CCOc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)cc1 59436958 WWWVTTKJPFCIEE-UHFFFAOYSA-N 443.569 4.107 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(C)cc2C)cc1 408774287 YWHPEWXLBPXMAC-UHFFFAOYSA-N 427.570 4.243 50 40 IIGB COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 408804086 VOCGYCLNUJAGDS-SFQUDFHCSA-N 438.325 4.122 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409030859 FSZRTGFLFVNQOQ-MFKUBSTISA-N 449.463 4.345 50 40 IIGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N32)cc1 12275051 HNTGPROUFDEFIH-PGRDOPGGSA-N 426.925 4.382 50 40 IIGB COc1cc(-c2cc(C(=O)N/N=C\c3cccnc3)[nH]n2)ccc1OCc1ccc(C)cc1 32519354 OVGPJNMXMSHKET-DICXZTSXSA-N 441.491 4.132 50 40 IIGB N#CSc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 95471475 UDVXVGTUZQEALN-JYRVWZFOSA-N 433.276 4.145 50 40 IIGB CC(C)(C)[Si](OCCCCCCC[C@@H]1N[C@@H]1CO)(c1ccccc1)c1ccccc1 169807303 BGUXLCIDVLNRLF-LOSJGSFVSA-N 425.689 4.236 50 40 IIGB Cc1c(Cl)ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1C 1926739 QRXQLMMJNBMGOC-UHFFFAOYSA-N 438.911 4.229 50 40 IIGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)s2)cc1 2324844 LCYHCIHTXVYOAG-KEBDBYFISA-N 430.580 4.087 50 40 IIGB O=C(OCCCl)Oc1c(Br)cc2sc(=O)oc2c1Br 3100121 NPOJKSQQOPYYOU-UHFFFAOYSA-N 432.473 4.134 50 40 IIGB N#CC(C(=O)COC(=O)c1cc(Br)ccc1Cl)=C1Nc2ccccc2N1 3271638 NGUSZKWFDZXIBV-UHFFFAOYSA-N 432.661 4.101 50 40 IIGB CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 12559654 UZKJJFBLKFLBFL-XLVZBRSZSA-N 441.531 4.430 50 40 IIGB C/C(N)=C(\C#N)C(=O)COC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 104350542 IKPFMMOKYKZFBK-ZHZULCJRSA-N 442.496 4.012 50 40 IIGB CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)s1 408731634 OGIGKZUCWTVFJC-SRZZPIQSSA-N 442.372 4.447 50 40 IIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408951881 VDJCRPHHVZTFJK-WYMPLXKRSA-N 425.872 4.218 50 40 IIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1 408959851 GXEMUDJKFYGGRT-DICXZTSXSA-N 446.503 4.364 50 40 IIGB COC(=O)c1ccccc1[C@H](Br)[C@]1(Br)OC(=O)c2ccccc21 3845500 TYEZGMJNGDGVDV-WMLDXEAASA-N 440.087 4.328 50 40 IIGB biogenic C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc2c(c1)OCCO2 9373431 PMGBXXNPJDZYBY-WPWMEQJKSA-N 448.548 4.311 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C)cc1 17096849 CNYMKAUNYIDSQW-DEDYPNTBSA-N 430.460 4.429 50 40 IIGB Cc1ccc(S(=O)(=O)/C(C#N)=C\NC(=S)Nc2cc(Cl)ccc2Cl)cc1 17223387 CVEGCQCBDLYOKV-UVTDQMKNSA-N 426.350 4.427 50 40 IIGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N\NC(=O)CNc3ccccc3C)c2)cc1 34378597 VOHLLFCTBBHINS-UKPRZSECSA-N 443.503 4.185 50 40 IIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 408963771 PEHIOORAXKFPKK-FSJBWODESA-N 441.827 4.169 50 40 IIGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)cc2)c1 409008562 XXOMNUALZHVPCS-MBTHVWNTSA-N 444.535 4.192 50 40 IIGB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNC(=O)c3ccccc3F)cc12 2628528 RFUCJYZWBDJXGK-UHFFFAOYSA-N 442.903 4.322 50 40 IIGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc(-c3cccc(C(=O)O)c3)o1)CO2 13142075 LJMJOKVRKXQGFA-XGFHMTJNSA-N 448.475 4.232 50 40 IIGB CC(C)c1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 31783250 ALIZITZFTLOUQN-BVPMPXSOSA-N 436.581 4.418 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1O 59245228 JDONGNSYXQCZIM-WUXMJOGZSA-N 432.230 4.007 50 40 IIGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Cl)cc3Cl)s2)c1 59498654 ZTTVGFBZTTZYFR-LSHDLFTRSA-N 448.335 4.098 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OC)c2)c(C(=O)OCC)c1C 408547196 UQUZGZNQKWPOAX-MHWRWJLKSA-N 441.505 4.137 50 40 IIGB CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 408601473 BBLKCDJPRUXWOH-HXUWFJFHSA-N 447.510 4.463 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408747848 USIOLWZOGVDJBC-SXGWCWSVSA-N 429.701 4.338 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1O 408789524 LYHQLOCBKXOUGG-AUWJEWJLSA-N 431.286 4.496 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1F 409125075 BWYYLLQFQDPQIE-HSZRJFAPSA-N 433.483 4.143 50 40 IIGB CN(C)c1cccc(OCC(=O)N/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409229977 BEBBHOGOFDCXLW-LQKURTRISA-N 444.510 4.424 50 40 IIGB COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1I 409239631 ZTOVLAZIEUBHAZ-YDRQLGOLSA-N 432.261 4.084 50 40 IIGB COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3Cl)c2)c1 409256869 QJLGPIXQKXEASW-QFEZKATASA-N 437.883 4.130 50 40 IIGB COc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1OC 1434337 YXIBQRMEPRRSFR-YDZHTSKRSA-N 427.298 4.312 50 40 IIGB CCOc1ccc(NC(=S)NNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 2795382 VLGQNVDQKHSWHM-UHFFFAOYSA-N 446.532 4.167 50 40 IIGB CCOC(=O)C1CCN(c2c([N+](=O)[O-])c(C(Cl)Cl)nn2-c2ccccc2)CC1 6546058 HBJGCEPXRXMACN-UHFFFAOYSA-N 427.288 4.036 50 40 IIGB CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1cccc2ncccc12 9420720 WUNOTIZESFMFOB-JWGURIENSA-N 447.498 4.463 50 40 IIGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 34771320 HCNHAKVBNZIYSA-AUWJEWJLSA-N 445.269 4.100 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ccc4c(c3)OCCO4)c2C)cc1 97990751 FOTAUWOZCDCNSJ-MOSHPQCFSA-N 442.471 4.442 50 40 IIGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 674910 RRKZMQFYCCGVES-UHFFFAOYSA-N 445.928 4.377 50 40 IIGB COc1cccc(OC)c1OCc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)cc1C 789014 BEIBQTQKQVECOM-JOCHJYFZSA-N 446.507 4.149 50 40 IIGB N#CC1=C(N)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)C12CCCCC2 8686691 LNGPKGVQSMWPND-UHFFFAOYSA-N 443.370 4.348 50 40 IIGB COc1cc(/C=N/NC(=O)Cn2ccc(C)n2)ccc1OCc1ccc(Cl)c(Cl)c1 8927570 HYAMPPDZHGNWBE-BHGWPJFGSA-N 447.322 4.236 50 40 IIGB O=C(CCCCCCCC(=O)N/N=C\c1ccc(F)cc1)N/N=C\c1ccc(F)cc1 30826565 SKQXMIOQPVFZRS-OTMNIUQESA-N 428.483 4.296 50 40 IIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2Cl)cc1 32581116 QBPCGLLMDXZCDR-XBSHTGLCSA-N 446.938 4.327 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 58911563 SQKLWQFNQXMYGC-WYMPLXKRSA-N 435.355 4.300 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCC(=O)O 408985065 UUKXGNJWVBHNKT-MLPAPPSSSA-N 435.263 4.320 50 40 IIGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1 2284316 PJPAMEPHBOLVFI-CKVBZJJFSA-N 431.561 4.434 50 40 IIGB O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1 9056978 RSEIPDBCGUKFFY-JVWAILMASA-N 439.471 4.213 50 40 IIGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 13562703 YPEIDSNKGGGMTA-MTDXEUNCSA-N 445.519 4.434 50 40 IIGB Cc1ccc(CNC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 40058105 VPDGZRCUOYTWHB-UHFFFAOYSA-N 428.467 4.494 50 40 IIGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408609493 ROYNEMLZTXPERM-GOSISDBHSA-N 435.911 4.415 50 40 IIGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCO1 408735695 WFDXDVRYIUHUEI-YWFITGJYSA-N 441.325 4.230 50 40 IIGB N#C/C(=C/c1cc(Br)c(O)cc1O)C(=O)Nc1cccc(Br)c1 408763280 IROBFVSUKWTUBD-WMZJFQQLSA-N 438.075 4.168 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4cccnc34)c2C)cc1 409016752 IGJYOHBYHQBIJC-DICXZTSXSA-N 428.492 4.180 50 40 IIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 9057331 GCTWKKIXLMTVDS-RIYZIHGNSA-N 444.241 4.137 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2)c(Br)c(Br)c1O 10059617 JCFVWMWXFOOLBG-DJKKODMXSA-N 442.107 4.080 50 40 IIGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(OC)c2)cc1 10475979 ZIUFRNYXECSMQT-OGLMXYFKSA-N 443.503 4.237 50 40 IIGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Br)cc1 13550304 FJXPJLLJSUMRPI-HIXSDJFHSA-N 434.293 4.130 50 40 IIGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)c1 13776127 CHQCSNRYDZYYPH-HMMYKYKNSA-N 436.471 4.019 50 40 IIGB O=C(NN[C@@H]1[C@H]2CCCCC2=NN1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16401014 SRMILFYQFOMNHD-HKUYNNGSSA-N 431.323 4.256 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 28214629 CFOFNQFETJCBRR-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCC(=O)O 408570756 YEAIXTNMAHTDKT-WCIBSUBMSA-N 446.232 4.001 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(I)c2)cc1 408793822 GVLSNYYEJNDXQA-XNTDXEJSSA-N 432.261 4.408 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 409273329 XGPABXFNWJMRAC-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 726369 CCBDBPCKOBCTER-AFUMVMLFSA-N 435.867 4.282 50 40 IIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccn1 1474750 GXRUCGOUOYLGJG-AFUMVMLFSA-N 448.939 4.225 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3c(C)cccc3C)cc2)cc1 9614430 MYFCWTTVLCOZLC-CVKSISIWSA-N 432.476 4.060 50 40 IIGB C=CCN(c1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 19937004 FJBNHCZHWGLJIY-NCELDCMTSA-N 433.533 4.222 50 40 IIGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cccs3)cc2)S(C)(=O)=O)cc1C 20232549 RVFKAROGIYMEME-OEAKJJBVSA-N 441.578 4.095 50 40 IIGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)COc1ccccc1-c1ccccc1 57476883 TXLPIRSREUNELE-QQXSKIMKSA-N 426.476 4.082 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(OCC)c2)cc1 57537549 XRKZHNWWMYQMBH-ZROIWOOFSA-N 431.286 4.498 50 40 IIGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 408884920 ZBVGUVLKRJHPOU-DEDYPNTBSA-N 426.428 4.458 50 40 IIGB N#C/C(=C\c1cn(CCCOc2ccccc2)c2ccccc12)C(=O)NC[C@H]1CCCO1 409194684 LHOQHOGWXVJDFB-VVMUCNELSA-N 429.520 4.313 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1c(C)cc(C)cc1C 6300227 RCKCIRVYGRBVFK-HSZRJFAPSA-N 430.508 4.449 50 40 IIGB COc1ccc(OC)c([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)c1 12276038 ZABQWNSAWBCAIL-KSFYIVLOSA-N 442.924 4.000 50 40 IIGB COc1cc(OC)c(OC)cc1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl 14198526 SQQFJJQDAVCSCM-AWNIVKPZSA-N 428.293 4.358 50 40 IIGB CCOc1cc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc(OCC)c1OCC 17098446 ZWPMAFVIDVNJDP-SLEBQGDGSA-N 433.508 4.460 50 40 IIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28214090 WRFIUHDKLLYROF-OAKZWBAKSA-N 433.533 4.335 50 40 IIGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1F 33778696 DGSYMTPJBOCVFO-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1 48572198 DOSWIRKEJGVFSM-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB COc1cccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)c1 95116686 BOIREUYJGSLEIM-WGOQTCKBSA-N 426.476 4.320 50 40 IIGB O=C(Nc1nc2ccccc2s1)[C@@H]1[C@@H](C(=O)OC(CCl)CCl)[C@H]2C=C[C@H]1C2 102815790 AEOWODMAAPJXJN-GREKMHCPSA-N 425.337 4.063 50 40 IIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@H]2C1 229967574 YJKJPGFKLRSBPU-CLAHJSNCSA-N 445.526 4.227 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(C)cc1 408718710 ZOABWXRTIXHBNQ-QQXSKIMKSA-N 432.476 4.385 50 40 IIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409242537 VPXWHAJTGFPITB-QRVIBDJDSA-N 438.371 4.127 50 40 IIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OC 409303616 NSNIKDVNBDFEJF-MYYYXRDXSA-N 444.915 4.312 50 40 IIGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1 694833 MZWOOWBGOKNTFZ-SSDVNMTOSA-N 447.720 4.120 50 40 IIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1107285 WKNPYVOQHXWFTJ-IBGZPJMESA-N 427.372 4.179 50 40 IIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1)c1ccccc1 8843155 CIWASOHSFQCCPY-BUVRLJJBSA-N 441.940 4.070 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2Br)o1 20760238 KHAZRYUZEDZVCI-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1)c1ccccc1 28213852 KVYSLHIPQHUDKM-DZTFFZQKSA-N 447.560 4.185 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38658360 YJSCBHZQVXKPCE-HSZRJFAPSA-N 446.434 4.280 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)Cc2ccccc2)cc1 59443815 RSBCKOOUSBQTQK-UHFFFAOYSA-N 427.570 4.012 50 40 IIGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1 408609067 JHAYHYDADSUYOW-JFLMPSFJSA-N 449.482 4.065 50 40 IIGB COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1OC 704818 LZINRWRGQYQKJQ-CVLFLDGLSA-N 434.492 4.200 50 40 IIGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c1 2423796 VZWFVDNMCKPQGC-HMMYKYKNSA-N 442.519 4.332 50 40 IIGB COc1ccc(C(=O)N/N=C(/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 3146469 HUAXIDFXHQACBH-MZSYMXJJSA-N 431.448 4.460 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc(Cl)cc2)c(C)n1CC(C)C 3302957 CHQPBJWPFDYWHX-KEBDBYFISA-N 427.932 4.181 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 12468947 UGZPQYGFMCBGBC-LSCVHKIXSA-N 447.422 4.175 50 40 IIGB CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(OC)cc2)/C(=C/c2ccc(OC)cc2)C1 19798449 FAOUZQKNVGCJQQ-KGEPOTPBSA-N 429.520 4.185 50 40 IIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(-c3ccc(OC)cc3)no2)c1C 9604752 VGDIVSOHEJJHSE-UDWIEESQSA-N 435.480 4.065 50 40 IIGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc2ccccc12 16491141 OSBQVTODYQDCMJ-ITYLOYPMSA-N 449.576 4.314 50 40 IIGB COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 408839948 BPUXPIYWDVIYIZ-BHGWPJFGSA-N 434.443 4.607 50 40 IIGB COc1c(Br)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1Br 408979813 SKJICLFJUUWXIF-LFYBBSHMSA-N 439.107 4.281 50 40 IIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 409004357 BZWPNMJCCBNMQB-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cccc(N(C)C)c3)c2)cc1C 409009139 BQRWITOYXPCKFX-JVWAILMASA-N 444.535 4.151 50 40 IIGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409363655 LUKZNNAMAQJACR-QQXSKIMKSA-N 447.491 4.438 50 40 IIGB Cn1nc(C(=O)NNC(=O)Nc2cccc([C@H]3CCCC(C)(C)C3)c2)c2ccccc2c1=O 1563371922 LMKCQGAWTVACLJ-KRWDZBQOSA-N 447.539 4.084 50 40 IIGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCCOc1ccc(Cl)c(C)c1 9434970 IAUJUTYHSFKUTD-FOKLQQMPSA-N 426.300 4.161 50 40 IIGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 13045474 YGVGTWAGSVMTHC-NRFANRHFSA-N 437.521 4.301 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccco1 100537209 PAGPVULITVXTDC-NRFANRHFSA-N 435.505 4.077 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC(=O)/C=C/c1ccccc1 408718651 PDKWTCRJMMFZLI-IJACUYJFSA-N 444.487 4.477 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c(OC)c1 409000336 XUNCMLWSMKQYOA-XSAQUTRMSA-N 429.476 4.120 50 40 IIGB C[C@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1783658 JKLYFVUAASDZBQ-PTGPUUDJSA-N 449.363 4.355 50 40 IIGB O=C(COc1ccc(Br)cc1)N/N=C/C(Br)=C/c1ccccc1 3089833 JXBGCWAEQBIROD-SKGUUVROSA-N 438.119 4.366 50 40 IIGB Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1ccc(Cl)cc1Cl 8448759 KEZZUUZPWXWZMP-UHFFFAOYSA-N 427.085 4.151 50 40 IIGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1 33295619 DSTGSSXXYVMAIO-GRSHGNNSSA-N 426.108 4.374 50 40 IIGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 409252201 WQPMLVRMRDROBC-WGARJPEWSA-N 430.439 4.430 50 40 IIGB Cc1ccc(C(O)(C(=O)N/N=C/c2ccc(Br)cc2)c2ccc(C)cc2)cc1 2276015 AGYVXMOJCWKHOV-MFKUBSTISA-N 437.337 4.452 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1F 13922178 IGMLMDVSAJCBGW-DHRITJCHSA-N 425.847 4.147 50 40 IIGB O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 33538756 RPFOTPFDWWZRBT-WSDLNYQXSA-N 434.433 4.062 50 40 IIGB COc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2)cc1 33541693 MMBHUDJVKVMING-QGOAFFKASA-N 445.450 4.397 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 408786514 RTSKJVCKWBYHRX-XLNRJJMWSA-N 428.511 4.489 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I 408794962 KRJZMRMFMOXDOJ-KPKJPENVSA-N 438.652 4.499 50 40 IIGB CN(C)c1oc(/C=N\NC(=O)Nc2cccc(Br)c2)cc1Br 408851038 UWRHKXNDMUFHPB-IUXPMGMMSA-N 430.100 4.026 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC 408895077 LUCVBRGHLPXFND-WSDLNYQXSA-N 433.302 4.103 50 40 IIGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c1 409254493 ZJNMJOHAIUTOMV-QFEZKATASA-N 437.883 4.130 50 40 IIGB C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=C(/C#N)C(N)=O 2965032 IXIWIOUBPYMPAE-ATVHPVEESA-N 427.298 4.028 50 40 IIGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccco1 3146110 FFQHLROVSMOKII-JFLMPSFJSA-N 443.459 4.223 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Cl)c1OCc1ccc(F)cc1 6300197 VMJPHRZQNXTLGO-LJQANCHMSA-N 440.862 4.316 50 40 IIGB O=C(NN(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 13146515 RHRLKAMUPZEZOP-UHFFFAOYSA-N 435.549 4.344 50 40 IIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc(Br)ccc1O 14408674 ZKGUIDVTEGOZDS-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB C#CCOc1c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)cc1OC 408815932 WAFHEKIOODOESS-MHWRWJLKSA-N 425.282 4.324 50 40 IIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2o1 408890744 YNOJCSDSJDGBHW-SRZZPIQSSA-N 446.326 4.398 50 40 IIGB CCn1c(C)cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c1C 409067357 PALYXFWTMYKMQM-UFWORHAWSA-N 443.139 4.119 50 40 IIGB COc1cc(OC)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 409199932 FTXQQZLSZPMPLJ-AWQFTUOYSA-N 443.750 4.362 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3)=C2C#N)cc1Cl 409313897 DOTHRWKMBDHRLQ-MRXNPFEDSA-N 441.940 4.368 50 40 IIGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccccc1Cl 409380631 ORJYAKCZQMOKDD-VULFUBBASA-N 429.948 4.300 50 40 IIGB O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccccc1Br 9190153 RFRDYOKYXDFGFB-CNHKJKLMSA-N 432.499 4.335 50 40 IIGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1OC 9292257 ZIXDIYUTPBSVNJ-SFHVURJKSA-N 438.871 4.061 50 40 IIGB CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13979661 FINRYUCCLCPOCH-UHFFFAOYSA-N 439.737 4.240 50 40 IIGB CCOc1ccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1OC 20238079 NKEPSBREXLPPTG-LJQANCHMSA-N 435.549 4.309 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 33386221 VOVIJKPTHISBCI-WSDLNYQXSA-N 426.270 4.431 50 40 IIGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)cc(Br)c1O 408727047 XBMVYPVEWWJMIO-BRGBVVNVSA-N 430.140 4.194 50 40 IIGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)cc2)cc1 408811354 NMVLHXGVYNNAAP-XDJHFCHBSA-N 433.508 4.069 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 408882399 NWYGDBLEQKPBFR-GZTJUZNOSA-N 433.420 4.095 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Cl)c1OC 408889958 LSGANOOJGRAYHW-NTUHNPAUSA-N 431.832 4.210 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccc(Br)cc23)cc1OC 3238349 DOHBSUTTZUYCOJ-KPKJPENVSA-N 426.270 4.493 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1cccc(Br)c1 58917056 WDZNPTNINWEOEL-YDZHTSKRSA-N 426.314 4.386 50 40 IIGB CC(C)N1C(=O)/C(=N\NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc21 105494291 OBEUXFYLQVLSIN-FVDSYPCUSA-N 449.514 4.428 50 40 IIGB C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CSCc1cccc(Br)c1 408720136 TXJYAUFISXWTSG-HYARGMPZSA-N 434.359 4.203 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c(C)c1 409378868 SUFGSFKFKVCECA-MOSHPQCFSA-N 429.476 4.440 50 40 IIGB Cc1cc(C)c(OCC(=O)N/N=C\C=C\c2cccc([N+](=O)[O-])c2)c(Br)c1 9908305 MDBXGRFCGFGYTM-VIOMMJHYSA-N 432.274 4.168 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c1 33475435 OJMCGTRJYGJZIG-UCQKPKSFSA-N 434.477 4.468 50 40 IIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 58928434 PKNDXFDEVMCOGG-JHKMYFMNSA-N 447.560 4.476 50 40 IIGB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br 103918311 ZIGSMOAVZRYDRP-RGEXLXHISA-N 441.329 4.160 50 40 IIGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1 408602301 CTZNHONPQSGAAO-FQEVSTJZSA-N 445.519 4.161 50 40 IIGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1Br 408755527 QPJSGEKXNZGNRU-DHDCSXOGSA-N 427.254 4.123 50 40 IIGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409233709 HMEBYPKWDKTKKF-MOHJPFBDSA-N 428.532 4.482 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)n1 409247282 MAQPGCLUEFHHPK-RPPGKUMJSA-N 447.539 4.478 50 40 IIGB CCOc1cc(C(=O)NNC(=S)Nc2ccc(C)cc2C)cc(OCC)c1OCC 1410859 DDTVJXYFIVZABR-UHFFFAOYSA-N 431.558 4.131 50 40 IIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 13305567 PKSKSKPKTAXMRG-LPHPLFSASA-N 428.517 4.459 50 40 IIGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 13785698 WQVKGYZEUHJWFK-WPWMEQJKSA-N 440.455 4.031 50 40 IIGB Cc1cc2nc(/C(C#N)=C/c3cc(Br)ccc3OCC(=O)O)[nH]c2cc1C 35252136 GIAJCOKBKJIVNY-VGOFMYFVSA-N 426.270 4.470 50 40 IIGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1)c1ccccc1 408787808 GORGGXKPIWQPQG-NDWLXSOOSA-N 431.536 4.299 50 40 IIGB CCOc1ccccc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccccc1 408864754 ZNGRLQPEKVHSHF-UHFFFAOYSA-N 443.569 4.107 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1 408874871 DQTJLZJXKGFMIA-AFUMVMLFSA-N 438.915 4.235 50 40 IIGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 408997445 GDZLZQFIXIEGNG-ZVHZXABRSA-N 447.988 4.266 50 40 IIGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Cl)cc1 409374913 BOJXEPYWOJOKDA-QFEZKATASA-N 437.883 4.130 50 40 IIGB Cc1c(Br)cc(NCC(=O)N/N=C/c2ccccc2)cc1Br 1433506 TUTXVNZPZJUGID-AWQFTUOYSA-N 425.124 4.082 50 40 IIGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2cccs2)cc1OC 8927107 TWNJGZOEGZUGLG-ILEHTTPLSA-N 449.532 4.077 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)cc(Cl)c1O 9289407 JDOJNOAAPKDKBN-UFWORHAWSA-N 446.526 4.263 50 40 IIGB O=C(CSCc1ccccc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 14185929 UEUGBYWAHMBUPO-UFWORHAWSA-N 442.722 4.394 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 223155391 AYEHALIUUHNLAU-KSEXSDGBSA-N 432.263 4.351 50 40 IIGB Cc1ccccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408660806 WXWHBDFODHWIAR-LPHOPBHVSA-N 434.319 4.425 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(C)c1 408718690 WDTZZCJZWMKVCZ-MYYYXRDXSA-N 447.447 4.285 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408850616 POWNVBPOLNRZJU-PDGQHHTCSA-N 431.452 4.185 50 40 IIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1 409141749 WOIVMSZZDOZMFV-ZZQPOVDQSA-N 428.554 4.346 50 40 IIGB O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccc(Cl)cc1Cl 1512795 JHSWSLCMMDWVBW-UFFVCSGVSA-N 449.323 4.182 50 40 IIGB CC(C)(C)C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 2076646 KYXPOBFJPPBYNI-SRZZPIQSSA-N 448.273 4.073 50 40 IIGB O=C(O)CCC(=O)Nc1ccc(SSc2ccc(NC(=O)CCC(=O)O)cc2)cc1 4118327 SNOXNSCVZPUFJP-UHFFFAOYSA-N 448.522 4.093 50 40 IIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1 6014868 JJHNKYUQHKBCLY-RBUKOAKNSA-N 435.915 4.000 50 40 IIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1 8809587 DIOHGTWBCBEBKM-OEAKJJBVSA-N 430.892 4.158 50 40 IIGB Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 12810652 WIHIFFXHJOPEDE-GXDHUFHOSA-N 427.291 4.337 50 40 IIGB Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 14166140 SIARMPWTIHGAFK-MFKUBSTISA-N 433.533 4.255 50 40 IIGB CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OCC)cc3)c2C)cc1 20764439 XEZCNOKEVVMJDU-WPWMEQJKSA-N 447.535 4.362 50 40 IIGB COc1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc1Cl 30902105 GTYVOSKWMAMZON-NKVSQWTQSA-N 425.710 4.257 50 40 IIGB COc1ccc([C@@H](C)[C@H](Br)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1 39574117 QLTVSTXOWFRMFJ-BJZITVGISA-N 432.314 4.152 50 40 IIGB N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)NCc1ccccc1F 96134007 IIDAGGXJUBMARD-OQLLNIDSSA-N 425.261 4.202 50 40 IIGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 408601471 BBLKCDJPRUXWOH-FQEVSTJZSA-N 447.510 4.463 50 40 IIGB C=CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC 409233820 HTRXHMXENCGBHX-QRVIBDJDSA-N 435.293 4.245 50 40 IIGB CCc1ccc(NC(=S)NNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 2795339 HDIAUMPAOAQPSY-UHFFFAOYSA-N 430.533 4.331 50 40 IIGB CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OS(=O)(=O)c4ccc(C)cc4)cc1c32 9846931 WLMFLNVXRJFYEL-UHFFFAOYSA-N 445.500 4.106 50 40 IIGB Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21 46084911 YTGIYOUZUPIUIN-ROMGYVFFSA-N 433.895 4.208 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 59433297 ZQOKOAXCJLEHAA-CIAFOILYSA-N 428.242 4.310 50 40 IIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(I)c2)c1 408742917 CRIZOUKRAZPAQC-GDNBJRDFSA-N 443.244 4.048 50 40 IIGB O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 865581 FMKWHOHHTMHVAZ-DHRITJCHSA-N 426.831 4.227 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc(F)c1 2093409 IVEIMSNTHGBTPX-DEOSSOPVSA-N 446.434 4.360 50 40 IIGB COC(=O)c1cccc(/C=N/NC(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)c1 59501516 ZJIXHROAPCDMTO-MZJWZYIUSA-N 427.504 4.374 50 40 IIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 109669946 RHSAQQGISAVNGY-SRZZPIQSSA-N 434.290 4.053 50 40 IIGB N#CCn1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21 408567287 CUHLYOVNPCRRFR-ZMOGYAJESA-N 436.562 4.173 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)cc1C 408790432 WCZGQHABZKEPOT-OVCLIPMQSA-N 429.270 4.075 50 40 IIGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1cc(Cl)ccc1Cl 408881444 MGRKLAIWARIGFB-YSURURNPSA-N 434.352 4.433 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccccc1OCc1ccc(Cl)cc1 408884968 WGOXOWIDBZHAES-ZRGSRPPYSA-N 437.883 4.210 50 40 IIGB Cc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 409262792 HGWDHAPGFKGTGD-CPNJWEJPSA-N 427.460 4.264 50 40 IIGB COc1cc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1O 3193648 QGFSJMNCVBEKCQ-VULFUBBASA-N 430.439 4.157 50 40 IIGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)CNc3ccccc3C)c2)cc1 13285942 VOHLLFCTBBHINS-CYRBGHQMSA-N 443.503 4.185 50 40 IIGB Cc1ccc(O[C@H](C)C(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 23397287 NHRBPPYTKAKUEF-LLVKDONJSA-N 440.681 4.237 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 59245209 UIRTWLXNSXDCJU-SRZZPIQSSA-N 442.471 4.226 50 40 IIGB N#CC(C#N)=C(NC1CCCCC1)[C@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N 78547389 NGYMERRUOQOCII-KNQAVFIVSA-N 445.324 4.313 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1F 109033822 FPZHHACANMMWJE-QFEZKATASA-N 437.427 4.014 50 40 IIGB CC(C)(C)OC(=O)N1CCC[C@H](OCc2ccccc2)[C@H]1CC(=O)CBr 138056372 NVYPBDHNERSPTE-MSOLQXFVSA-N 426.351 4.325 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccccc1Cl 408796483 YKTICIVZUNUKDQ-KPKJPENVSA-N 435.661 4.112 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 409124782 CNOYUBAXCWKPOJ-HSZRJFAPSA-N 433.483 4.143 50 40 IIGB COc1ccc(NC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409186821 IHFJRPOAIDORDH-QFEZKATASA-N 449.463 4.137 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 409248292 PGKBHIJIAIOXKJ-AUWJEWJLSA-N 434.279 4.073 50 40 IIGB CCn1c(SCC(=O)N/N=C/c2ccc(C)o2)nnc1-c1ccc(C(C)(C)C)cc1 1302812 GNWZJSPOMQTPTG-YDZHTSKRSA-N 425.558 4.406 50 40 IIGB CC(C)(C)OC(=O)N[C@@H](CSCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2575527 DEQZTANESNRFKU-SFHVURJKSA-N 432.498 4.327 50 40 IIGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)o1 8996143 CTNJASYKHPHIOR-CQSZACIVSA-N 446.326 4.061 50 40 IIGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)c1ccccc1 28215322 AIVANMQPPROWME-CIRUFVMISA-N 435.911 4.360 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 28218088 YDJKCOGQOBQWOM-SRZZPIQSSA-N 448.273 4.003 50 40 IIGB Cc1ccc(O[C@@H](C)C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 32511871 NHRBPPYTKAKUEF-NUSHWZLESA-N 440.681 4.237 50 40 IIGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])c(-n3cccc3)c12 78546556 MPWKYDQYGCUOEA-FSJBWODESA-N 449.492 4.214 50 40 IIGB C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21)OCC 105017518 BUGRPOGXDSTWIP-IDCDZWLHSA-N 445.519 4.194 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 408794594 JORCNKMYCHGVSO-XMHGGMMESA-N 433.508 4.069 50 40 IIGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1 409318342 UXDRFSDZWYFCCE-INIZCTEOSA-N 439.562 4.128 50 40 IIGB CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(N(CCCl)CCCl)cc3)C(=O)O2)cc1 675502 MKGLZHZLEZKIDH-XSFVSMFZSA-N 446.334 4.274 50 40 IIGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 14378017 BMRLVFFJZYTKAX-UHFFFAOYSA-N 443.501 4.432 50 40 IIGB COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)c1 6239662 IKMCQZFVJMKKLH-KRWDZBQOSA-N 442.397 4.331 50 40 IIGB CC1=NN(c2nc(N)nc(/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n2)C(C)(C)C1 8452921 QBNOYWRFYWQWHX-XNTDXEJSSA-N 444.455 4.051 50 40 IIGB CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1C 8856218 KDEGMHGQZDJESC-BUVRLJJBSA-N 446.345 4.220 50 40 IIGB CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(CSc3ccccn3)c1)C(C#N)=C(N)O2 13110733 SXCNGAWLNONLSP-FQEVSTJZSA-N 433.537 4.276 50 40 IIGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20240370 UAIBUPBPIXURGR-OVVQPSECSA-N 432.955 4.426 50 40 IIGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2SCc2cscn2)c1C 22894792 XGSUAMXJFNJXIZ-MRXNPFEDSA-N 441.578 4.281 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1C 33659694 SEXCHNJLUAEBFH-BOPFTXTBSA-N 432.436 4.262 50 40 IIGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 59232838 NMWXXGYPECSQEK-SXGWCWSVSA-N 445.313 4.088 50 40 IIGB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1cccs1 112290424 AEYQNTKQFSECPT-ATVHPVEESA-N 425.539 4.069 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)OC 408793656 PVFVAVBHDRULLY-RQZCQDPDSA-N 442.899 4.453 50 40 IIGB O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(C(=O)c2ccccc2Cl)CC1 409006661 QQWSYZCEVAQOQP-CVKSISIWSA-N 435.911 4.201 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(F)cc1 409137261 WGFHDDIGUAJVSF-KOEQRZSOSA-N 439.512 4.113 50 40 IIGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc(Br)c1O 9305886 JLBJEWNENBQGHP-YDZHTSKRSA-N 449.345 4.343 50 40 IIGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC3=C2C(=O)CCC3)cc1 20347493 SWEJXQVJDBNCNQ-XMMPIXPASA-N 443.572 4.474 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 408592484 YNXMPQKOXOBIID-FSJBWODESA-N 426.860 4.428 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408767877 ACSOPSDWLKKZLI-LYBHJNIJSA-N 429.586 4.345 50 40 IIGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)c1 408998405 IZTDZRKNFHKNPJ-SSDVNMTOSA-N 427.800 4.059 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1 409312580 FPOIPICATQLKRY-UCQKPKSFSA-N 445.313 4.022 50 40 IIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCC 2502641 QDNYYSKSAQKCQC-SFHVURJKSA-N 431.286 4.170 50 40 IIGB O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(Cc2ccc(Br)cc2)CC1 8780674 CEBCRMWMNNJRIL-YDZHTSKRSA-N 434.765 4.465 50 40 IIGB Cc1cccc2c(=O)n(CCCC(=O)NN(Cc3ccccc3)c3ccccc3)cnc12 32845996 IHRXGNIJWFEKJN-UHFFFAOYSA-N 426.520 4.223 50 40 IIGB N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 59332960 DBVZMWBCANNVLC-GDNBJRDFSA-N 446.732 4.064 50 40 IIGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1)c1ccccc1 408787809 GORGGXKPIWQPQG-QZMYASAMSA-N 431.536 4.299 50 40 IIGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(CSCc2ccccc2)cc1 408993616 WKUMBTBMRNYGFJ-PCLIKHOPSA-N 435.549 4.314 50 40 IIGB O=C(N/N=C/c1c(Br)sc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3098302 DKZBCBHRMBVSGI-QGMBQPNBSA-N 449.242 4.244 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2I)ccc1OC 3254383 GMPXNLCLXUHPEF-GXDHUFHOSA-N 448.260 4.244 50 40 IIGB N#C/C(C(=O)Nc1ccccn1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 9196192 GSPQARCISGOPSP-MOWYTJSFSA-N 426.501 4.147 50 40 IIGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC3=C2C(=O)CCC3)cc1 20347495 SWEJXQVJDBNCNQ-DEOSSOPVSA-N 443.572 4.474 50 40 IIGB O=S1(=O)N=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21 98008921 WGBRTYYWJLTEIQ-UHFFFAOYSA-N 442.480 4.313 50 40 IIGB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c(C)c1 408606827 QTLOOSPUABEALV-HXUWFJFHSA-N 431.521 4.027 50 40 IIGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408961432 SUUAWNRVBHVRLV-MXAYSNPKSA-N 438.867 4.146 50 40 IIGB CC(C)(C)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 409156642 TVGXGUKWZNNTMR-ANDSAHIGSA-N 442.357 4.250 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409252832 UDWCUVRSWOTISD-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccco1 409367650 CLRDHHVTXVAESE-SRZZPIQSSA-N 444.241 4.293 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccccc1Cl 9288165 SZBNGHQULZJIPG-AFUMVMLFSA-N 438.867 4.427 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)n1 19323058 VDMNIUYCECMFSD-UFFVCSGVSA-N 445.342 4.358 50 40 IIGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc(I)cc1 20248228 VPACWFRSCRMNPB-ZXOFLVKFSA-N 438.334 4.453 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCC(=O)O 35104224 FMDPNVKHJWFRLP-MFOYZWKCSA-N 440.883 4.395 50 40 IIGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1 38683192 IDPSJKINOCATEZ-QHCPKHFHSA-N 440.455 4.219 50 40 IIGB C[C@]1(CBr)CSc2n(-c3ccccc3)c(=O)c3c4c(sc3[n+]21)CCCC4 54362761 ZPFQMPJROCLTCM-FQEVSTJZSA-N 448.431 4.434 50 40 IIGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408725290 KJTRDCOYZGDXBT-ZROIWOOFSA-N 431.286 4.498 50 40 IIGB Cc1ccc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 408998371 UJGZRFUPXDWLQU-OEAKJJBVSA-N 426.542 4.277 50 40 IIGB COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 409117808 NFXDHONLFTWDKH-DNTJNYDQSA-N 428.297 4.294 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21 12402235 LHQGPGKZVDHFJV-VWLOTQADSA-N 446.457 4.012 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Cl)cc1OC 59333444 LJLKOSZOZPNTGP-AQTBWJFISA-N 425.916 4.003 50 40 IIGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(N5CCOCC5)cc4)nc(O)c23)C1 96669417 WTWLULRLVQYKLY-WIZMWCRPSA-N 432.549 4.422 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccccc2Cl)cc1 408777252 XIYDKAMVXGOMBZ-UHFFFAOYSA-N 433.961 4.280 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)O 408790684 QVIDJYNUQCYTLR-LZYBPNLTSA-N 428.872 4.365 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409008098 TVRMJFVKCXJENC-MYYYXRDXSA-N 432.480 4.177 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1OCc1cccc(Cl)c1 409366562 WEACDKKMVACWOP-YSMPRRRNSA-N 436.895 4.383 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)cc1 1096307 PFORRRFVDOGIJQ-WSDLNYQXSA-N 427.254 4.260 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc(F)cc1 1212874 COKDVKFQMWCWSL-RWPZCVJISA-N 449.482 4.314 50 40 IIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccccc1 33342406 JOACQOWWWVDYMH-QFEZKATASA-N 448.939 4.225 50 40 IIGB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OC(=O)c1c(C)nn(Cc2ccccc2)c1C 96021767 JOBBFRSAXMPJIY-UHFFFAOYSA-N 442.519 4.407 50 40 IIGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Cl)c2)N2C(=N1)SC(C#N)=C2N 408604008 IANMJPOVIAKHKS-QGZVFWFLSA-N 432.933 4.077 50 40 IIGB C[C@H]1CCCC[C@H]1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408707159 HIQVOZZZTPQNAC-QMTMWOCYSA-N 430.911 4.368 50 40 IIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC)c2ccccc12 408909126 GLQHJDXIABCKFP-KDPMPHTCSA-N 433.508 4.046 50 40 IIGB CCc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccccc2)cc1 409028123 HNSOJFCTVUYLNC-HAVVHWLPSA-N 441.578 4.046 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc(C)cc(O)n3)c([N+](=O)[O-])c2)cc1 409098219 OTAPHEILHMJYIK-MHWRWJLKSA-N 447.476 4.404 50 40 IIGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409352936 FQQHWHQCPFQKCS-SSDVNMTOSA-N 443.257 4.180 50 40 IIGB C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 954726 UKIHNNRFMOETMN-CCOKCROXSA-N 449.363 4.040 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(C)n1CC(C)C 12641714 DNKFEAUXSAANAD-VXLYETTFSA-N 443.507 4.053 50 40 IIGB Cc1cc(C)cc(-n2ccnc2SCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c1 26046017 JYPHMOMISCWHMU-UHFFFAOYSA-N 429.549 4.472 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 59334643 KTMMEQGDRFVFJU-PXNMLYILSA-N 429.860 4.221 50 40 IIGB O=C(OC(CCl)CCl)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nc2ccccc2s1 102815788 AEOWODMAAPJXJN-QMMBQJITSA-N 425.337 4.063 50 40 IIGB COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)c1 408894107 JBLUQRJLHDCKDR-OPEKNORGSA-N 448.470 4.915 50 40 IIGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)OCO3 409104579 FWWJXFSTTNQQFG-HSZRJFAPSA-N 443.415 4.121 50 40 IIGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 409137713 YNNAHJAPSIYRCR-DEOSSOPVSA-N 429.520 4.394 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1 409249872 IYCOAEWTFHKADF-QQXSKIMKSA-N 431.492 4.175 50 40 IIGB COc1ccccc1NC(=O)N/N=C\c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409374846 AJLGOWSJXYSPAS-YSMPRRRNSA-N 446.507 4.485 50 40 IIGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1c(O)ccc2ccccc12 3025090 IFABKTDDQONXDM-LSHDLFTRSA-N 433.689 4.490 50 40 IIGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 33382211 UBYRSRAVXZMZJK-OEAKJJBVSA-N 433.493 4.430 50 40 IIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC 408912276 PRPLSWAXVUEYLJ-UBCTUXONSA-N 447.535 4.436 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C 409195481 VMVYUOXGGGCGIJ-FSJBWODESA-N 426.860 4.428 50 40 IIGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Br 409335718 XDONLRMXTRMKHX-XKZIYDEJSA-N 433.302 4.185 50 40 IIGB O=C(O)/C=C/C(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@H]2Br 1602353 BOHCVBKSPQRENQ-FUTAKVPZSA-N 437.087 4.493 50 40 IIGB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 9581441 KANINFNBLPIKRD-RGTCPLQGSA-N 426.266 4.096 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-] 11613914 BIGZHCVIPVFGAB-VXLYETTFSA-N 437.237 4.087 50 40 IIGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C=C/c2ccccc2)cc1 13305557 GROMEFXHIFWHKP-CRUJWRTHSA-N 438.531 4.339 50 40 IIGB Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@@]2(C(=O)N(C)c3ccccc32)C2=C1CCCC2=O 13567731 XIXAWZYSTJPCKI-RUZDIDTESA-N 444.922 4.084 50 40 IIGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 408736353 BAJUUXRAPGFKLV-MRAZWZEMSA-N 431.511 4.249 50 40 IIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(F)c1 408965089 GDEHRGQUQUIHFX-WYMPLXKRSA-N 449.354 4.070 50 40 IIGB Cc1c(Cl)cccc1-c1ccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)o1 408976487 RNZYGTRULCVHIK-NPSPNJCMSA-N 435.911 4.375 50 40 IIGB Cc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 2220115 VGIRAEOXFPFVJY-CVKSISIWSA-N 442.544 4.245 50 40 IIGB CCO[C@H](CCl)[S@@](=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1[N+](=O)[O-] 6233836 PXEYAOOAMLKHOZ-MRDQGFSESA-N 430.935 4.054 50 40 IIGB COc1ccc(OC)c([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)c1 12276042 ZABQWNSAWBCAIL-ZHRRBRCNSA-N 442.924 4.000 50 40 IIGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccccc1O 100953420 YOEAFDPUZOYVGE-MOSHPQCFSA-N 430.580 4.169 50 40 IIGB O=C1[C@H]2[C@H](C(=O)N1c1ccc3ccccc3c1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 101509752 WKKXVOBOSZBQMM-KPLDXPABSA-N 449.142 4.122 50 40 IIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccn2)cc1Br 408737517 CHPLMXLIQATKHI-DHRITJCHSA-N 435.281 4.059 50 40 IIGB C#CCOc1cc(Br)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408852112 IJHPGYPXNQSOCP-QRVIBDJDSA-N 441.281 4.370 50 40 IIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cc(Br)ccc3OC)c2c1 409014733 YHWCPYLWQMHIHS-FSJBWODESA-N 443.297 4.392 50 40 IIGB O=C(N/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 1501048 UECYOJKFWPLXRQ-VYIQYICTSA-N 425.404 4.130 50 40 IIGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1 2196377 ONJQVFMMBXRZBN-HXUWFJFHSA-N 435.549 4.486 50 40 IIGB N#CC1=C(N)n2c(nc3ccccc32)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 9716423 MQDNTWMWNMMKSR-YADHBBJMSA-N 435.443 4.359 50 40 IIGB CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1OC 57666335 ZCRUFPCMDVSJNF-SRZZPIQSSA-N 425.710 4.203 50 40 IIGB CSc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1 408604988 KEZLIVJJXHINFG-IBGZPJMESA-N 433.562 4.432 50 40 IIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CCC2 13567709 INJLLOSOUCTIIO-XMMPIXPASA-N 430.895 4.060 50 40 IIGB O=C(O)/C=C\C(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@H]2Br 17163911 BOHCVBKSPQRENQ-KEGWNNHHSA-N 437.087 4.493 50 40 IIGB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)c1 252480173 BXIIHPUISHNPIR-CPNJWEJPSA-N 444.443 4.374 50 40 IIGB Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccccc2)c1 408707846 MDUXVPUWVXAHHI-JFLMPSFJSA-N 434.927 4.467 50 40 IIGB O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-] 409220012 SQPXCQKYWCPZPH-ZIDYXTJZSA-N 439.811 4.224 50 40 IIGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 409231681 FJQYLCUNKNYMCY-VYYCAZPPSA-N 429.451 4.220 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)ccc1Cl 409361126 QGTWBJBRSLPQBG-OPEKNORGSA-N 429.835 4.088 50 40 IIGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)o1 409393378 QQSJIBZYUOQKQR-LGMDPLHJSA-N 431.492 4.425 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccc(Cl)c(C)c2)o1 649236 CISGMZQYAWLMHP-HXUWFJFHSA-N 428.872 4.465 50 40 IIGB Cc1c(Br)cc(NCC(=O)N/N=C/c2ccc(F)cc2)cc1Br 1054716 IBLFYMGFOFUYIT-ODCIPOBUSA-N 443.114 4.221 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c(OC)c1 33756750 KVCROKSSIQLEEB-AFUMVMLFSA-N 430.464 4.222 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1C(F)(F)F 58912900 QCHFVIFMCBMEKV-KKMKTNMSSA-N 446.404 4.341 50 40 IIGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(Br)c1 98087092 NQUZDTFSHDFTDG-ZMOGYAJESA-N 434.293 4.068 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCC#N 408796791 PYGZSDVLJCMSRN-OQLLNIDSSA-N 426.270 4.214 50 40 IIGB COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3cccc(Br)c3)c2c1 409019743 KKDXFNXBOZTSNJ-FMCGGJTJSA-N 443.297 4.149 50 40 IIGB COc1ccc([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c(OC)c1 2200966 ZDFHHHKIWFHEDV-MRXNPFEDSA-N 425.485 4.062 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(Cl)c2)cc1 8843042 QROMWRJUVGDZGI-OEAKJJBVSA-N 428.897 4.180 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1O 13844074 AYNZFRZICLBJAU-DJKKODMXSA-N 442.107 4.080 50 40 IIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C 58913792 COHYIZZHCUTPBG-CVKSISIWSA-N 432.524 4.198 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 59334649 UCJCLRIVDLOAHC-MFOYZWKCSA-N 428.872 4.011 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1O 59474915 RWQMIUHFCZBUCF-AUWJEWJLSA-N 448.260 4.168 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1OCc1ccc(F)cc1 408607533 DNKJNXZOHJVVNB-MZJWZYIUSA-N 449.482 4.119 50 40 IIGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc(OCc2ccccc2)cc1 408799384 YWIIDMBKCUZVRE-XSFVSMFZSA-N 428.444 4.275 50 40 IIGB O=C(CNC(=O)OCc1ccccc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 408810874 JYOLBGUQHKQHHW-RWPZCVJISA-N 440.503 4.066 50 40 IIGB O=C(NNC(=O)c1cccc(I)c1)c1ccc(-c2ccccc2)cc1 704913 MDOGZOSWZWVOAL-UHFFFAOYSA-N 442.256 4.033 50 40 IIGB C/C(=N\NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(C2CCCCC2)cc1 5417222 CERMYTWCMOYWHQ-KOEQRZSOSA-N 426.586 4.110 50 40 IIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(Cl)c4)CC(=O)N32)cc1OC 12276173 AKYRLLTVFLASGW-AOMKIAJQSA-N 442.924 4.000 50 40 IIGB C/C(=N\NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(N2CCOCC2)cc1 12620295 BCFMCUWUQWPTGT-MTDXEUNCSA-N 440.503 4.485 50 40 IIGB Cc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)cc1Cl 19951936 KWAWVFNQBPORMC-UHFFFAOYSA-N 433.961 4.280 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)OC)cc3)o2)cc1 408797931 TZSZUKHBKGWEIH-XMHGGMMESA-N 444.443 4.456 50 40 IIGB Cc1ccccc1CSCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 408993548 WCSNVXDSKJMEPZ-OEAKJJBVSA-N 426.542 4.277 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1cccc(Cl)c1 409092164 VYWIYSBUPYXXET-VULFUBBASA-N 433.851 4.203 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 9144905 LDGWJPUYOQCRJV-GOSISDBHSA-N 428.883 4.442 50 40 IIGB COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C(C#N)=C/c3ccccc3)ccc2C)cc1 9580845 VYDQKVQMIVYELG-XMHGGMMESA-N 447.516 4.350 50 40 IIGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 20059201 SJNAZTSNOVLYBE-LHLOQNFPSA-N 449.576 4.391 50 40 IIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 33721367 UDLQUAVATCFIGF-NHDPSOOVSA-N 428.788 4.109 50 40 IIGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2)cc1 34792488 VFRMRJQHWLOJMM-AQTBWJFISA-N 443.415 4.368 50 40 IIGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)[C@@H](C(=O)c1ccccc1)c1ccccc1 100056148 HAQLBZWYKGCOKC-PXMCARDJSA-N 449.304 4.135 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 935180 AEXIEWQJCNIJRC-IMGOXIFKSA-N 432.332 4.166 50 40 IIGB N#C/C(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)=C1\Nc2ccccc2S1 3216735 GFDPCCRLSBGSOX-KQWNVCNZSA-N 444.493 4.199 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 8780928 UUDPGMOLGWKHFP-QPEQYQDCSA-N 435.263 4.401 50 40 IIGB O=C(N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21)c1ccccc1 40138849 IPGGFMIRLSNWHQ-FVDSYPCUSA-N 435.483 4.400 50 40 IIGB Cc1ccsc1/C=N/NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 58918479 KEOQBKQYIQJSHE-LPYMAVHISA-N 447.969 4.056 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc(Br)ccc1O 408726348 NESDJGWXJBFOSH-KEBDBYFISA-N 430.214 4.087 50 40 IIGB COCCNC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 408813943 GCJRVYFKBYDJRU-CXUHLZMHSA-N 435.307 4.251 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2OC)o1 409180616 YCMUTQFAKHDSGR-SSDVNMTOSA-N 429.816 4.289 50 40 IIGB Cc1ccc(S(=O)(=O)SC/C=C/CSS(=O)(=O)c2ccc(C)cc2)cc1 1617552 MMBKGPMCUOXQRM-ONEGZZNKSA-N 428.622 4.404 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCOCC2)cc1 13126937 QBXCNBSZLOXQSQ-SILNSSARSA-N 428.492 4.016 50 40 IIGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 16137038 RPYLFGNUJUJMMM-ZVHZXABRSA-N 426.473 4.035 50 40 IIGB COc1ccc(OCCCC(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)cc1 31657550 HJQUMJKSKXOURP-UHFFFAOYSA-N 436.892 4.323 50 40 IIGB COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc4[nH]ccc4c3)C3=C2CCCC3=O)c(OC)c1 31817762 CPXGWNSXEWKOFB-DEOSSOPVSA-N 440.503 4.490 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1O 33675190 RXSIFTLFGGBPMY-KEBDBYFISA-N 430.214 4.087 50 40 IIGB CC1(C)CC(=NNC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)CC(C)(C)N1 36611210 RZTWXTWGTZMMNI-UHFFFAOYSA-N 441.425 4.441 50 40 IIGB CCOc1ccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)cc1 59459342 NOKSBQFOIDRWTO-YDZHTSKRSA-N 431.330 4.256 50 40 IIGB COc1ccc(Br)cc1/C=N/NC(=O)CSCc1cccc(Cl)c1 59473784 NREVHAXYZPHYTN-AWQFTUOYSA-N 427.751 4.495 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)o1 408971232 HPQFYUAMUCHYDN-FSJBWODESA-N 435.392 4.382 50 40 IIGB C#CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 409200583 IPGUFOFCAOQCOI-SRZZPIQSSA-N 437.746 4.357 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccccn2)c1C 409244254 AEIUYGTWADHELY-FSJBWODESA-N 427.302 4.024 50 40 IIGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1 12629435 PKQWLGLKBNQLPE-TURZUDJPSA-N 429.520 4.026 50 40 IIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCC3)c(Oc3ccccc3Cl)nc12 13769691 OGMCBVJICSDKHB-DTQAZKPQSA-N 448.910 4.414 50 40 IIGB CCN1C=C(Cc2ccc(OC)cc2)C2=C(C1)[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 19827694 LSLYBGCMZYXURD-XMMPIXPASA-N 429.520 4.228 50 40 IIGB COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1OC 33697043 IHERGFGOTQGVHK-LELXDKESSA-N 430.508 4.495 50 40 IIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c1 33734267 VJWFLUHPFCDALT-LPYMAVHISA-N 426.498 4.428 50 40 IIGB COc1cccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1OC 408780255 WEGVHOWFYGUAKW-JVWAILMASA-N 429.520 4.026 50 40 IIGB O=C(N/N=C\c1ccc(F)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 29763380 KPLUVFCENSWMCC-KJJARBMXSA-N 438.299 4.472 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 59224828 YEMOWGDKZOOSEC-RGVLZGJSSA-N 430.435 4.357 50 40 IIGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1c(C)cccc1C 408707767 LTHYNUYDEUSRDP-GIEPYWIESA-N 445.361 4.174 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)n1 409228489 ARBYVPLHRKBQPL-ZMFRSBBQSA-N 447.539 4.478 50 40 IIGB CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 409322425 XAIKYNJHQPKDKO-OAHLLOKOSA-N 435.977 4.069 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])sc2c1CCCC2 3245127 URBQZNCOEFZWNK-SDNWHVSQSA-N 425.466 4.257 50 40 IIGB CCCNC(=O)NN(C(=O)Nc1ccc(C)cc1)c1nc(-c2cccc(O)c2)cs1 8754580 GUVSENTZSINHEH-UHFFFAOYSA-N 425.514 4.487 50 40 IIGB CC(C)c1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 9281351 RPQGIDCJJWUXEE-DEOSSOPVSA-N 445.910 4.106 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 9934810 SIRBLAFKZOZRGR-LQKURTRISA-N 445.519 4.484 50 40 IIGB O=C(CCSc1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 20248801 AXFPILHUHGJZGN-UHFFFAOYSA-N 438.734 4.057 50 40 IIGB COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC#N)cc3[C@@H]3C=CC[C@@H]32)c1OC 36080555 ZDJIBEOSNKEZQL-APCYGYPKSA-N 430.508 4.284 50 40 IIGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 207155527 PHXHUVPROICQCN-SXGWCWSVSA-N 445.313 4.088 50 40 IIGB C[C@]1(CC(=O)Nc2ccccc2)C=C(CC(=O)Nc2ccccc2)C(C#N)=C(N)[C@@]1(C)C#N 226762793 NBNYXCXQUYAOLD-CLJLJLNGSA-N 439.519 4.257 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccn1 408739993 HKGLGTGPNXCODW-WYMPLXKRSA-N 428.261 4.326 50 40 IIGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 409236715 GTPANXVLKJLESL-MUXKCCDJSA-N 446.457 4.251 50 40 IIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 409242823 PFNQMBFZPVPFTQ-ZMFRSBBQSA-N 440.858 4.449 50 40 IIGB Cc1cccc(NCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 3085742 YUKDJKFDRUHPLW-ZMOGYAJESA-N 449.423 4.166 50 40 IIGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)c1ccccc1 8843154 GUCVDRQIVUCQGU-BUVRLJJBSA-N 441.940 4.070 50 40 IIGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccccc1 16157603 UKDAWABWJPJDPB-UHFFFAOYSA-N 433.961 4.280 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)C(C)(C)C 19949161 LTZLTVOUSOTACY-XQNSMLJCSA-N 435.977 4.382 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC)cc1 408609368 ZVXZCZDXAJEIJU-NRFANRHFSA-N 446.532 4.171 50 40 IIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)c1 408788190 IXDHERFIEVMTAI-OVCLIPMQSA-N 429.270 4.075 50 40 IIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 408908841 SLBBLGNIRJBBNQ-BYEYKRMRSA-N 445.519 4.073 50 40 IIGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1O 409362769 KCJGVYGDEUERQF-ACAGNQJTSA-N 435.217 4.188 50 40 IIGB C[C@H](Br)[C@@H](OC(=O)c1ccco1)c1cc2c(cc1Br)OCO2 1628439 PHSNVJRXZFHDSP-RMLUDKJBSA-N 432.064 4.452 50 40 IIGB O=C(NNC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(Br)cc1 3358950 CGPCQWLFHSYWQM-UHFFFAOYSA-N 425.282 4.103 50 40 IIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c1C 8811068 YGIPWKMKPMVPLI-CVKSISIWSA-N 449.507 4.052 50 40 IIGB N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 12465864 YKJYEZBLLVFZOW-VLBGROSNSA-N 447.491 4.161 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1cccs1 59372537 IGPYDBIIXHHVDG-PTGBLXJZSA-N 441.578 4.101 50 40 IIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)c1 108128372 GHYJXTUXPZTJFN-JAIQZWGSSA-N 443.459 4.125 50 40 IIGB N#CSCC(=O)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1 226327822 DWPVYXPFFHHWGG-UHFFFAOYSA-N 435.246 4.252 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCCC2)cc1F 408570442 VEDARVSGATYILJ-ZVHZXABRSA-N 445.585 4.434 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 408826290 CXYUZFBNBSCLDD-KEBDBYFISA-N 426.767 4.411 50 40 IIGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408905340 XNIHPQWZQVQFFX-JJFYIABZSA-N 429.816 4.332 50 40 IIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)c1 408969828 VGTLPGRLFGWFRK-MZJWZYIUSA-N 436.943 4.131 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c(O)c1 409391379 JAGCZEGSTIJUDK-WYMPLXKRSA-N 427.888 4.234 50 40 IIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1nc2ccccc2c(=O)[nH]1 9187416 QJACMJWCLIGVFG-SFQUDFHCSA-N 449.470 4.451 50 40 IIGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CO2 9301593 MKYCWMJPNVJJQQ-WGBQGACBSA-N 449.463 4.442 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 18173271 ZSVZVVIBZNANTC-AUEPDCJTSA-N 433.247 4.481 50 40 IIGB CCN(C(C)=O)c1nc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cs1 58442140 WPGFBVFFZPBANJ-NTUHNPAUSA-N 430.338 4.161 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 408791366 WSEPGXCMUDWZQN-FOWTUZBSSA-N 431.404 4.496 50 40 IIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 408892599 CETKZFLZRNGXBH-JLHYYAGUSA-N 434.364 4.317 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 9543222 RRMFHSMNZZQZIX-IBGZPJMESA-N 439.302 4.125 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)cc1 14408773 UUNWIXFDCLEMLB-KEBDBYFISA-N 440.135 4.221 50 40 IIGB COc1ccc(CNC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 24990245 GOZVMBGNOFJMII-UHFFFAOYSA-N 440.503 4.363 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408733837 AXFNPOQXQNBUIX-MHWRWJLKSA-N 428.872 4.145 50 40 IIGB CCc1ccccc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1 408772683 QJPKNEVLNVVYNA-HKOYGPOVSA-N 429.586 4.291 50 40 IIGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408862256 GMRXCIZASVQEOP-TVYAFPLLSA-N 449.894 4.273 50 40 IIGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1ccc(C(=O)O)cc1 408895604 LPLLFUSHRGCGKO-WOJGMQOQSA-N 430.391 4.289 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 409141939 KHPFYQVFXPLWKP-XMMPIXPASA-N 429.520 4.313 50 40 IIGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(SC)cc3)CC(=O)N2)c1 409317504 UPSJGXHYRBPEDT-SFHVURJKSA-N 439.562 4.128 50 40 IIGB Cc1ccc(-c2nc(P(=O)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)cc1 8386355 APJRCYYMTABKQQ-UHFFFAOYSA-N 444.471 4.126 50 40 IIGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)o1 8995438 CTNJASYKHPHIOR-AWEZNQCLSA-N 446.326 4.061 50 40 IIGB CCn1c(C)c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21 10118475 QDUWQDJEGXVRFO-CIAFOILYSA-N 431.277 4.338 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 13571745 HZTZWGAFHFJGBK-FOKLQQMPSA-N 426.816 4.208 50 40 IIGB Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1 16100327 LDBMPVJFDMEGFK-UHFFFAOYSA-N 442.349 4.049 50 40 IIGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(OC)c(OC)c4)cc3C2)cc1 408734209 CUAUXXVMPPMEMG-JFLMPSFJSA-N 445.519 4.387 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1 408799565 ZTPXRTZVKUYYGJ-OQLLNIDSSA-N 429.270 4.021 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)o2)c(C)c1 408828094 VRTFTTXIHFHSIY-UYRXBGFRSA-N 430.460 4.274 50 40 IIGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12137604 RQJDPOZYFSYBAP-JOCHJYFZSA-N 437.540 4.132 50 40 IIGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)O)=C(C#N)[C@H]2c1ccc(Br)cc1 20813604 HTRIYXWEWDJQMO-QGZVFWFLSA-N 447.354 4.332 50 40 IIGB C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)CCC(=O)O)cc1 32578353 HRMVHKFQTVXYAF-PKAZHMFMSA-N 429.476 4.311 50 40 IIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1I 33366129 PIFLXFSPPWGAAU-UVTDQMKNSA-N 448.260 4.244 50 40 IIGB O=C(NNc1ccccc1OCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408607785 OICYRHWPUUVGOH-GOSISDBHSA-N 435.911 4.415 50 40 IIGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OC 408766820 SIGWOQUPIGCGCI-AUEPDCJTSA-N 445.235 4.178 50 40 IIGB N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)N1CCN(c2ccccc2)CC1 408856134 JDDHIKXWEYSVJI-GDNBJRDFSA-N 446.732 4.064 50 40 IIGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC 408867896 MKNSQFQPVUPREP-RQZCQDPDSA-N 442.899 4.154 50 40 IIGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 409000461 YHQRAWGUPIYHSK-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 409006235 IFMKUUIHLWZSOJ-MUFRIFMGSA-N 446.466 4.437 50 40 IIGB CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(OC)cc2)/C(=C/c2ccc(OC)cc2)C1 19798450 FAOUZQKNVGCJQQ-MFGYPMPUSA-N 429.520 4.185 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1C 100988826 HFQJEQXDQZMZLS-SBGXLDQMSA-N 446.359 4.474 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2ccccc2C)ccc1OCc1cccc(C(=O)O)c1 108046650 YXVWMFZNUMXHNB-QFEZKATASA-N 433.464 4.436 50 40 IIGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 408996534 IOXUEZGWIBPTTC-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB Cc1ccsc1/C=N/NC(=O)COc1ccc(Br)cc1Br 673693 AQZFXLSEMZOHQK-REZTVBANSA-N 432.137 4.111 50 40 IIGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 1154606 BZKNPUIPWQCLJR-SCIJIFGBSA-N 443.528 4.331 50 40 IIGB COc1cc(SC)ccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2622695 QGCOPGGVFDPWOO-UHFFFAOYSA-N 443.352 4.344 50 40 IIGB O=C(N/N=C/c1ccccc1F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3214251 UFIGWYMYMCDCPU-YDZHTSKRSA-N 431.876 4.044 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2c(F)cccc2Cl)[C@H]2CN(Cc3ccccc3)CC=C12 8411532 KKOWHDSONFZAPL-WMZHIEFXSA-N 443.913 4.405 50 40 IIGB Cc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 20231986 RRRVDQHEMBMHEB-UHFFFAOYSA-N 431.533 4.156 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)o1 33661855 NMMCTKCXNKDRDU-GDNBJRDFSA-N 436.395 4.250 50 40 IIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C 408942721 RFFSQGMMYLHUTD-VULFUBBASA-N 432.524 4.117 50 40 IIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)COc2cccc3cccnc23)o1 408962197 XEVZXUMOIVRVJZ-LGJNPRDNSA-N 429.432 4.031 50 40 IIGB CC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 409009326 DGUAPPFAXLTKRT-DJKKODMXSA-N 426.108 4.261 50 40 IIGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Sc1ncccn1 409115129 KJLWEWIFZTYEMR-RVDMUPIBSA-N 433.449 4.090 50 40 IIGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)CC2=O)cc1 409170031 SONFITMGORSZTK-TYNJROEQSA-N 441.531 4.331 50 40 IIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)cc(C)c2nc1Cl 786874 ZTRMPNZJTPYCAN-INIZCTEOSA-N 432.307 4.369 50 40 IIGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 1097466 DEDIZEYGDJEFPC-OEAKJJBVSA-N 435.578 4.395 50 40 IIGB O=C(N/N=C/c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1)NC1CCCCC1 4207660 ZNFBGELEQIXDIA-XQNSMLJCSA-N 426.473 4.018 50 40 IIGB COC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 9509021 GJLUMKYUQACDFH-ZNBBLSJYSA-N 429.314 4.086 50 40 IIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccc(Br)cc1 12629519 RYQNBVKBXCTRHJ-ZVHZXABRSA-N 428.330 4.462 50 40 IIGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 15018728 DNSJSGDNQICWDW-JJFYIABZSA-N 427.800 4.059 50 40 IIGB Cc1cccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(N)=O)c1 33901154 HZAKGCXFOADDSE-PNWWAVQQSA-N 432.332 4.213 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38658297 IWAGMVDHYJSJNW-HSZRJFAPSA-N 428.444 4.141 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C)cc1 59334321 NWHDJTUYJWGYOH-MFOYZWKCSA-N 429.314 4.340 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1Nc1ccccc1C 408708014 NFXOIEFIVYKQIR-AFUMVMLFSA-N 436.899 4.489 50 40 IIGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1 409148120 XIHPTQBGKJKQIJ-CYBMUJFWSA-N 446.326 4.061 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(O)c1 409391674 KOLWPFIKQAXQOV-DHRITJCHSA-N 440.883 4.406 50 40 IIGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Cn1cc(Cl)cn1 695422 QOKLTLZGFIWQBD-LSFURLLWSA-N 447.720 4.120 50 40 IIGB Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c12 12740096 ZAWGBALUBJJGCA-UHFFFAOYSA-N 445.342 4.023 50 40 IIGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 20240364 XNVRNFSVCZAVMX-VFCFBJKWSA-N 442.563 4.171 50 40 IIGB COc1ccc(NC(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 408817324 LGUXQVFLFMZXEF-QFEZKATASA-N 449.463 4.137 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC#N 408820348 XAXUXVPYOWYBHR-ZROIWOOFSA-N 444.260 4.435 50 40 IIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(C)c(C)c1 408885121 WUTAODRKOVIUIX-CAOOACKPSA-N 429.314 4.436 50 40 IIGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)c1 409040666 HKEIMNVRXSBERY-PXLXIMEGSA-N 425.488 4.236 50 40 IIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)O 409044077 ASYYTIIMLBMOQB-NTUHNPAUSA-N 442.269 4.252 50 40 IIGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1O 409216723 KRVSPJLMMVVPFJ-AWQFTUOYSA-N 443.750 4.449 50 40 IIGB Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 409259813 FXJXLXYGEQBNFY-MZJWZYIUSA-N 425.488 4.420 50 40 IIGB COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2n1 2767422 LOIGRNKVHVAFCC-VULFUBBASA-N 425.444 4.403 50 40 IIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(CSc2nncn2C)cc1 3304288 JIYZMOWOKPNGHJ-ZMOGYAJESA-N 431.521 4.033 50 40 IIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCCOc2ccc(Cl)c(C)c2)c1 3333403 OAAINQTYJKFMNM-UHFFFAOYSA-N 432.948 4.466 50 40 IIGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 3385000 RHETVRFFCYIAJA-LUOAPIJWSA-N 449.864 4.474 50 40 IIGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(CSc2ccccn2)c1 8691103 GXCLZQFJPFRDEH-QFIPXVFZSA-N 449.532 4.193 50 40 IIGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1nnc(C(F)(F)F)s1 8722661 PBLJVZYROPZANT-JXMROGBWSA-N 435.343 4.271 50 40 IIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 13810463 MXZLTOJEDLZTDA-CAPFRKAQSA-N 430.508 4.209 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(C)cc2C)cc1 16309511 CQNHLRSTHTYUNS-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 20086075 OJMSNJPDMMYDOH-HSZRJFAPSA-N 435.483 4.336 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c([N+](=O)[O-])cc1OC 23215025 XDCKYUFTJCUKHT-KPKJPENVSA-N 435.408 4.472 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 33540413 JHELYBYAAKWXMJ-VULFUBBASA-N 438.455 4.194 50 40 IIGB C[Sn](Br)(Br)CCCCBr 195778037 XHFTYWYREOISMF-UHFFFAOYSA-L 429.566 4.023 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(SC)cc1 408602315 BQPPPJMEUHGGTD-HXUWFJFHSA-N 448.573 4.494 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OC 408751950 DZFXHHZBXDFXAX-LPYMAVHISA-N 428.286 4.021 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccccc1C#N 408809520 HSDHNCUOWCYTQL-BUVRLJJBSA-N 437.499 4.412 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC#N 408850443 NTXJCGQEPZASRG-FMCGGJTJSA-N 442.269 4.260 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1 408963842 ALOQOLSZUHXVQO-QFEZKATASA-N 433.464 4.436 50 40 IIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409362408 JJAZBQOVJQBQFK-CIAFOILYSA-N 428.242 4.310 50 40 IIGB Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CCC2 1426857 DUPPECXHXKCGTH-DEOSSOPVSA-N 430.895 4.060 50 40 IIGB CC(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/C=C/c1ccccc1 2121876 XPOMMMRJNRNXPE-PFXBRXTQSA-N 429.520 4.175 50 40 IIGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OCC)ccc2nc1Cl 6631216 XNAMDKAYNIWBLI-LJQANCHMSA-N 425.872 4.098 50 40 IIGB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN12 13136150 UWCPMGXQZNUBJV-ZRBLBEILSA-N 436.511 4.481 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38650273 ROJNKKSRIGNWCI-HSZRJFAPSA-N 428.444 4.141 50 40 IIGB Cn1cccc1P(=Nc1ccc(Br)cc1)(c1cccn1C)c1cccn1C 98050538 SCURNBDELGAWIS-UHFFFAOYSA-N 441.313 4.274 50 40 IIGB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 102644504 IEWLNNMMMZIYEQ-KFOHHENISA-N 442.309 4.297 50 40 IIGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(O)cc1 107907927 VVDMWGDEHKEMIQ-GHRIWEEISA-N 431.423 4.094 50 40 IIGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1 409326939 OZCBNZYXZOJVEJ-IBGZPJMESA-N 435.549 4.277 50 40 IIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 9344506 HZMZIBSMJGLNKV-HMMYKYKNSA-N 443.484 4.134 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc(Br)cc1 33301076 KKKWCDKCWDVKEU-VXLYETTFSA-N 426.108 4.374 50 40 IIGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3\C(=O)N(C(C)C)c4ccccc43)cc12 105482140 WAUYIFILUGKTFH-DAFNUICNSA-N 443.532 4.285 50 40 IIGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1 409085229 ZANFNYYCRUPSCF-IMRQLAEWSA-N 429.520 4.028 50 40 IIGB COc1cccc(/C=N\NC(=O)Nc2ccc(C)cc2)c1OCc1ccc(C(=O)O)cc1 409188872 HBTRUUBOHMWHMF-QFEZKATASA-N 433.464 4.436 50 40 IIGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)NCc3ccccc3)c2)cc1 409222482 DEWBIGNIXNGYIH-HMAPJEAMSA-N 425.488 4.236 50 40 IIGB CCOc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccccc2CC)=C1C#N 9324642 CEQWYMMZDTWLME-GOSISDBHSA-N 435.549 4.358 50 40 IIGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3cccs3)c3ccccc32)C1 16038067 PZMPNDUYIXCHDL-WKGZRZITSA-N 436.581 4.087 50 40 IIGB O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 18148719 MYRMSFHWGHYXKC-VULFUBBASA-N 431.883 4.468 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 59386511 CQAJUXMECSGMOU-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1 59419196 MCHILFWYMDTGHR-UFWORHAWSA-N 446.526 4.263 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc2c(c1)OCO2 408543451 RFSNHABOSWPMTL-NVMNQCDNSA-N 429.432 4.067 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccccc1OCc1ccccc1Cl 408724610 AEPQXODRJCUYJQ-RPPGKUMJSA-N 437.883 4.210 50 40 IIGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Br)o2)c1 408998552 BHZIYFLVURNZIJ-WSDLNYQXSA-N 426.270 4.367 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OC 9057334 JMQJARWRUPBMAA-NTUHNPAUSA-N 446.257 4.229 50 40 IIGB N#C/C(=C\c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)NC[C@@H]1CCCO1 9262656 PKDZFVHFLOQGHQ-DZSAKIAFSA-N 437.499 4.493 50 40 IIGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc([N+](=O)[O-])s1 9833749 SMRSAGCPGLDMMG-DJKKODMXSA-N 434.271 4.101 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc(F)cc1 408601495 BCHZZVKCAJYGLX-MZJWZYIUSA-N 449.482 4.119 50 40 IIGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCc2ccccc2)cc1 408609177 ZCPSFSNWCOHPOQ-NRFANRHFSA-N 446.532 4.214 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(OC)c1 408780350 XQZZHPLCDXOJQD-JVWAILMASA-N 429.520 4.026 50 40 IIGB CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 409023152 PXLJVWNSHZMEDY-LHLOQNFPSA-N 449.576 4.293 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 409124784 CNOYUBAXCWKPOJ-QHCPKHFHSA-N 433.483 4.143 50 40 IIGB N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 12465871 YKJYEZBLLVFZOW-KWLPWJRRSA-N 447.491 4.161 50 40 IIGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)O 34888319 JKZYDRUDNTYSSE-NSIKDUERSA-N 447.241 4.284 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl 408744866 HVRPXZRPJPTBRK-QPEQYQDCSA-N 435.263 4.099 50 40 IIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 408792944 MPKSPLMLSHULCT-CXUHLZMHSA-N 443.297 4.163 50 40 IIGB O=C(N/N=C\c1ccccc1OCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O 408918816 PJBGAYLHOSIPLZ-FMCGGJTJSA-N 425.828 4.297 50 40 IIGB Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CCC2 1421948 AWUJBOZJSSIYSD-DEOSSOPVSA-N 448.885 4.199 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1O 1433834 MUPBSSIMBGTECK-WYMPLXKRSA-N 442.313 4.269 50 40 IIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 6014859 JJHNKYUQHKBCLY-RTBURBONSA-N 435.915 4.000 50 40 IIGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(COc4ccccc4)cc3)ccc21 10093360 MJKFBFRZDKUQHA-UHFFFAOYSA-N 428.492 4.018 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 16575759 WELXHRNTNCBPIF-KOEQRZSOSA-N 435.549 4.399 50 40 IIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC 20764885 IRVCIUGWDUVQRS-OEAKJJBVSA-N 445.313 4.022 50 40 IIGB Cc1nc(C(C)(C)C)nc2sc(C(=O)NNC(=O)c3cc4c(s3)CCC4)c(C)c12 22507978 GBIRNKMKOWWSPO-UHFFFAOYSA-N 428.583 4.231 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(C)cc1 59500482 OOMCABODRQTYRH-QQXSKIMKSA-N 432.476 4.385 50 40 IIGB CCC[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 9601377 BBQGKSQJCQEFNM-NAVXVDNBSA-N 449.389 4.360 50 40 IIGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1 9948729 UFVMQOISICQFCJ-COOPMVRXSA-N 447.922 4.137 50 40 IIGB C[C@@H](Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C(=O)NNC(=O)c1ccccc1 12738206 ABDOYFIMTDBWGY-MRXNPFEDSA-N 439.462 4.140 50 40 IIGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1ccc(Br)cc1 33295714 KGAQFLVGSAYXSW-UKWGHVSLSA-N 440.135 4.358 50 40 IIGB Cc1cc(O[C@@H](C)C(=O)NN=Cc2ccc(O)c(Br)c2)cc(C)c1Cl 245242016 WSEGXTFLSHGUEN-LBPRGKRZSA-N 425.710 4.343 50 40 IIGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)O)cc1 408853997 VGPXJMARTSVVST-WGARJPEWSA-N 444.443 4.483 50 40 IIGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1cc2ccccc2cc1O 13371697 PKZMFEAFMWZSIE-UFWORHAWSA-N 438.075 4.427 50 40 IIGB O=C(N/N=C/C=C/c1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 13382098 NPOZLHRIYRCGRL-SJXIOWFPSA-N 439.471 4.002 50 40 IIGB CC[C@H](Nc1ccc(I)cc1C)C(=O)N/N=C(/C)c1ccccc1 15931061 RXNJYUUTYYVGTR-CPEHUTGBSA-N 435.309 4.331 50 40 IIGB Cc1c(Br)cc(/C=N/NC(=O)COc2ccccc2)cc1Br 408531139 NIOAKJUSKCTEKF-DJKKODMXSA-N 426.108 4.049 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)c1C 408677769 UTIMBRGRKMAKMM-WGOQTCKBSA-N 431.492 4.406 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)o2)cc1 408762853 GQILDZAVQKHNSA-ZMOGYAJESA-N 448.504 4.242 50 40 IIGB CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1 409365585 UERVDLGPRNRTFS-JMIUGGIZSA-N 440.135 4.172 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)O 59336291 RJQQTZXERNARDB-JYRVWZFOSA-N 435.263 4.401 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1O 59483957 YCTZQRIWUYEURP-ZSOIEALJSA-N 448.260 4.250 50 40 IIGB O=C(NNc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408604209 HSTPSAVQIOHHMO-QGZVFWFLSA-N 437.446 4.040 50 40 IIGB Cc1cccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)c1 408707380 JRYZWNMBIIQHAA-MZJWZYIUSA-N 438.890 4.298 50 40 IIGB O=C(COc1cccc2cccnc12)N/N=C\c1ccccc1OCc1cccc(F)c1 409024395 XQJLWHNOGDREFJ-MBTHVWNTSA-N 429.451 4.482 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1 107896382 BXHSZIGFVYJVKA-FOKLQQMPSA-N 425.828 4.021 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 108273735 VQHPXCVCZAEEPW-RWPZCVJISA-N 435.487 4.284 50 40 IIGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccc(Cl)cc1Cl 226336537 RXYNFKXVBRYTTE-GORDUTHDSA-N 446.128 4.347 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1F 409125078 BWYYLLQFQDPQIE-QHCPKHFHSA-N 433.483 4.143 50 40 IIGB O=C(N/N=C/c1cccnc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 1415703 TWOZPPUVTCTWGC-OPEKNORGSA-N 442.426 4.174 50 40 IIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 1435218 SQNGRAAZMDSDOB-AFUMVMLFSA-N 436.851 4.094 50 40 IIGB O=C(N/N=C/c1ccc(O)c(O)c1O)c1ccc(CSc2nc3ccccc3o2)cc1 3232941 WGXGHFAXFBIGAB-FOKLQQMPSA-N 435.461 4.001 50 40 IIGB COc1ccc(/C(C)=N\NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc1OC 13647026 AFBRTISMRYHRFM-YSMPRRRNSA-N 444.491 4.410 50 40 IIGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)NCCN1CCCCC1 13801817 AQEMDFREJJQEFM-VKAVYKQESA-N 428.330 4.218 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58911720 BJWNTSGITODHBF-LGJNPRDNSA-N 443.334 4.167 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc(C(=O)O)c1 408826355 GHCBBXIOKWUAEI-WSDLNYQXSA-N 442.471 4.196 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1OCc1ccc(Cl)cc1 409362928 KLUKEGJUABESCC-YSMPRRRNSA-N 436.895 4.383 50 40 IIGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccccc1O 16449229 GTMNUQLAIQWUIQ-JMIUGGIZSA-N 430.214 4.087 50 40 IIGB COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 100175516 JRIBIGDXUCZFAR-JIAVGKAHSA-N 437.496 4.459 50 40 IIGB C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 104365103 FXPTZROAKSNHIY-TZYNXQCKSA-N 429.501 4.265 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccc(C)cc2)cc1 408707178 HUPDMYOBKJRTSL-AFUMVMLFSA-N 436.899 4.489 50 40 IIGB C/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 408957530 UTXVRLSMWIZZML-WVXIBAHESA-N 435.176 4.052 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cccn2-c2cccc(Br)c2)cc1 9264981 BNQOFQDHTPNYMH-SFQUDFHCSA-N 436.309 4.472 50 40 IIGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)C(c1ccccc1)c1ccccc1 18094048 KAXQXFVWRYPVFI-UHFFFAOYSA-N 434.293 4.054 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc(O)c1O 24037879 QYIWXAUAWYTSBJ-WYMPLXKRSA-N 426.856 4.103 50 40 IIGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc2ccccc12 101052828 XIYJDDUHBFUXPS-PYHGIMPFSA-N 437.131 4.266 50 40 IIGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cccc2ccccc12 101052829 XIYJDDUHBFUXPS-BYNSBNAKSA-N 437.131 4.266 50 40 IIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2435767 LASLJMKSBOTGLP-NRFANRHFSA-N 433.895 4.085 50 40 IIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OCc1ccccc1 9289524 UINKCPAFSMMALK-WPWMEQJKSA-N 448.519 4.374 50 40 IIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(=O)OC 408567510 FKRRVLMCUNOASO-MLPAPPSSSA-N 429.835 4.370 50 40 IIGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1 2196374 ONJQVFMMBXRZBN-FQEVSTJZSA-N 435.549 4.486 50 40 IIGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2219565 YKJYEZBLLVFZOW-SSXUBFHHSA-N 447.491 4.161 50 40 IIGB CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 3085214 XDJRIWXZDHHDND-SRZZPIQSSA-N 434.290 4.184 50 40 IIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OC)c2)sc(C)c1C 9335195 UDDHVZHRHPAUNQ-CXUHLZMHSA-N 428.510 4.493 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 58911728 DUCWHXZLHIBKJQ-LGJNPRDNSA-N 443.334 4.167 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 59381849 BGHIEBJRSBGANF-OEAKJJBVSA-N 428.897 4.180 50 40 IIGB Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 408706705 COJDRLVWAIRYIQ-VULFUBBASA-N 444.963 4.082 50 40 IIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1 408802822 HWIFTGVXEHSVDX-NDWLXSOOSA-N 431.536 4.299 50 40 IIGB O=C(CNC(=O)c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408813704 DOFADOMEMAPIDG-CCVNUDIWSA-N 444.922 4.223 50 40 IIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 408905406 YKOCHXSCHKIWML-KSEXSDGBSA-N 433.376 4.372 50 40 IIGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/C=C/c1ccccc1 409014649 NNXGRBDESIOSHJ-IAPVFCFVSA-N 427.932 4.065 50 40 IIGB Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccccc1 13770947 UNTSWNKTSXLHIA-XDJHFCHBSA-N 443.484 4.134 50 40 IIGB O=C1/C(=C\c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1c1ccc(F)cc1 33934547 MVOBAPJAZWVQBS-AQTBWJFISA-N 443.931 4.489 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1ccc(Cl)cc1 40006534 MLYHJCNTNAMCLV-CPNJWEJPSA-N 428.916 4.377 50 40 IIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 57618758 LULNDSBCDGOVCC-FSJBWODESA-N 443.843 4.436 50 40 IIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OCC 408806110 AUFBSYRKTKTART-WSDLNYQXSA-N 435.705 4.277 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409026316 LVNHVEOJSIDAOL-SSDVNMTOSA-N 442.368 4.033 50 40 IIGB CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1I 409238386 ZGNDNFUVBSTDMA-RQNDZEIBSA-N 446.288 4.474 50 40 IIGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1888556 WQSOSKBPEJNSBW-YZYPPFLQSA-N 436.295 4.044 50 40 IIGB C/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1)c1ccc(Br)cc1 20157402 YTRHKGYGDIRXNC-JLPGSUDCSA-N 430.346 4.280 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2Cl)[C@@H]2CN(Cc3ccccc3)CC=C12 34808270 QOSBPNWWJOUHSK-GGAORHGYSA-N 425.923 4.266 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1 59152115 LDLWXLZYICRVLP-OEAKJJBVSA-N 428.897 4.180 50 40 IIGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OC 59418856 YOXKUECLKLFGGO-YDZHTSKRSA-N 427.298 4.312 50 40 IIGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3)n2)c1O 408724025 COEAXSJQCNUBNV-WGOQTCKBSA-N 426.476 4.326 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OC(C)=O 408751723 BUKNAQKDDOZGBG-FSJBWODESA-N 441.281 4.300 50 40 IIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408789200 HNJDXGCRUYQHEK-XNTDXEJSSA-N 441.281 4.111 50 40 IIGB N#C/C(=C\c1ccc(OCCOc2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 409205326 BKBPMCWWPMDTPF-KGENOOAVSA-N 442.471 4.096 50 40 IIGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccccc1NS(=O)(=O)c1cccs1 9631553 RPGPMGHVNHCUBB-UHFFFAOYSA-N 429.567 4.091 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2F)c1Nc1ccccc1C 408706535 AZBDGJJZWRWCLY-LGJNPRDNSA-N 438.434 4.114 50 40 IIGB O=C(N/N=C/c1ccc(I)cc1)c1cc(Cl)cc(Cl)c1O 9948926 ZITVNIGDCNMZLV-CNHKJKLMSA-N 435.048 4.068 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 28218065 LWHWTZFODJZIFS-SRZZPIQSSA-N 448.273 4.003 50 40 IIGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc(C(=O)O)c1 408937455 GPBWWNSDHJEVJJ-WGARJPEWSA-N 444.443 4.483 50 40 IIGB O=C(Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-])c1ccco1 409226581 UUCQTTQWTROFKW-OYKKKHCWSA-N 429.388 4.324 50 40 IIGB N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2401828 FELLFDRNZPNYGX-JQIJEIRASA-N 448.910 4.496 50 40 IIGB Cc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3213818 MPANJHUFOPNCPJ-OEAKJJBVSA-N 427.913 4.213 50 40 IIGB CC(/C=C/c1ccccc1)=N\NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 13757857 FUYSBKJURZKPAN-KBNLXNBLSA-N 425.945 4.433 50 40 IIGB O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 17430297 RMLKBXRDYWVPFP-QFIPXVFZSA-N 435.907 4.046 50 40 IIGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2F)c1)C(=O)Nc1ccc(O)cc1 107678411 SDHJLQIBQKWXCO-SFQUDFHCSA-N 431.423 4.094 50 40 IIGB CC(=O)Oc1c(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408742136 NHEJUDQAAIWAJG-AWNIVKPZSA-N 430.756 4.063 50 40 IIGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 409027609 NLLVCAVHSMSSKM-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)cc1 934867 QVBGGRQXRHQPIO-SWEXZPIWSA-N 432.332 4.213 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 2053928 BPNKMEWCJTXLLY-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(Oc3ccccc3)nc12 2420410 UJEWNDPKPZRRRC-HMMYKYKNSA-N 436.471 4.019 50 40 IIGB COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408718752 FCRXZZWKPOLTLT-PCLIKHOPSA-N 433.464 4.265 50 40 IIGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1 648239 JMQVGAUUCWIKDP-DEOSSOPVSA-N 448.519 4.454 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cn1 1055737 YCEOZSNBBJEZJE-ZMOGYAJESA-N 438.281 4.136 50 40 IIGB COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1O 1454485 BPZPHBVRUQFTOG-PQDFQZGZSA-N 441.709 4.043 50 40 IIGB Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)c2cc3ccccc3oc2=O)=C1C#N 9014054 CSTOTGUJVIQPCA-KRWDZBQOSA-N 430.485 4.056 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1ccccc1OC 9969793 MKVDUJVOVQFSOQ-OVVQPSECSA-N 449.507 4.101 50 40 IIGB O=C(CCl)N[C@@H](NC(=S)Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 26962960 YAGGNPISHVXEFT-ZDUSSCGKSA-N 425.168 4.178 50 40 IIGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1Oc1ccc([N+](=O)[O-])cn1 33337602 BIYCWPZWPCGABO-MSXFZWOLSA-N 432.392 4.301 50 40 IIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 59473025 RUOOONBUIXJNHB-MFKUBSTISA-N 434.517 4.298 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1 408609782 RZCMMGSUKDFRGR-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 408792916 CAFNHSZZNLNUCH-XDJHFCHBSA-N 427.460 4.258 50 40 IIGB CC(=O)N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 409019313 YRXBVUDXCNJSLX-DNTJNYDQSA-N 444.098 4.400 50 40 IIGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc([N+](=O)[O-])c1O 409032904 DTVKCEGIHANMFE-QFEZKATASA-N 442.431 4.288 50 40 IIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccs3)c3ccccc32)c1 9187353 PLQZWTPABJYMMK-UZYVYHOESA-N 426.501 4.429 50 40 IIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)c1C 10315725 MIOLAKUURWJJSV-WPWMEQJKSA-N 447.535 4.362 50 40 IIGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1c[nH]nc1-c1ccccc1 16491847 HLNHJMQWZKGLLI-ZVBGSRNCSA-N 433.693 4.022 50 40 IIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCOC)cc1C 16713681 KMUVTNYFTNFPLO-LTGZKZEYSA-N 442.519 4.082 50 40 IIGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 20059319 BZZKNHGOQBTUNV-NCELDCMTSA-N 435.549 4.250 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)c1Nc1ccccc1C 408707572 KPCVWIRFTUBQCM-CVKSISIWSA-N 430.508 4.453 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408787965 HURKNROHRWMTKX-LZYBPNLTSA-N 428.872 4.063 50 40 IIGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3Cl)c3ccccc32)o1 409394180 WUPPYEBLAAWVNU-BRJLIKDPSA-N 435.867 4.487 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Cl)c2)[C@H]2CN(Cc3ccccc3)CC=C12 19816287 QJMXRAPDUXYPCS-XZOQPEGZSA-N 425.923 4.266 50 40 IIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 28214086 AQSUFCZQDBOPOD-VEMGOHLESA-N 447.560 4.013 50 40 IIGB O=C(N/N=C\c1cc2c(cc1Br)OCO2)C(c1ccccc1)c1ccccc1 59515949 DXYIQNYMAQMJIM-CFRMEGHHSA-N 437.293 4.460 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OC 408785353 YUSCURQCBJTZPL-ZROIWOOFSA-N 430.302 4.078 50 40 IIGB COc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846198 ACRCGQYKBVPKKQ-DEOSSOPVSA-N 435.487 4.348 50 40 IIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)Nc1ccccc1)c1ccccc1 35519840 IDVOYTGNPZRCCS-OSEFQUDUSA-N 425.488 4.488 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OC 408785765 BSFWIYIKAWHJLF-AFPJDJCSSA-N 431.208 4.249 50 40 IIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(I)cc2)o1 3136551 CVGFTRZWUPYTBS-FYJGNVAPSA-N 430.245 4.244 50 40 IIGB Cc1ccc(N(Cc2ccc(C(=O)NN=C3CCCCC3)cc2)S(C)(=O)=O)cc1C 4492323 MZAIKPWIBTWQBI-UHFFFAOYSA-N 427.570 4.320 50 40 IIGB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 9467400 WTBNDUXNSCADKS-UHFFFAOYSA-N 433.556 4.178 50 40 IIGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc4ccccc4n3)cc2)cc1 25390875 ORUXKZUVTWGQIY-JVWAILMASA-N 439.471 4.364 50 40 IIGB Cc1c(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)sc(N)c1C#N 254440031 JNHGVIYYKXAOIM-UHFFFAOYSA-N 429.299 4.297 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccc(F)cc1 408610276 NECDJBZPPLJHDV-JFLMPSFJSA-N 449.482 4.201 50 40 IIGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408791906 FDQVUWZKUAFCNM-MDWZMJQESA-N 449.688 4.200 50 40 IIGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OC(C)C 409250918 OTJSJIVLOQWSAD-LSHDLFTRSA-N 436.965 4.175 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC 713551 PSARPQMRJSVJLH-HSZRJFAPSA-N 445.519 4.326 50 40 IIGB Cc1cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c(C(C)C)cc1Br 1434104 MDDTZWLOPAGBFX-UFWORHAWSA-N 440.319 4.380 50 40 IIGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1OCc1ccc(Cl)cc1 1436851 DXQCPGMINICGER-MFKUBSTISA-N 446.931 4.311 50 40 IIGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 6195033 AZJGSANPDAJKLX-BJKOFHAPSA-N 449.514 4.235 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 8738513 VXKSFOSEXWLHOR-FOKLQQMPSA-N 426.816 4.208 50 40 IIGB N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 9090505 JWXAKGHRVZAKPX-CAPFRKAQSA-N 448.486 4.300 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 59159044 BYDOSANJPWDFED-DHRITJCHSA-N 438.867 4.390 50 40 IIGB O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1CCCCCCBr 67340222 JVKTZAMQVAOFNZ-UHFFFAOYSA-N 445.357 4.228 50 40 IIGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(I)c1 408773651 SNHWQQJKJJXSLU-GIJQJNRQSA-N 443.628 4.007 50 40 IIGB Cc1ccc(NC(=O)Cn2cc(/C=N\NC(=O)Cc3ccc(F)cc3)c3ccccc32)cc1 409239378 NANMFVOYDGLZQP-MBTHVWNTSA-N 442.494 4.420 50 40 IIGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c2ccccc21 13567597 KDJDFNKVYVZYCN-HHHXNRCGSA-N 438.531 4.211 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(F)cc1 59101468 UDGSIFKNOSZSGV-JFLMPSFJSA-N 449.482 4.201 50 40 IIGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccc(I)c1 408770898 AWKBWFAUVDOPJE-CIAFOILYSA-N 430.245 4.304 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC 9390503 UKXINEWNNGLESR-WGOQTCKBSA-N 426.476 4.320 50 40 IIGB CCOc1cc(C(=O)NNC(=O)c2ccc3c4c(cccc24)CC3)cc(OCC)c1OCC 12609299 CSAAHARMTMVRIZ-UHFFFAOYSA-N 448.519 4.209 50 40 IIGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1)c1ccccc1 408787553 BTWVJSLDOIDRBR-NDWLXSOOSA-N 425.488 4.488 50 40 IIGB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 408972911 HPYJMFKMWLTRKJ-UFFVCSGVSA-N 444.787 4.189 50 40 IIGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@H](C)CCC[C@H]3C)=C2C#N)cc1 409328042 YHSUDOBKIBLAKA-RKVPGOIHSA-N 429.611 4.270 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC 59333296 VMEYHCQTGCXEEB-XLNRJJMWSA-N 431.536 4.078 50 40 IIGB Cc1cc(C)cc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1 408708422 PZFZCDPNCJWDOF-WYMPLXKRSA-N 445.361 4.032 50 40 IIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408745549 NSZCQAGQWZAIOE-GDNBJRDFSA-N 441.281 4.024 50 40 IIGB COc1cc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)ccc1I 408747816 UDZJKSMCOQZMTH-UFWORHAWSA-N 449.075 4.371 50 40 IIGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408791096 TYIQGVCJZHPWIL-MHWRWJLKSA-N 428.872 4.470 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)C(C)(C)C 408908769 YPOUPXQDNLRRHP-HZHRSRAPSA-N 435.977 4.458 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1O 408962016 FNTZQNMWEPPWNU-LSFURLLWSA-N 431.208 4.336 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 409169498 RFBYOLMUVYBWON-FZJZADEZSA-N 428.330 4.076 50 40 IIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cn(Cc2ccccc2)c2ccccc12 8818252 YHYFMFAZKIEFDC-AFUMVMLFSA-N 428.448 4.127 50 40 IIGB COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1OC 17096959 IHERGFGOTQGVHK-MLHZQLSASA-N 430.508 4.495 50 40 IIGB CCCCCCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20219028 JOFYXSRBLWRRHM-XUZZJYLKSA-N 445.567 4.009 50 40 IIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1 26966392 ICEDDCKDRSULCZ-CJLVFECKSA-N 436.519 4.158 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccccc2OC)ccc1OCc1ccccc1 57617336 PAPXXZIKJUNFBA-WGOQTCKBSA-N 434.492 4.202 50 40 IIGB COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N\c1ccccc1C(=O)O 100372275 FXNPLWOMAUFHNP-QRVIBDJDSA-N 425.312 4.437 50 40 IIGB COc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Cl)cc3)c2)cc1 409375762 OXOKYWKKLLNVBQ-QFEZKATASA-N 437.883 4.130 50 40 IIGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1 2284313 PJPAMEPHBOLVFI-SCIJIFGBSA-N 431.561 4.434 50 40 IIGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)ccc4OC)CC(=O)N3C2)cc1 9693172 MVQKMTBMEZSDQI-IBGZPJMESA-N 435.549 4.486 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)[C@H]1COc2cc3ccccc3cc2O1 9948584 ZFHVAFNNDCOCCW-YICJJFKUSA-N 446.894 4.277 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc(C)cc1 409120525 WERCVESLKHWYNM-LHLOQNFPSA-N 449.576 4.424 50 40 IIGB CCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2cc(Br)ccc21 409142218 CHTXKWGEJYLLBE-BMRADRMJSA-N 430.689 4.385 50 40 IIGB Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl 805178 XMJJXHHVKPBKQX-UHFFFAOYSA-N 426.687 4.115 50 40 IIGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Br 918919 JMIGKVVTRYTZLD-DNTJNYDQSA-N 432.101 4.294 50 40 IIGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)C1 2423456 WPEGIKVPRLCTMH-WARJNQIWSA-N 430.552 4.025 50 40 IIGB CC/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)c1ccc(O)cc1 9019461 GLKUMDJTQACMGA-PTGBLXJZSA-N 443.960 4.347 50 40 IIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)COc1ccc(Cl)cc1C 12466039 ZWYOFMGOTOTVAK-WGOQTCKBSA-N 427.932 4.427 50 40 IIGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1I 408745882 AOFKENSVBQPSIU-BOPFTXTBSA-N 444.272 4.079 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 408797297 RFEBXKAZCBYGKU-LICLKQGHSA-N 442.899 4.399 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)cc1 408818681 QBJKEGDUXPVZLS-HMAPJEAMSA-N 442.519 4.285 50 40 IIGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408896443 RDZPPYWKZGSEDC-QGOAFFKASA-N 443.415 4.368 50 40 IIGB COc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409008571 YBIZEIRQEOYGFL-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB O=C(N/N=C/c1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 1030696 ZZDKDZBUEDJRCM-ZRWQFTNJSA-N 436.309 4.106 50 40 IIGB Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1cc(Cl)nc(Cl)c1 2570247 JGFGFCPEOLCBOP-UHFFFAOYSA-N 425.659 4.080 50 40 IIGB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NNC(=O)c1ccccc1F 2639293 PGPGOXCCURYSQO-UHFFFAOYSA-N 438.509 4.051 50 40 IIGB N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1N1CCOCC1 3230729 IDTPZFSSBNRCFG-NTEUORMPSA-N 437.368 4.366 50 40 IIGB O=C(O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 6445857 XFUDWICYIROLJB-GYSQBAHHSA-N 449.872 4.254 50 40 IIGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 9345340 YQLNGGGFTYRZMT-UKTHLTGXSA-N 443.290 4.145 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)ccc1OCCC(C)C 17097502 GDONQGBQNRGZRU-NRFANRHFSA-N 431.492 4.180 50 40 IIGB CCOc1c(I)cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc1OC 408540809 BVXFYKIWGOCVCL-OVCLIPMQSA-N 449.244 4.461 50 40 IIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C 408589867 NFYOXUBEZIHEKF-FSJBWODESA-N 426.860 4.428 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)o1 408592501 YRUHHLHQJKDCNT-SRZZPIQSSA-N 447.276 4.364 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C 408746495 DSXHLNAJLVFQRD-NDENLUEZSA-N 430.464 4.234 50 40 IIGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(I)cc1 408789478 LHAJRHRVIRPMEP-VCHYOVAHSA-N 443.082 4.208 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(Br)c2)cc1 408811407 LHQXTXFUGGTTLB-AUWJEWJLSA-N 435.705 4.343 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(C(=O)O)cc1 408968077 WHJRVHFENBCWSG-VULFUBBASA-N 448.475 4.053 50 40 IIGB O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)N/N=C/c1ccco1 1469997 DTBNFAISGXFXKT-YDZHTSKRSA-N 437.912 4.423 50 40 IIGB COc1ccc(C(=O)OCCCNC(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)cc1 27563013 NGGFSQPZYFQHTP-WJDWOHSUSA-N 433.291 4.272 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(OC)c1 33382531 JUPBXTMOODGSMR-SSDVNMTOSA-N 429.816 4.289 50 40 IIGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1cccc2ccccc12 226337863 JVZPXVSBLWHMGY-MDZDMXLPSA-N 427.298 4.193 50 40 IIGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408541850 GFKWYMBIQHACPJ-AUWJEWJLSA-N 445.269 4.100 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2ccco2)cc1)Nc1ccc(Cl)c(Cl)c1 408761431 FGVPPLFMBYVQSK-FOKLQQMPSA-N 432.263 4.368 50 40 IIGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3cccc(Cl)c3)ccc2OC)cc1 408884081 XQPVDAKNPHYFRL-AFUMVMLFSA-N 438.867 4.340 50 40 IIGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1C 409196925 SKTPPINCLUKMSW-LDQYXZLGSA-N 443.503 4.219 50 40 IIGB COc1cc(OC)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br 409243484 WSLUXNKDSNFOOC-BOPFTXTBSA-N 429.314 4.122 50 40 IIGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)ccc1OC 409314613 LXAPIVFSJIQLIV-QQXSKIMKSA-N 434.492 4.445 50 40 IIGB Cc1ccsc1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 2623185 ILFFIBAPSBQSEU-CIAFOILYSA-N 433.942 4.275 50 40 IIGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccncc1 9186540 SEDZSJFLBQHCLT-ITYLOYPMSA-N 442.548 4.270 50 40 IIGB COCCn1c(SCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)nc2ccccc21 12603963 XEFJSPUFNOGCSB-RCCKNPSSSA-N 436.562 4.321 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC 20195172 NQLJZHUUUPXUSM-YDZHTSKRSA-N 431.330 4.332 50 40 IIGB C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 58884655 CPNKEPPUBRBNSF-BHGWPJFGSA-N 425.794 4.012 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 58913443 ICRAVKJSKJKCTE-CVKSISIWSA-N 432.524 4.198 50 40 IIGB O=C(Cc1ccc(F)c(Br)c1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59577349 ZMCNVLHDYKMMFR-UHFFFAOYSA-N 436.159 4.201 50 40 IIGB CC(=O)NNc1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 72238719 DXGGBZZWRUUGFT-UHFFFAOYSA-N 431.315 4.288 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 408803698 SGPXLXHXTPJDKD-NBVRZTHBSA-N 445.450 4.397 50 40 IIGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409356899 HXGZPPQRJHDZBG-SSDVNMTOSA-N 443.257 4.180 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1C 12543032 LCKGMTXKRCCEGO-CXUHLZMHSA-N 444.875 4.165 50 40 IIGB O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2s1 33558313 BDUYQXKAQVSFFI-CIAFOILYSA-N 435.421 4.272 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 2424084 ZOEXFWZXZJKZIK-BMRADRMJSA-N 438.443 4.041 50 40 IIGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)cc1C 9613388 ZWGUXNIDSWIVCD-HMAPJEAMSA-N 445.906 4.419 50 40 IIGB COc1ccccc1/N=C\c1ccc(O)c2c1OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 12371717 XGXSGSDTEWRMAL-OJAWRPIQSA-N 442.431 4.278 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 59334892 YZTDFKRSEHKQKA-NDENLUEZSA-N 435.480 4.296 50 40 IIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1 408807734 OOYOZAVLNGFEDG-VZUCSPMQSA-N 437.677 4.371 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 59301806 RWKAEWQCOXNRBP-DHRITJCHSA-N 438.867 4.390 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1F 59334391 PLOZIAPRXPGKKJ-NVNXTCNLSA-N 433.277 4.171 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108178200 FGLVAELQAOQCGH-WYMPLXKRSA-N 437.521 4.202 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(C)=O 408761864 MADVBJUUMLVCIV-UFFVCSGVSA-N 439.693 4.190 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1OC 409366158 STRFGOBNKPUPMP-FSJBWODESA-N 443.843 4.218 50 40 IIGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl 3335954 DEDGXQJNNXYCOT-UHFFFAOYSA-N 446.674 4.175 50 40 IIGB CCCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC 10475992 ZFLTWZGEHSQSTP-OEAKJJBVSA-N 449.345 4.338 50 40 IIGB Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1 12921774 VKKQHIZPDMJACD-UHFFFAOYSA-N 429.567 4.039 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)sc2c1CCCC2 33343655 CINQXOKEWUARCY-PTNGSMBKSA-N 440.521 4.366 50 40 IIGB O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 58884730 KHMHGHGZMSGJKR-WGOQTCKBSA-N 425.444 4.427 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 59281803 OJAHISZKWDKANI-QGOAFFKASA-N 443.415 4.368 50 40 IIGB CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 100840736 YROGJBZNMBUCPM-OXFWXOROSA-N 431.275 4.226 50 40 IIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(C)cc2)c1C 408530889 MZPBJJMUZZLSAO-JFLMPSFJSA-N 432.524 4.141 50 40 IIGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OC 408541774 HOULTGMWFDUKCC-AUWJEWJLSA-N 435.217 4.071 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 408787407 ZPAPFFULFBYKQZ-NDENLUEZSA-N 435.480 4.342 50 40 IIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccncc3)n2-c2ccc(C)cc2)cc1 1301863 GCUGZCMITFPIJH-CVKSISIWSA-N 442.548 4.189 50 40 IIGB Cc1cccc(OCC(=O)N/N=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1 9632698 YRVBMKGGNCKJLQ-BHGWPJFGSA-N 431.323 4.384 50 40 IIGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(O)cc1 15223257 PSKYZNHGRRTIOU-VEILYXNESA-N 439.515 4.186 50 40 IIGB CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(C#N)=C(SC)N[C@]1(O)c1ccccc1 34714507 KHKYGIMJQVADDJ-DXIQSLLYSA-N 428.941 4.150 50 40 IIGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1ccc(C(=O)O)cc1 35242277 ZFHZFYQYZAMFOI-ACAGNQJTSA-N 436.645 4.328 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 58913023 ZVCOBMSOHJKELB-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cc(C)ccc2C)c1 409262888 KLWORMQNWQGQRQ-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1 409267219 MOMIWDKOZXCXIS-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB CC(=O)Nc1ccc(/C=C2\C(O)=NC(=S)N2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 1637218 BAFFONQGIUKLDQ-PQVYQWJWSA-N 433.449 4.016 50 40 IIGB COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc(Br)c1O 2675498 JNXMGONOBKDKKG-LSHDLFTRSA-N 435.318 4.124 50 40 IIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(I)c3)[C@@H]2C1 8742153 QLJKIFRBLZIKQL-NJAPINKUSA-N 440.288 4.131 50 40 IIGB COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(C)cc1 9948715 LVROYSHWKOLCKE-OCKHKDLRSA-N 426.108 4.293 50 40 IIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1 12275959 RCUULEUHCSTVDK-GBXCKJPGSA-N 436.533 4.126 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(Cl)c1 33958605 DUMKZANPEVDYTC-DHRITJCHSA-N 425.847 4.147 50 40 IIGB CCOC(=O)/C(C#N)=C(O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 102938621 SNAJJOCSGOXFJZ-LFQOXGNUSA-N 441.281 4.119 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 408601121 ACJNZXMVANIVJG-LJQANCHMSA-N 433.483 4.209 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1C 408661621 XLVKIWACZSKBDP-FXAWDEMLSA-N 431.891 4.219 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 408792399 BGFNZLQYIYYEDR-PXLXIMEGSA-N 425.488 4.236 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cccc(C)c2C)cc1 409025690 YSTCVBWREKAFAG-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC=C)c(OC)c1 409317532 VBAJBAWAACLCSX-UCQKPKSFSA-N 445.313 4.351 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)Nc1ccc(F)cc1 1015048 XEVHIUAHYAPVAI-DHRITJCHSA-N 425.847 4.261 50 40 IIGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccco1 8836763 WGWWLXFCPVGBEY-ULJHMMPZSA-N 431.521 4.468 50 40 IIGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 13055507 YMCAMKLFNIFIOC-QFIPXVFZSA-N 449.532 4.479 50 40 IIGB CCOC(=O)c1csc(N(NC(=O)Nc2ccccc2)C(=O)Nc2ccccc2)n1 16956809 OFMDWBJVCBPGAS-UHFFFAOYSA-N 425.470 4.095 50 40 IIGB CCn1c(SCC(=O)N/N=C\c2ccc(SC)cc2)nnc1-c1ccc(C)cc1 30735537 KSUWDGKDGOUDCA-XKZIYDEJSA-N 425.583 4.238 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)o1 408883176 RVESRKZVBWZCBQ-BUVRLJJBSA-N 430.420 4.418 50 40 IIGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)ccc1Br 409204468 HUNCGXMIQLHMHV-OBXYEHHASA-N 442.357 4.367 50 40 IIGB Cc1cc(/C=N\NC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1ccccc1C(F)(F)F 83311091 USBAYFIQHWBJHW-VYYCAZPPSA-N 448.489 4.402 50 40 IIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1OC 206244080 CDSOMYAOYZOJPC-UVTDQMKNSA-N 448.260 4.244 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 408765828 QNWZQYYCFSUXOF-NBVRZTHBSA-N 430.416 4.221 50 40 IIGB Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 706118 XQBAXSHGMLCCIW-GOSISDBHSA-N 425.261 4.301 50 40 IIGB C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CBr 4082505 QJSUZHISHKPESJ-JEXSJDKMSA-N 427.423 4.331 50 40 IIGB biogenic Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1 14166524 VLXIYZYECXWUJP-ZMOGYAJESA-N 428.554 4.099 50 40 IIGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccccc1 408862631 HZVJPXZPUHKQHL-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB O=C(N/N=C/c1cccs1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408974033 VJIDNXJPYAGVSP-DGEAWOGYSA-N 435.574 4.329 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1Cl 409062769 ANQFJLFKHKFMIK-FSJBWODESA-N 426.860 4.428 50 40 IIGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@@H]1c1ccccc1 409318114 XGPCDNMWTDRWLY-MRXNPFEDSA-N 431.439 4.416 50 40 IIGB CN(C)c1ccc(/C=C/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 3089792 NZEURUUMWLESCL-FXLZSLRCSA-N 435.290 4.336 50 40 IIGB C[C@@H]1S/C(=N/NC(=O)COc2ccc3ccccc3c2)N(c2ccc(Cl)cc2)C1=O 12710066 XIMMKVOTCJJRKN-DMNZLEQVSA-N 439.924 4.428 50 40 IIGB CCCCCCC(O)(CCCCCC)C(=O)NN(c1ccc(C)cc1)S(C)(=O)=O 4573072 MURALLGCGZEPGL-UHFFFAOYSA-N 426.623 4.464 50 40 IIGB C#CCOc1cc(Br)c(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 9263595 ALQBWTHGKJPETQ-RIYZIHGNSA-N 438.281 4.419 50 40 IIGB CCOc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 20176334 HSKXUAIDMXNPAF-DJKKODMXSA-N 442.107 4.080 50 40 IIGB COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1OC 28217839 CQZAXLLQZQIISE-SRRANQMSSA-N 437.359 4.238 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccccc1 33656860 QLTKAOKFABCYCS-WGOQTCKBSA-N 434.492 4.445 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38658452 OZIZOKCVTBXOEY-OAQYLSRUSA-N 434.473 4.203 50 40 IIGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 97993345 IPVISTYZCCICLY-DHDCSXOGSA-N 444.476 4.454 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 408591494 UKVVYKKKOKCIRC-AFUMVMLFSA-N 425.916 4.458 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 408734698 IPCWFWSRGNDIBU-XDHOZWIPSA-N 447.447 4.389 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 408744678 GMLCMOUFFVDDKU-RAXLEYEMSA-N 434.364 4.317 50 40 IIGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408812729 NKBBAAAWYBZUBB-GZTJUZNOSA-N 447.304 4.227 50 40 IIGB O=C(c1ccccc1)N(NC(=O)[C@](O)(c1ccccc1)c1cccs1)c1ccccc1 825208 DINVQRDGOCTSCM-VWLOTQADSA-N 428.513 4.362 50 40 IIGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N32)cc1OC 12275073 IXMXYLCKEBRLOB-KSFYIVLOSA-N 442.924 4.000 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408724492 FCABQZKRTWJTRC-PDGQHHTCSA-N 445.431 4.434 50 40 IIGB O=C(N/N=C\c1ccc(F)cc1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408729974 CXPVQJZNBHULHL-WKIKZPBSSA-N 446.507 4.229 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCC(=O)O 408856211 JMLMMTLZCXBCPM-YBEGLDIGSA-N 426.856 4.086 50 40 IIGB Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 408862550 GCGRQLBMNCUGSW-LPYMAVHISA-N 447.969 4.056 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)cc1 408951872 KIRUYYJTWHNRDJ-TWGQIWQCSA-N 426.064 4.359 50 40 IIGB N#Cc1ccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c(F)c1 408967022 OTTIWKPKDCQMAH-CCVNUDIWSA-N 439.450 4.055 50 40 IIGB C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 3100982 RPFFZDYWMHGPQO-AEIQVQRHSA-N 435.911 4.247 50 40 IIGB Cc1cccc(CSCC(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 9603797 VQNBSPCXKZRYTE-UHFFFAOYSA-N 442.544 4.300 50 40 IIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 9720420 BLNYBXOVKCPLAJ-AFUMVMLFSA-N 448.276 4.304 50 40 IIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1cccc(Br)c1 33775628 FTMWMSPRWKSOKF-PTNGSMBKSA-N 436.265 4.484 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)n1 57609287 XDMJXCGKJFTVHU-ZVBGSRNCSA-N 445.888 4.157 50 40 IIGB Cc1sc2ncn(CC(=O)N/N=C\c3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 101088011 BHDNRIWJFDMHIS-GATIEOLUSA-N 436.924 4.237 50 40 IIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1 408802823 HWIFTGVXEHSVDX-QZMYASAMSA-N 431.536 4.299 50 40 IIGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccc2ccccc12 408973491 STORVXVSSFJJJT-JEWPKMHUSA-N 431.536 4.208 50 40 IIGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc(Br)c1O 409126063 LDQWLVJUXKFHHX-PUFAJPFRSA-N 437.359 4.493 50 40 IIGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)cc1 2754746 CWQAOYHXZIJVCB-JVWAILMASA-N 428.488 4.305 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c(C)n1CC(C)C 3301474 ZBAVIIPUEMMDFP-VCHYOVAHSA-N 445.466 4.451 50 40 IIGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)s1 5940040 OTBUUNDRMUQOAJ-YBFXNURJSA-N 439.971 4.418 50 40 IIGB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12 9281417 UWCPMGXQZNUBJV-VJBWXMMDSA-N 436.511 4.481 50 40 IIGB Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(C)n1Cc1ccco1 9670418 CMBQGBBVFUEKPR-DEDYPNTBSA-N 431.492 4.145 50 40 IIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 20100898 ZDZKXKJNMUIGTG-WGOQTCKBSA-N 434.492 4.202 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1 33645762 VTJQYIQOXGAONQ-WGOQTCKBSA-N 431.492 4.387 50 40 IIGB C[C@H](C(=O)NN=C1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026256 KBCBOIQQMPHYLL-QGZVFWFLSA-N 429.542 4.070 50 40 IIGB O=C(COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 409191729 LUFLIVFPKBEVOP-DHRITJCHSA-N 425.847 4.261 50 40 IIGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 16184403 JRIBIGDXUCZFAR-OEBHEVRYSA-N 437.496 4.459 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)c1C 20194838 XFPPMLMAYFAZHN-AFUMVMLFSA-N 434.496 4.321 50 40 IIGB COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NNC(=O)c1ccc(C)cc1 27025078 JAKZGULGHYGTKT-UHFFFAOYSA-N 435.804 4.172 50 40 IIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 58928437 PKNDXFDEVMCOGG-DZTFFZQKSA-N 447.560 4.476 50 40 IIGB C/C=C/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100037880 UTPIUWDVDSEPNW-NQQGSLGXSA-N 430.164 4.403 50 40 IIGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)cc2)cc1OCC 409004635 AYEHODBVAUZGTP-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccco2)cc1 409226273 UJOSAIDONQTHES-CFRMEGHHSA-N 439.855 4.265 50 40 IIGB Cc1c(Cl)ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1C 1926742 QWOAHWFJAHALRD-LBPRGKRZSA-N 445.730 4.257 50 40 IIGB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NNC(=O)c1c[nH]c2ccccc12 30930196 HCFBZVNEJXLWHJ-UHFFFAOYSA-N 444.438 4.314 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)c1Nc1ccccc1C 408707636 LFQPIWIPYQEOAF-CVKSISIWSA-N 430.508 4.453 50 40 IIGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc21 408747240 KYIXEBPYJYHSJA-UVTDQMKNSA-N 438.281 4.122 50 40 IIGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1Br 408814766 ZQNVECOHYBMCEW-RIYZIHGNSA-N 431.286 4.329 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1Cl 408934246 BORQVOZNOBANPE-DHRITJCHSA-N 438.915 4.153 50 40 IIGB CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)cc1 6143852 PZVLWYJMDJYTFP-LPYMAVHISA-N 427.302 4.392 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1F 8397286 JMVGNLHDBAAQKB-JOCHJYFZSA-N 438.430 4.367 50 40 IIGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 8738305 WQGKIPBVEZUSDH-SFHVURJKSA-N 439.302 4.125 50 40 IIGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)cc1 9948726 AWCYQYLLCXFOTN-ZZIIXHQDSA-N 447.922 4.403 50 40 IIGB O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNC(=O)CSc1ccccc1F 10027073 CEHFPNAIRPONIE-VMPITWQZSA-N 432.826 4.451 50 40 IIGB CC1=C(C#N)C(O)=NC(=O)/C1=C\c1ccc(-c2ccc(Br)cc2C(=O)O)o1 12412620 MHIPKQSNJNRRTE-QPEQYQDCSA-N 427.210 4.127 50 40 IIGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)/C=C/c1ccco1 15906186 LYISEPOQWIIVHO-XLOTWMOGSA-N 430.464 4.289 50 40 IIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2cccc3cccnc23)o1 408764129 RUNDHUGKBZHJMY-DHRITJCHSA-N 430.420 4.241 50 40 IIGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccccc1F 408785766 YZYBXIHOXLLYFD-UHFFFAOYSA-N 425.570 4.369 50 40 IIGB C#CCOc1cccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)c1 409320469 BDJTZDIYXBEEIT-IMRQLAEWSA-N 428.488 4.440 50 40 IIGB CC(C)[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/C=C/c1ccccc1 8461754 XPOMMMRJNRNXPE-PINVYBJJSA-N 429.520 4.175 50 40 IIGB COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1 20060444 OPVTVWZZRYCAOW-UHFFFAOYSA-N 437.606 4.238 50 40 IIGB C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1O 20247246 SSJVMPCDUCWFLW-TUIZQPODSA-N 445.544 4.320 50 40 IIGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)c1 2414163 HGIOXBGJCOWYRO-NBVRZTHBSA-N 428.492 4.069 50 40 IIGB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCBr)cc1 9010549 WQMQWFZMJPLODG-SFHVURJKSA-N 430.298 4.059 50 40 IIGB COc1cccc(/C=N/NC(=O)c2ccncc2)c1OCCCOc1ccc(C)c(C)c1 9969786 HMJCYPDWMNNGED-WPWMEQJKSA-N 433.508 4.319 50 40 IIGB Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl 12921771 RNQBXPPUFKCMIB-UHFFFAOYSA-N 442.349 4.049 50 40 IIGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1C 13800151 XDPTZVKYFZRIRY-LTGZKZEYSA-N 444.535 4.306 50 40 IIGB O=C(N/N=C/c1ccccc1Cl)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20240366 CKTLTFHQLDNODS-OVVQPSECSA-N 432.955 4.426 50 40 IIGB CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 9328130 YNXCPLAZZILBHT-ZPHPHTNESA-N 441.318 4.335 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 33343184 ZLSMUWMVBFGTSG-UVTDQMKNSA-N 425.466 4.257 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1OC 59383272 NNMKZYWIRLIUKU-WSDLNYQXSA-N 449.370 4.406 50 40 IIGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(C#N)cc1 409197905 RQTBMNXOPFSLMR-WWUWQWKFSA-N 438.487 4.293 50 40 IIGB COc1cc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)cc(OC)c1OC 685524 ZUICEJFQDLWJMM-WYMPLXKRSA-N 439.537 4.120 50 40 IIGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cc([N+](=O)[O-])cs1 704802 ACXUJCZAUGMXMA-UFWORHAWSA-N 434.271 4.101 50 40 IIGB CC(=O)O[C@@]1(O)[C@@H](Br)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918361 MKWMKOFYJNDRLI-MQWPULPWSA-N 425.363 4.143 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 409027003 OIZYSTHHQGGIBO-LYBHJNIJSA-N 429.586 4.345 50 40 IIGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 6195002 AZJGSANPDAJKLX-DNQXCXABSA-N 449.514 4.235 50 40 IIGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Cl)Nc1ccc(F)cc1 34868975 VYFOGTFIKLSYIO-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)cc3)c2C)c1 408532876 RKCVEEUUBWTGRD-JFLMPSFJSA-N 432.524 4.141 50 40 IIGB N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)c1ccc(Br)cc1 408579240 FEAZDUQOEFASNA-NTUHNPAUSA-N 436.103 4.140 50 40 IIGB COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(OC)c1OC 409127105 QDKSOQOBURFVTC-LSFURLLWSA-N 443.352 4.403 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Cl)cc1 408602260 BHJJWMUOONTZFM-IBGZPJMESA-N 436.924 4.425 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC 408748157 ZHLXDKMWCWQIQY-VBKFSLOCSA-N 425.282 4.405 50 40 IIGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2cccs2)cc1 408906923 KOSHMNLVPAWGSN-LPYMAVHISA-N 447.969 4.132 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1 409250331 NCIXMIOGGZYYED-KSEXSDGBSA-N 432.263 4.011 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)cc1 658149 HAVIWTCBDUIROG-AFUMVMLFSA-N 438.867 4.340 50 40 IIGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(O)c(OCC)c4)cc3C2)cc1 58872025 GKMQPRPPDMPVMJ-JFLMPSFJSA-N 445.519 4.474 50 40 IIGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 408607526 DMQDNDMRDBKYHI-MUFRIFMGSA-N 447.510 4.295 50 40 IIGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1 409194696 LJEANKIQAGBDRY-FLZWBEAESA-N 443.503 4.301 50 40 IIGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC 409200290 HVQPTWIYYCQYJQ-QPEQYQDCSA-N 436.205 4.281 50 40 IIGB COC(=O)[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)CCl 15413914 LPGRIDNCKCCOGT-QGZVFWFLSA-N 430.715 4.012 50 40 IIGB CCCOc1ccc(C(=O)NNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1OC 40158591 OOZQUZWTKAVFCV-UHFFFAOYSA-N 433.917 4.269 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OC)cc3Br)cc2c1 409185246 UWBMJODSINYRDK-JJFYIABZSA-N 447.285 4.375 50 40 IIGB COc1ccccc1NC(=O)N/N=C\c1cccc(OC)c1OCc1ccc(C(=O)O)cc1 409186343 ASGLDSFVUWAQJV-QFEZKATASA-N 449.463 4.137 50 40 IIGB C/C(=N/NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1ccc(Br)cc1 8781360 YMLPZGZSAHDWHN-KQWNVCNZSA-N 425.330 4.465 50 40 IIGB C[C@@H](C(=O)N/N=C\c1ccccc1Cl)n1c(-c2ccccc2)nc2ccccc2c1=O 12082372 SHBBKHCPKWJFAB-FFGRAEKCSA-N 430.895 4.428 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)sc2c1CCCC2 16806752 BDRXVTPOTKBCIF-UVTDQMKNSA-N 426.494 4.063 50 40 IIGB CCCOc1cc(Br)c(/C=N\NC(=O)c2cccc(OC)c2)cc1OCC 33740177 SHUBRGBKQWCDLV-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)cc3)c2C)cc1 408534589 WDASWAHBTGWTSO-JFLMPSFJSA-N 432.524 4.141 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cccc(Cl)c2C)cc1 408783909 OMPSPRRULUTCMR-UHFFFAOYSA-N 433.961 4.198 50 40 IIGB O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1cc2cc([N+](=O)[O-])ccc2o1 408905756 DIUKDUAVJLZVCP-FBCYGCLPSA-N 438.621 4.226 50 40 IIGB C[C@H](C(=O)N/N=C/c1ccccc1Cl)n1c(-c2ccccc2)nc2ccccc2c1=O 1775336 SHBBKHCPKWJFAB-KSXCTLEASA-N 430.895 4.428 50 40 IIGB C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccs2)c2ccccc21)c1ccccc1 2218778 KCEQPEWYNYOTEL-DSGGYQJVSA-N 426.501 4.050 50 40 IIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 9119958 HEIBYQYHUJYNJS-DYNVFCCOSA-N 425.514 4.081 50 40 IIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OC 9204725 OSBCNMMPHDCNOI-SRZZPIQSSA-N 425.710 4.203 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1COc1cc(F)ccc1[N+](=O)[O-] 15934444 RZIVZGMOLNEQGI-BRJLIKDPSA-N 441.390 4.225 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 58913446 VBLHWPCSWADSAC-CVKSISIWSA-N 432.524 4.198 50 40 IIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 59391554 JIQFHABFGLLQBH-SSDVNMTOSA-N 426.885 4.490 50 40 IIGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 103071947 NHUWNZHXIIUMOT-CYVLTUHYSA-N 435.553 4.301 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCC#N 408745478 SPYBUZFXBABOJT-DHDCSXOGSA-N 426.270 4.214 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)cc1 408793109 NLBXUJRJMYXNDG-RVDMUPIBSA-N 426.270 4.296 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I 408795652 MAWRBRPBYNCBSF-OQLLNIDSSA-N 432.261 4.462 50 40 IIGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 409186831 IJYSEYKPOKGRRC-JJFYIABZSA-N 426.885 4.490 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(O)(c1ccccc1)c1ccccc1 1083327 ONFDRHBWQPGWAR-YZSQISJMSA-N 441.443 4.241 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)cc1 1887664 VFSLUMSDKYFOCG-TVJQZGFISA-N 446.359 4.474 50 40 IIGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1 6134844 JFQLBYGTTCCBEU-KWCFBIRBSA-N 440.931 4.265 50 40 IIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(I)o2)cc1 408993184 CPFIYDMRCODOLV-RGVLZGJSSA-N 433.249 4.056 50 40 IIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2c1 409015802 BLCUEGGQESWRAL-WSDLNYQXSA-N 425.466 4.008 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc2c1CCCC2 859755 CINQXOKEWUARCY-RVDMUPIBSA-N 440.521 4.366 50 40 IIGB CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccco2)cc1 2148152 GRGKZRQVRGDIBJ-QPFIVIFOSA-N 430.508 4.047 50 40 IIGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2Cl)cc1 3416284 BSZYNSHOLQHEOG-UHFFFAOYSA-N 439.737 4.240 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 13921312 IJFVHHUPIFQWKB-MZJWZYIUSA-N 441.409 4.373 50 40 IIGB C/C(=N/NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccc(Cl)cc1 35395605 XCCQLESNYKSBPP-XYGWBWBKSA-N 430.899 4.196 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1cccc(C(=O)O)c1 59247725 BRYQQZLZEIORSP-VULFUBBASA-N 448.475 4.053 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 408591236 SFMFGJZIHPITSP-FOKLQQMPSA-N 440.297 4.349 50 40 IIGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 408811388 LHGMOXNIRQKXBS-JCMHNJIXSA-N 430.504 4.058 50 40 IIGB O=C(Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 409219608 SDIFFELRJGTUAH-MYKKPKGFSA-N 447.325 4.190 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)c1 409334479 MBDJAVNXDVGHRI-WSDLNYQXSA-N 427.254 4.260 50 40 IIGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)O)o1 33623753 JONXUOLXBIIZFX-MSXFZWOLSA-N 434.404 4.076 50 40 IIGB O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220867770 NVDPUBYDIJHSBF-HZPDHXFCSA-N 433.603 4.022 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1Nc1ccccc1C 408707170 HNOUSVSOOLFRFZ-AFUMVMLFSA-N 436.899 4.489 50 40 IIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1 408800116 KQYMGGSDZMTVNJ-WEKPXBEKSA-N 439.515 4.166 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccccc1 409120275 YXCIOTALXCWMPO-NCELDCMTSA-N 435.549 4.115 50 40 IIGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 2419007 SRFIMICUSZATEI-XDJHFCHBSA-N 442.519 4.460 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 9543220 RRMFHSMNZZQZIX-LJQANCHMSA-N 439.302 4.125 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(Br)cc1 10000893 PKSJEHSFFQDVBL-WYMPLXKRSA-N 440.297 4.196 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3OC)o2)ccc1Cl 108271023 GCHFYJYIPZVREN-WYMPLXKRSA-N 442.855 4.168 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2cccc(C)c2)cc1 408862409 JEKOFMSCZZDVCX-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)c1 409049509 XHKKGTZGCRTPSL-PXLXIMEGSA-N 425.488 4.236 50 40 IIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409228280 WQTCPONGARDAQS-JQFNYASXSA-N 439.309 4.254 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(F)c(Br)c1 705788 NRKDLQMIKUOCBF-QGZVFWFLSA-N 443.272 4.370 50 40 IIGB Cc1cc(O[C@H](C)C(=O)N/N=C/c2ccc(O)c(Br)c2)cc(C)c1Cl 943338 WSEGXTFLSHGUEN-PITUFAOZSA-N 425.710 4.343 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 3060108 TYCAGDIHSQSCQL-YZSQISJMSA-N 449.576 4.151 50 40 IIGB CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc(C)cc1C 4179705 HEQGXFDWQSLRTL-MFKUBSTISA-N 425.533 4.400 50 40 IIGB COc1cc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)ccc1OCc1ccccc1 8566460 DKGJSJJRRPEAAE-CVKSISIWSA-N 442.475 4.134 50 40 IIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1 12275953 RCUULEUHCSTVDK-YKSBVNFPSA-N 436.533 4.126 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 59254511 QHGKUGXLHHJOCY-KGZWWPETSA-N 444.890 4.269 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)cc(OC)c1O 108351845 PQQVHNCYPWWGIF-SSDVNMTOSA-N 429.270 4.089 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 408782074 FSHODXMAZGVTKI-SSDVNMTOSA-N 442.368 4.033 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408975626 BKSYUJZHJPJWEM-YBFXNURJSA-N 432.436 4.243 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1Cl 409063071 GLSRNLNDKMMCAV-FSJBWODESA-N 426.860 4.428 50 40 IIGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)c1 1258157 LKXPGAGJODNUCN-HXUWFJFHSA-N 434.521 4.246 50 40 IIGB Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)C(=O)N2 8435308 XJSHQOSVUXJIGR-UHFFFAOYSA-N 427.085 4.151 50 40 IIGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccco3)nnc2-c2ccccc2)cc1 9076567 SWBIKIKCSBGQRN-LFVJCYFKSA-N 447.520 4.168 50 40 IIGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc2c(c1)oc1ccccc12 9581443 KANINFNBLPIKRD-QYPVHMSXSA-N 426.266 4.096 50 40 IIGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c1 9660073 OTUJKRRKPSAVJT-WPWMEQJKSA-N 440.455 4.031 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccccc2C)cc1 16309387 PMDXQEYNLLAIGE-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3cccs3)cc2)CC1 408885412 ZJRDXZKEICCDDN-LGUFXXKBSA-N 448.592 4.233 50 40 IIGB N#C/C(=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)NC[C@H]1CCCO1 872824 QUXARGDTGNGRBZ-OVWUPXBPSA-N 433.483 4.062 50 40 IIGB CC1=C(C)C[C@H](C(=O)NNC(=O)c2sc3cccc(Cl)c3c2Cl)[C@@H](C(=O)O)C1 2801831 XKEWDAHNDGQHFJ-QWRGUYRKSA-N 441.336 4.416 50 40 IIGB COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCl)c1OC 9137939 CADSLKUWFUMGHQ-INIZCTEOSA-N 437.721 4.383 50 40 IIGB C/C(=N\NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cc2ccccc2o1 9465009 MISVXMWWDWDHJG-WPWMEQJKSA-N 436.471 4.345 50 40 IIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 18173186 JIEPLCNKSNIGDM-BUVRLJJBSA-N 441.940 4.070 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 59435315 VWCQAWOXJIUQAZ-FSJBWODESA-N 441.827 4.449 50 40 IIGB CCCCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1OC 408979974 PABGUXNCLJPBKH-SVVBGHPLSA-N 441.528 4.202 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409177515 GHNDQZNSEVVAAO-UFFVCSGVSA-N 444.787 4.189 50 40 IIGB COc1cccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)c1OC 1434116 XQUGLQOJQZVVEP-FSJBWODESA-N 443.297 4.149 50 40 IIGB Cc1cc(I)cc(C)c1OCC(=O)N/N=C/C=C/c1ccccc1 3139847 JCBRAPQHPVPBLF-DVMKSOMISA-N 434.277 4.102 50 40 IIGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)ccc21 3331476 HFNOGUFFXYZNOK-UHFFFAOYSA-N 439.475 4.248 50 40 IIGB Cc1cccc2nc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)OC(CCl)CCl)sc12 8455986 JILVMJIBZXMCPT-KOZAUXTDSA-N 439.364 4.371 50 40 IIGB O=C(COc1ccccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1 8721768 ACCZPTKFPNPUCD-MZJWZYIUSA-N 441.409 4.487 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 33346357 HTJBTKZOSQRIDW-OQLLNIDSSA-N 431.275 4.430 50 40 IIGB COc1ccc([C@H](C)[C@H](Br)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1 39574116 QLTVSTXOWFRMFJ-YJLNNSPDSA-N 432.314 4.152 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc2c(c1)OCO2 59334647 DKQMHVJYAWWWOL-APSNUPSMSA-N 428.872 4.042 50 40 IIGB CC1(C)C(=O)O[C@@H]([C@H](Br)[C@@H](Br)c2ccccc2)C(C)(C)C1=O 102789027 FSEOTGDTOQKUGQ-XQQFMLRXSA-N 432.152 4.433 50 40 IIGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC/C(=N\NC(=O)CCC(=O)O)[C@@]4(C)CC[C@H]32)C1 253497833 LHOJGUMNTSJVCF-IALCOHTJSA-N 446.588 4.298 50 40 IIGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1 606422383 UKPOVVHCKRZOOZ-JOCHJYFZSA-N 434.398 4.411 50 40 IIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 1107253 YQHFJIGHKYOGBP-LJQANCHMSA-N 427.372 4.179 50 40 IIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1 12275956 RCUULEUHCSTVDK-RDPSFJRHSA-N 436.533 4.126 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 15974314 SDLOSIWQGIOWEX-NVJOKUIPSA-N 444.466 4.120 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(CC)CC)o2)c(C#N)c1C 33741865 HSBIAGGPOKRMEE-XNTDXEJSSA-N 425.510 4.263 50 40 IIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C 58913518 HZXJYBBNKNRZTJ-VULFUBBASA-N 432.524 4.117 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 216042324 WWBIXHSDZVJOPO-YSMPRRRNSA-N 447.491 4.492 50 40 IIGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 1154608 BZKNPUIPWQCLJR-FNBPXTNNSA-N 443.528 4.331 50 40 IIGB COc1ccc(-c2ccc(C(=O)NNS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 7060259 FECHJOBBFDHLAD-UHFFFAOYSA-N 432.501 4.139 50 40 IIGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)o1 9263058 UALVIHHQWUWMMV-NBVRZTHBSA-N 439.471 4.480 50 40 IIGB C[C@H]1C[C@@H](C)CN(CC(=O)/C(C#N)=C2/NC(c3ccc(Br)cc3)=CS2)C1 97819748 OXDWMDNYHZQUIW-GXNHNSSBSA-N 432.387 4.366 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cccc(Cl)c2)cc1 408767484 LDOABMVVCOSWSI-UHFFFAOYSA-N 433.961 4.280 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC 408816115 IURNYQBIRYAGED-NTEUORMPSA-N 429.245 4.154 50 40 IIGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2801706 PXQCFYCCXPRUHT-JVWAILMASA-N 445.519 4.022 50 40 IIGB COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C1C#N 3248482 AEVJQOPAOIWYKX-OAHLLOKOSA-N 441.940 4.368 50 40 IIGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 9380394 JHWDJRRGZUIVDL-UCQKPKSFSA-N 443.960 4.260 50 40 IIGB Cc1c(C(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)oc2ccccc12 9723002 LDALQONRQCGOBU-UHFFFAOYSA-N 425.444 4.120 50 40 IIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(I)cc1 59381671 NIYRUZXDUMCNEK-GIJQJNRQSA-N 430.698 4.187 50 40 IIGB Cc1cccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)c1 59382990 YDPSRPQFZMBEAG-UHFFFAOYSA-N 427.570 4.407 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccccc1C#N 59534026 ZWKAXZLWFDYJLZ-CIAFOILYSA-N 427.460 4.352 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 105489629 FVMUCKGYEHBTAJ-SSDVNMTOSA-N 429.270 4.089 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCC(=O)O 408797358 RJAQZYLIDGHATI-CXUHLZMHSA-N 428.872 4.310 50 40 IIGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cccn1-c1cccc(C(=O)O)c1 409096525 DOSUDROGLNPCAV-UUYOSTAYSA-N 436.518 4.028 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(C#N)cc1 409204261 DIOMMNUBLQWEIM-RGVLZGJSSA-N 429.501 4.431 50 40 IIGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Br)c1 1052519 VPIBUBSKXOFLHY-VXLYETTFSA-N 426.108 4.374 50 40 IIGB CCOC(=O)Cc1cc(OC)c(OC)cc1/C(Cl)=C(/C=O)c1ccc(OC)c(OC)c1 17176456 QOKNXDZIVXHEOQ-HAVVHWLPSA-N 448.899 4.133 50 40 IIGB Cc1c(Br)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br 408598792 JTABYGMKEGQNMZ-QGMBQPNBSA-N 441.079 4.192 50 40 IIGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 408610541 NXKDTVVCZNUPTR-JVWAILMASA-N 447.466 4.058 50 40 IIGB CC(C)c1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 408774877 QYVVJVKXHIJJCV-SSDVNMTOSA-N 442.368 4.033 50 40 IIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)o2)c1 409155776 MYMNKACFTDOBPO-ZMOGYAJESA-N 426.856 4.306 50 40 IIGB COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc(OC)c1OC 1048038 FCNZHAGICDNFJH-LSFURLLWSA-N 443.352 4.403 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3CC)=C2C#N)cc1 3321564 VAZFKBOAPDXWFW-IBGZPJMESA-N 435.549 4.358 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccc(C)cc3C)cc2)cc1 30843709 NHGNWHQLZLCZOX-YSMPRRRNSA-N 432.476 4.060 50 40 IIGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1ccc(Cl)cc1 408789557 KBKJAXKLRXQUMS-KPKJPENVSA-N 435.661 4.112 50 40 IIGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1 408900614 WULQUVBPGIFIOS-XSFVSMFZSA-N 426.428 4.458 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1cc(Br)ccc1O 409140626 GYQJCBWIXCRFOF-ZVBGSRNCSA-N 448.204 4.226 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409272025 XTGVPFQDCLFXLF-QQXSKIMKSA-N 431.492 4.175 50 40 IIGB COc1ccccc1OCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 1022711 PGMCQBHMIYTBSQ-JVWAILMASA-N 440.503 4.385 50 40 IIGB CC(NC(=O)NCP(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F 2313446 BDFZMBGRNKLJKS-UHFFFAOYSA-N 438.308 4.141 50 40 IIGB Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)cc1Cl 13567726 IVJODBDTCPPYNL-VWLOTQADSA-N 444.922 4.084 50 40 IIGB C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N/NC(=O)C(=O)Nc1cccc(Cl)c1C 14923649 JNVPIQAJIZQIMR-WGARJPEWSA-N 428.920 4.231 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCCC)=C(C#N)[C@@H]1c1ccccc1Cl 20347837 RLNJTJSEJMQMSK-FQEVSTJZSA-N 446.956 4.452 50 40 IIGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1)c1ccccc1 408805642 BJJIGYWRCIFKHS-HSJQUHBMSA-N 439.515 4.166 50 40 IIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]2C1 6014864 JJHNKYUQHKBCLY-OALUTQOASA-N 435.915 4.000 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)ccc1O 37868659 KWTAENBVPLPUEP-ZMOGYAJESA-N 432.505 4.333 50 40 IIGB COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br 408678375 XUGFLRKKINPGND-WSDLNYQXSA-N 436.737 4.475 50 40 IIGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1Cl 408833238 WXOZXWNPIDUEKJ-ZMOGYAJESA-N 434.323 4.149 50 40 IIGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(O[C@H](C)C(=O)O)cc2)c1 408852746 MZKXUQDFSKLPAW-MRXNPFEDSA-N 439.899 4.363 50 40 IIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c1 408993532 VZFFMZMFYOJJRG-DHRITJCHSA-N 439.899 4.063 50 40 IIGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cccc(Cl)c1 671165 NGHBNMVFFMZOAW-UHFFFAOYSA-N 433.689 4.096 50 40 IIGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 866606 DURLHJJANJOAQN-UHFFFAOYSA-N 439.309 4.265 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1OC 2654506 JAWRHKVAFIVTCS-ZMOGYAJESA-N 439.399 4.307 50 40 IIGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)NC[C@H]1CCCO1 2800865 BHFRVLVYSVQOGU-ASJRZHAZSA-N 436.251 4.364 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Cl)c1OCc1ccc(F)cc1 6300184 VMJPHRZQNXTLGO-IBGZPJMESA-N 440.862 4.316 50 40 IIGB Cc1c(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1 9186464 ZMUFOZQEAAJXNH-CVKSISIWSA-N 442.475 4.435 50 40 IIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 9434559 SVFNYNARIZFALZ-UHFFFAOYSA-N 448.416 4.468 50 40 IIGB O=C(CCn1nc(-c2ccccc2)cc1-c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 10384343 OMONTGHYIVYACN-UHFFFAOYSA-N 435.487 4.080 50 40 IIGB Cc1noc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 12557501 HGVAXVAJADQALC-CXUHLZMHSA-N 441.285 4.198 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2Cl)[C@H]2CN(Cc3ccccc3)CC=C12 13512020 QOSBPNWWJOUHSK-JTHBVZDNSA-N 425.923 4.266 50 40 IIGB O=C(NN[C@@H]1[C@@H]2CCCCC2=NN1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16401009 SRMILFYQFOMNHD-MJGOQNOKSA-N 431.323 4.256 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3sccc3C)nc3ccccc3c2=O)cc1 16712097 BFMHANBIMKLDIV-CFRMEGHHSA-N 448.573 4.306 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)n1 27836550 CMSUUYVLBITPLE-RPPGKUMJSA-N 447.539 4.478 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33293700 FJUGMDAXRCJYGK-JFLMPSFJSA-N 445.519 4.402 50 40 IIGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408744018 DFFIJODGJBEXKA-ZROIWOOFSA-N 431.286 4.411 50 40 IIGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 408881270 KOAMITHLXCDOHT-SSDVNMTOSA-N 429.816 4.046 50 40 IIGB CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408967234 PJYVEMBVLIIZEC-IVWKQIGUSA-N 448.292 4.410 50 40 IIGB O=C(Cn1nnnc1-c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 809265 WWTDTODOUYULEP-FOKLQQMPSA-N 441.278 4.057 50 40 IIGB CCc1ccc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)cc1 9693150 MBWUWSUMKFPSQX-LJQANCHMSA-N 435.549 4.486 50 40 IIGB CCc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccccc3)CC2=O)cc1 408609945 SOUGXUDMJAEXSJ-OAQYLSRUSA-N 429.520 4.324 50 40 IIGB Cc1cccc(C)c1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408654982 RBMVPJKZYAMLRP-MJGOQNOKSA-N 431.891 4.219 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)cc1 408749718 SHEIJOSUUKPEAP-OEAKJJBVSA-N 428.897 4.180 50 40 IIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 408797345 RJFVFIJHTJSBIG-RCCKNPSSSA-N 442.471 4.363 50 40 IIGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)c1 408984326 GUKRIUGLUBCFAD-WOJGMQOQSA-N 448.475 4.108 50 40 IIGB O=C(N/N=C/c1cccc(Br)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 409006112 MCXHNPUNXGMABH-YDZHTSKRSA-N 448.748 4.105 50 40 IIGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1 409317424 PVRBZBZWGXMOEA-OAHLLOKOSA-N 429.904 4.498 50 40 IIGB O=C(c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(F)c1 2303874 IFLDVQGPLHYUNW-UHFFFAOYSA-N 440.474 4.440 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3)c2)cc1 8860736 JDKYEEULIBPSIU-OEAKJJBVSA-N 428.897 4.180 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38658363 YJSCBHZQVXKPCE-QHCPKHFHSA-N 446.434 4.280 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(OC)c3)cc2)cc1 59296992 RRYGEVUJJDXHIB-XMHGGMMESA-N 428.444 4.469 50 40 IIGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(F)cc3)c3ccccc32)C1 102647444 CDCVGDWOUSMXQC-CIWHBDSSSA-N 448.542 4.165 50 40 IIGB CC1(C)[C@@]2(Br)C=C[C@@](C)(O)[C@]13C[C@H](Br)[C@@](C)(Cl)C[C@@H]3O2 102948210 WNGMEQXERFPHIP-LRWRMMADSA-N 428.592 4.365 50 40 IIGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Br)o3)cc2)c1 408843544 LZOVDOYKDNJINC-WSDLNYQXSA-N 426.270 4.367 50 40 IIGB COC(=O)COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 409042870 DEHDTAXHMLGPJD-YUMHPJSZSA-N 439.471 4.218 50 40 IIGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc([N+](=O)[O-])ccc1O 409048159 QSYPKBPHBNORTL-BRJLIKDPSA-N 432.411 4.206 50 40 IIGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1 409316444 QGKQJOQQLLZPGJ-IMRQLAEWSA-N 428.488 4.440 50 40 IIGB Cc1cccc2nc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)OC(CCl)CCl)sc12 999875 JILVMJIBZXMCPT-KNPMLCFXSA-N 439.364 4.371 50 40 IIGB CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 1474046 WEPRANXLDBKFPN-ZVHZXABRSA-N 437.569 4.211 50 40 IIGB Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)c2cc3ccccc3oc2=O)=C1C#N 9014057 CSTOTGUJVIQPCA-QGZVFWFLSA-N 430.485 4.056 50 40 IIGB C/C(CCc1ccccc1)=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 9720652 OGHXRYXLKYOLLB-QLYXXIJNSA-N 449.576 4.002 50 40 IIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)NCc1ccco1 33910466 PYRKTOYPLVHEAQ-GATIEOLUSA-N 446.290 4.046 50 40 IIGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58652620 VUELNXGJAPFUCG-VULFUBBASA-N 448.479 4.053 50 40 IIGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc(Cl)c3)c3ccccc32)o1 409392628 MZOGZYLXVIZHHK-BRJLIKDPSA-N 435.867 4.487 50 40 IIGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9635293 ZARMJGFSXXCXAQ-RPPGKUMJSA-N 440.429 4.008 50 40 IIGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)c1 12275065 QVHSREMGVUXIBH-DYESRHJHSA-N 446.450 4.357 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)CC2=O)cc1 96594506 YCPADSMSASNFBT-IEZSBWOXSA-N 427.504 4.077 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(F)c(N2CCCC2)cc1C 107996681 DGHRJXQXEJUWFI-FSJBWODESA-N 434.309 4.269 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC#N 408746101 XHBFNQMPXQHXDI-DHDCSXOGSA-N 426.270 4.214 50 40 IIGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1 408784138 SIGOZQDVRNODEA-HKOYGPOVSA-N 445.585 4.046 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(C(=O)O)c1 408818065 XSHCMIVKORNXIC-QFEZKATASA-N 433.464 4.436 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2ccncc2)cc1 1474384 SADCBZVORWNDNT-ZMOGYAJESA-N 448.577 4.250 50 40 IIGB Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 2703024 XADYBCDLWVEQKL-PCLIKHOPSA-N 427.533 4.485 50 40 IIGB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3S[C@H](Cl)C(F)(F)F)cc2o1 12560864 QRSCSAZNGLCGOF-ZDUSSCGKSA-N 438.836 4.141 50 40 IIGB O=C(NN[C@]12CCCC[C@@H]1C=NN2C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16401000 MYEXQIPOGWCJQW-IERDGZPVSA-N 431.323 4.256 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 16728784 ZPPZPCMTJJMSJF-YHSGTQGLSA-N 442.519 4.059 50 40 IIGB COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc(Br)c1OC 28217649 BLPPSRGOOAZLQI-UFFVCSGVSA-N 437.359 4.158 50 40 IIGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(=O)O 209484327 UONAEUVJGXFJBM-VIZOYTHASA-N 449.244 4.136 50 40 IIGB O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408640934 BQPNRMBOLLAEGL-KDOFPFPSSA-N 438.282 4.256 50 40 IIGB CCOc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 408641923 DKNBCKCHKQBFSU-OXJNMPFZSA-N 447.890 4.001 50 40 IIGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 408711813 LZHMWKBQGDNSLE-XYGWBWBKSA-N 433.464 4.265 50 40 IIGB Cc1oc(/C=N/NC(=O)CSCc2ccccc2Br)cc1Br 408877909 VJYFAOAVCJQKHF-CNHKJKLMSA-N 446.164 4.497 50 40 IIGB Cc1c(Cl)cccc1-c1ccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)o1 408976495 RNZYGTRULCVHIK-WUERFNLMSA-N 435.911 4.375 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409260150 LNQSHXBLUDPRSH-QFEZKATASA-N 437.883 4.130 50 40 IIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(SC)cc3)CC(=O)N2)cc1 409332082 FWMGKCOSKDPSMJ-SFHVURJKSA-N 439.562 4.128 50 40 IIGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 706119 XQBAXSHGMLCCIW-SFHVURJKSA-N 425.261 4.301 50 40 IIGB CN(c1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 16188655 CDORYZQLEZHECO-NLRVBDNBSA-N 443.528 4.429 50 40 IIGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 408718040 DRULYHSSPRAUGF-DNTJNYDQSA-N 430.085 4.445 50 40 IIGB C#CCOc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Br)cc1OC 408807111 CBJZPQHXKYYPKO-ZSDFOQAISA-N 431.330 4.072 50 40 IIGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 408897087 VLJXXMJVPZJQET-XSFVSMFZSA-N 426.428 4.458 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1 409049733 YCWXTEDJFKFXHB-QGOAFFKASA-N 445.450 4.397 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 409375618 NBRBUOAYIWHCJO-JXAWBTAJSA-N 445.450 4.397 50 40 IIGB CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1 985838 DMKNFSFDEDPKAZ-NRFANRHFSA-N 427.508 4.452 50 40 IIGB CCC1=C[C@](C)(CC)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(C)cc1c32 9427097 UWNYCZRRQHTINH-UIOOFZCWSA-N 429.520 4.286 50 40 IIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccnc3)C3=C(CCCC3=O)N2)c1 20348007 NXEDSXPEALWOCM-JOCHJYFZSA-N 430.533 4.191 50 40 IIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)Nc2ccc(Br)cc2)cc1 408953440 POSJKAAYJMMGIJ-HMAPJEAMSA-N 426.318 4.461 50 40 IIGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)ccc1O 9693238 MBJCOWLNFSCAEY-INIZCTEOSA-N 427.913 4.274 50 40 IIGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccn1 14754050 YYZCEDAIZXNVSR-MZJWZYIUSA-N 427.382 4.325 50 40 IIGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1cccc(Br)c1 20533322 DXHDTGAXBGNEJK-MRXNPFEDSA-N 430.327 4.257 50 40 IIGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2cc(Cl)ccc2Cl)c1 33707944 KWXWGUZGHQXPQS-XKZIYDEJSA-N 442.368 4.178 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 408814326 GVTRWHBGAFDVFI-MYHJQVBBSA-N 431.330 4.072 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1cccc(C)c1 409004680 BFLCXNCORLLHHJ-XSFVSMFZSA-N 447.535 4.377 50 40 IIGB COc1ccc(C(=O)N/N=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc1OC 9390504 IFDBHQVPGDCAHL-BHGWPJFGSA-N 447.322 4.328 50 40 IIGB CCOc1cc(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)c1O 9846749 RLRRGXHBODWPHJ-OCKHKDLRSA-N 442.107 4.080 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 59254512 QHGKUGXLHHJOCY-BRVCPTFNSA-N 444.890 4.269 50 40 IIGB N#C/C(=C\c1ccc(O)cc1)S(=O)(=O)c1cc(Br)ccc1Br 9583899 ZJSMIKKYYYPGJI-NTUHNPAUSA-N 443.116 4.256 50 40 IIGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)cc1 11690308 ANLAPXULWKYOTM-LBSLPOPVSA-N 446.359 4.474 50 40 IIGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CC2(C)OCCO2)c1C 20243834 MCAITWOOAZNVHW-FSJBWODESA-N 448.361 4.077 50 40 IIGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1 30822090 XDMQZHCLZBWYFN-WSVATBPTSA-N 432.499 4.335 50 40 IIGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(C(=O)OC)cc4)cc3C2)cc1 58872007 CLMZMWBTFDTNIB-JFLMPSFJSA-N 443.503 4.156 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1C 408661622 XLVKIWACZSKBDP-PXNSSMCTSA-N 431.891 4.219 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(C)cc1 18173190 UIRMBJBTHANZRS-NCELDCMTSA-N 435.549 4.115 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 20059329 HRTGOSQRTLELCQ-LFVJCYFKSA-N 441.940 4.319 50 40 IIGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2SCc2cscn2)c1C 22894798 XGSUAMXJFNJXIZ-INIZCTEOSA-N 441.578 4.281 50 40 IIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc(Cl)c1 59447307 URBCITXLQSGPKD-CNHKJKLMSA-N 432.499 4.335 50 40 IIGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC 409053141 XTZYUNVIKOTLJP-SSDVNMTOSA-N 435.705 4.195 50 40 IIGB C#CCOc1ccccc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 409336455 SONCBCAWMLYOCN-IMRQLAEWSA-N 428.488 4.440 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)o1 2807646 WXWWXYKTOJEUAG-RVDMUPIBSA-N 446.419 4.367 50 40 IIGB C/C(=N\NC(=O)COc1ccc(I)cc1)c1ccc2ccccc2c1 9948966 VLCBILVMCDWVQG-HYARGMPZSA-N 444.272 4.364 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OCC)cc2)cc1 12275537 SDUQAECVSDKVLN-GBXCKJPGSA-N 436.533 4.127 50 40 IIGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 13562708 LHIUOKSLLYVHIM-TURZUDJPSA-N 428.536 4.483 50 40 IIGB N#C/C(=C/c1cc(Br)c(O)cc1O)C(=O)Nc1ccc(Br)cc1 408744531 LWTYGWZNSMJXQI-YHYXMXQVSA-N 438.075 4.168 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl 408746784 HBUUDEXFYRABRO-PXNMLYILSA-N 433.291 4.159 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1C#N 409147695 NKRRRALOVXSSHU-XMMPIXPASA-N 425.444 4.070 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409251136 OPXBCYHXLCZRDY-FUSDPXDGSA-N 449.457 4.047 50 40 IIGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1 409316133 XTXUTNAZNHROKA-KRWDZBQOSA-N 427.526 4.258 50 40 IIGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2ccccc2Br)cc1 704712 CCAMNSFQNUUGRB-YDZHTSKRSA-N 438.281 4.171 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 857431 JECXWIQNLBRHAY-QHCPKHFHSA-N 434.492 4.309 50 40 IIGB CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1O 2638730 KKDBZXMDGRLXCO-VGOFMYFVSA-N 426.263 4.031 50 40 IIGB O=C(Nc1nc2ccccc2s1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)OC(CCl)CCl 2762333 AEOWODMAAPJXJN-OVTCNUJSSA-N 425.337 4.063 50 40 IIGB CCN(C(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2)c1cccc2ccccc12 6176775 QEFDTGKESNCOTR-UNOMPAQXSA-N 428.444 4.072 50 40 IIGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1 8400381 OLIUXUBZEITYNA-MFKUBSTISA-N 434.517 4.295 50 40 IIGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCCn1ccnc1 9310049 VKLTZCJHLRWVPP-FOWTUZBSSA-N 425.286 4.019 50 40 IIGB COc1ccccc1C(=O)NN(C(=O)c1ccccc1OC)c1nc2ccccc2s1 9850771 OKLFGQRJNHKYRX-UHFFFAOYSA-N 433.489 4.305 50 40 IIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)o1 408590258 OKNVCZBLQVPNPK-ZMOGYAJESA-N 445.435 4.121 50 40 IIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1 408890822 ZTBRKSBQFXXOPM-XNTDXEJSSA-N 427.254 4.258 50 40 IIGB COc1ccc(C(O)(C(=O)NNc2ccc(Cl)cc2Cl)c2ccc(OC)cc2)cc1 877989 MTUCYJBYXHDXJM-UHFFFAOYSA-N 447.318 4.390 50 40 IIGB COc1ccc(Br)cc1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 9138286 CZQKZERBEGCATE-NUGSKGIGSA-N 430.224 4.039 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)NNc1cn(-c2ccccc2)nc1-c1cccs1 12377158 HYYVZYQYPPLPBG-UHFFFAOYSA-N 432.505 4.058 50 40 IIGB COc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)ccc1OCC(C)C 12912880 HYVUIZGYUNWMLF-UHFFFAOYSA-N 448.519 4.237 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 38658299 IWAGMVDHYJSJNW-QHCPKHFHSA-N 428.444 4.141 50 40 IIGB O=C(Nc1ccc(-n2ccnc2[P@@](=O)(O)c2ccccc2)cc1)c1cc2ccccc2o1 53386664 MPWZTAZISONZGB-UHFFFAOYSA-N 443.399 4.092 50 40 IIGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408796837 ZIBFDGIJYAJFDT-NTUHNPAUSA-N 449.688 4.200 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cn1 1445056 IVFGZMCAQDSINK-WYMPLXKRSA-N 438.281 4.136 50 40 IIGB COC(=O)c1cccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)c1 59501524 OXSASLPJBQNHQH-MZJWZYIUSA-N 427.504 4.374 50 40 IIGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 59536056 BOIJXGWIDXHWFA-QPSGOUHRSA-N 447.116 4.346 50 40 IIGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 408606670 ABNCOPOLJODXJA-JVWAILMASA-N 449.482 4.282 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1cc(F)c(F)cc1Cl 408729716 CEPFXGISYMNMBG-NSKAYECMSA-N 445.809 4.005 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408905898 AQVYFEQVQYZZCB-SSDVNMTOSA-N 442.368 4.033 50 40 IIGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 690794 ZGWCCCQTRLXSAJ-HRAATJIYSA-N 442.910 4.157 50 40 IIGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)C3=C2CCCC3=O)cc1 705478 KENZJXHEHYVXKI-HSZRJFAPSA-N 431.492 4.017 50 40 IIGB Cc1cc(C)n(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)n1 9884414 HKECCQAOOSVJRA-VULFUBBASA-N 438.491 4.249 50 40 IIGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 12822879 NOLZDAFSQPYVIJ-UHFFFAOYSA-N 447.804 4.101 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 13598162 SESAGUBDHSMZRY-KGENOOAVSA-N 444.607 4.472 50 40 IIGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 408605232 LCIKNELTJCXFSU-KRWDZBQOSA-N 426.885 4.158 50 40 IIGB C[C@@H](C(=O)N/N=C/c1ccccc1Cl)n1c(-c2ccccc2)nc2ccccc2c1=O 1775332 SHBBKHCPKWJFAB-WBILBPDKSA-N 430.895 4.428 50 40 IIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 9120699 HEIBYQYHUJYNJS-DRHRHSHTSA-N 425.514 4.081 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c1C 9464332 SDJNWPPVIKPNAH-LICLKQGHSA-N 436.537 4.026 50 40 IIGB O=C(COc1ccccc1Cl)N/N=C\c1cccn1-c1ccc(Br)cc1 408855161 CVIAPFACBSNLMK-UUYOSTAYSA-N 432.705 4.422 50 40 IIGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(Cl)cc1Cl 408972991 RCPVPZWQCRWWRR-FXBPXSCXSA-N 433.045 4.134 50 40 IIGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409038561 PGTFJEGJKXIHIE-PCLIKHOPSA-N 433.464 4.265 50 40 IIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1Cl 409316287 LYNLOXNELXUEBH-CFRMEGHHSA-N 433.291 4.343 50 40 IIGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 409318825 ZWOVIEYRIQNBNM-OAHLLOKOSA-N 427.913 4.059 50 40 IIGB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Br)[C@H](Br)c1ccccc1 1801226 BQTQWRLEIGQTFB-ZIAGYGMSSA-N 428.080 4.433 50 40 IIGB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 8752033 KCOYDQNLGSJZGY-UHFFFAOYSA-N 434.452 4.032 50 40 IIGB CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\NC(=O)c1cccc(Br)c1 12559963 WIOHEPQIPHJGOY-UZYVYHOESA-N 447.314 4.153 50 40 IIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)CSc2nc3ccccc3s2)cc1 33305011 DEDIZEYGDJEFPC-UCQKPKSFSA-N 435.578 4.395 50 40 IIGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 197612523 ONBNIRBZPDDTFD-SFHVURJKSA-N 441.940 4.449 50 40 IIGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC 408766109 ZKIUIZLJZGDBMP-OEAKJJBVSA-N 442.313 4.411 50 40 IIGB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2[C@H](c2ccccc2OC)CN1C(=O)CCl 1083103480 HUDAMNFSLHYBAX-XDHUDOTRSA-N 440.927 4.168 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)o1 1434890 KPXMRQJLNYOUQF-WSDLNYQXSA-N 426.270 4.367 50 40 IIGB O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc(-c2ccccc2Br)o1 8826026 AIGRAUPWKZRSRF-KEBDBYFISA-N 429.299 4.111 50 40 IIGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12735340 ONPNOKBWLYXXCY-UHFFFAOYSA-N 435.427 4.263 50 40 IIGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)c1Cl 21841188 QUHATFKRURBYFM-RHJCIUQCSA-N 433.551 4.083 50 40 IIGB Cc1cc(C)c(OCC(=O)N/N=C\c2cccc(Br)c2)c(Br)c1 30900877 CLDGHQCBXRBBMK-UKWGHVSLSA-N 440.135 4.358 50 40 IIGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1 38683201 DWJDZNBDHZSAHR-QHCPKHFHSA-N 440.455 4.219 50 40 IIGB CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 103071512 UUPGMLSMMQJYPY-NYFQMKNCSA-N 425.573 4.295 50 40 IIGB CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc([N+](=O)[O-])c1O 409369596 QMTWUSYUZKJBGF-QPEQYQDCSA-N 436.205 4.368 50 40 IIGB CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@@H]1c1ccc(Br)cc1F 994181 OBJUTASPKNZHLE-KRWDZBQOSA-N 443.272 4.370 50 40 IIGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2161481 MIKURTOAPRCZGW-CVKSISIWSA-N 446.507 4.485 50 40 IIGB CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2754308 VMYAAKBYRZDHNP-CVKSISIWSA-N 434.462 4.421 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 5945451 CFHQVMYBYQPYGB-VWLOTQADSA-N 444.922 4.387 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408786027 FHVSBNQVKRYROV-APSNUPSMSA-N 429.860 4.267 50 40 IIGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408790738 YCLPIOKMMVUCEZ-NTEUORMPSA-N 429.270 4.274 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCC(=O)OC 408811467 LNHVJMJERYDIIM-PDGQHHTCSA-N 438.455 4.050 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 409200331 KUDCNOYDFBPNBD-VEDIRDOVSA-N 434.883 4.203 50 40 IIGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1 409370066 KJUZXZIFRZOARK-QFEZKATASA-N 437.883 4.130 50 40 IIGB O=C1c2ccccc2C(=O)C1(CI)c1ccc(Br)cc1 2117969 LYHNBLDDZAWXHL-UHFFFAOYSA-N 441.062 4.201 50 40 IIGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc2cc[nH]c12 2218358 ROOYYBCPYKSNAY-DNTJNYDQSA-N 437.091 4.162 50 40 IIGB N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 12275098 ZNVQPHSBYBWDED-UZLBHIALSA-N 434.414 4.488 50 40 IIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(Br)cc2)c1C 12786531 BQDRFXMGDQBTEL-IYSPOMMRSA-N 430.346 4.298 50 40 IIGB Cc1ccc(C)c(Sc2ncccc2C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1 25536241 UFAAFAQJQRCSQT-UHFFFAOYSA-N 430.533 4.335 50 40 IIGB CCOC(=O)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1 97957402 UYMZZYLECILSGL-UHFFFAOYSA-N 429.294 4.389 50 40 IIGB O=C(NNC(=O)[C@@H](CC1CCCCC1)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1 1393038 TWMIBIALAUCFRL-OAQYLSRUSA-N 439.943 4.096 50 40 IIGB Cc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1 2705725 QSWHOMYCZSGLTO-CVKSISIWSA-N 442.544 4.245 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1OC 9693255 XRAMNVOSGPWSTE-SFHVURJKSA-N 439.512 4.452 50 40 IIGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 12629487 ITIQPSHBAYLBNB-YZSQISJMSA-N 446.463 4.308 50 40 IIGB Cc1cc(C)c(OCC(=O)N/N=C\c2c(O)ccc3ccccc23)c(Br)c1 20100963 QWOBYQGEIUYVJL-KSEXSDGBSA-N 427.298 4.454 50 40 IIGB O=C(Cc1ccc(N(CCCl)CCCl)cc1)Nc1cc(F)c(F)cc1[N+](=O)[O-] 98007155 UEPVEMJQAOBAIX-UHFFFAOYSA-N 432.254 4.338 50 40 IIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CC2(C)SCCS2)o1 408592069 XJOSLJPLUFRGIK-LPYMAVHISA-N 426.567 4.477 50 40 IIGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Br)cc1 1437779 ZDUALHAWTYCGNX-AWQFTUOYSA-N 429.101 4.235 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 13013665 RYRHVJFJGAGKMD-WGOQTCKBSA-N 426.476 4.320 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1 33685008 YOFTUGSMGMMKKW-FOKLQQMPSA-N 428.828 4.079 50 40 IIGB Cc1ccc(OCCn2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c3ccccc32)cc1 33880115 DJQGMAIXEXLLSW-QHCPKHFHSA-N 425.492 4.278 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 59335245 YVQGAEUOPOEAAW-MLPAPPSSSA-N 449.688 4.420 50 40 IIGB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@H]2Br 104129633 UEBHWEPVVUTSES-DDYGQXQVSA-N 449.781 4.174 50 40 IIGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 409137714 YNNAHJAPSIYRCR-XMMPIXPASA-N 429.520 4.394 50 40 IIGB Cc1cc(O[C@@H](C)C(=O)N/N=C/c2ccc(O)c(Br)c2)cc(C)c1Cl 943336 WSEGXTFLSHGUEN-NLTBIBMSSA-N 425.710 4.343 50 40 IIGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(CSc2ccccn2)c1 8691102 GXCLZQFJPFRDEH-JOCHJYFZSA-N 449.532 4.193 50 40 IIGB CC/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 12649658 CUAHXLVBJHEPQY-SHHOIMCASA-N 449.576 4.360 50 40 IIGB O=C(N/N=C/c1ccco1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13146122 WIBZGLCIRDEJCM-SRZZPIQSSA-N 438.292 4.151 50 40 IIGB CC(=O)Oc1ccccc1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12 13898255 GHTWUXLZHLSDPS-YDZHTSKRSA-N 425.282 4.220 50 40 IIGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc(F)c(N4CCCC4)cc3C)oc12 33779273 YTHHJLAQDVUZMK-WYMPLXKRSA-N 440.431 4.161 50 40 IIGB NNC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(I)c1 226334985 KIDLMJDSROBTHA-PKNBQFBNSA-N 444.272 4.027 50 40 IIGB C[C@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 408608239 GWVBSJCOVLGUNZ-AEIQVQRHSA-N 435.911 4.247 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CCN(C(=O)c2ccccc2)CC1 409004874 FWAKTCNZIOAVBQ-TURZUDJPSA-N 441.531 4.268 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC#N)c(Br)c3)cc2c1 409187111 MEWMOQCIJWRZPV-FMCGGJTJSA-N 442.269 4.260 50 40 IIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409366883 ZYABXXAILNKIRO-DHRITJCHSA-N 438.871 4.389 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Cl)c1OCc1cccc(F)c1 661010 VWJOMQZEKGOFFW-LJQANCHMSA-N 440.862 4.316 50 40 IIGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Br)cc1F)C(C#N)=C(N)O2 989273 NHUIRMBSOHMKFP-SFHVURJKSA-N 425.261 4.301 50 40 IIGB Cc1ccc(-n2nc(C)c([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2Cl)cc1 989338 XIBTXHFXFBAOLW-IBGZPJMESA-N 444.878 4.467 50 40 IIGB Cc1cc(C)c(NC(=O)CCC(=O)N/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)c(C)c1 14406242 JAMXPWOIMQOORA-MFKUBSTISA-N 447.495 4.180 50 40 IIGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 20086073 OJMSNJPDMMYDOH-QHCPKHFHSA-N 435.483 4.336 50 40 IIGB COc1cccc([C@@H]2CC(=O)N3CN(CCc4sccc4C)CSC3=C2C#N)c1 20348157 NKIGHESSTWYUCT-SFHVURJKSA-N 425.579 4.323 50 40 IIGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1cccc(Br)c1 59249726 YELPSOHLCYBFLI-VXLYETTFSA-N 441.123 4.169 50 40 IIGB C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1ccc(Br)cc1 59369581 IDFKTQKVJISTAQ-RGVLZGJSSA-N 425.124 4.164 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 108259268 GUDQFLQGTKDLAF-DICXZTSXSA-N 449.482 4.314 50 40 IIGB COc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2)cc1Br 655453 QZIDGGGIAHEBOU-DJKKODMXSA-N 426.108 4.293 50 40 IIGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 2422706 WPHXCCJNQDFAHB-KNTRCKAVSA-N 442.519 4.405 50 40 IIGB BrC[C@@H](Br)[C@@H]1CC[C@H](Br)[C@H](Br)C1 8585918 PQRRSJBLKOPVJV-ULAWRXDQSA-N 427.800 4.472 50 40 IIGB in-vitro CCCn1c(SCC(=O)NNC(=O)c2ccccc2)nc2ccc(C(F)(F)F)cc21 23475868 MACZPKXSIRJBIK-UHFFFAOYSA-N 436.459 4.018 50 40 IIGB CCCCN1C(=O)[C@@]2(C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)c2ccccc21 49947103 BPWRAPXDZHDDOD-XMMPIXPASA-N 425.517 4.126 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 59500484 OWHCLTBMBGTAJG-MYYYXRDXSA-N 447.447 4.285 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c(OCC)c2)c(C#N)c1C 408546699 NCTSQKRYJZZVBL-CXUHLZMHSA-N 438.505 4.231 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2)cc1 408937177 MWTMOVZBNQTQEZ-AQTBWJFISA-N 436.464 4.448 50 40 IIGB C[C@@H](C(=O)NN=C1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026255 KBCBOIQQMPHYLL-KRWDZBQOSA-N 429.542 4.070 50 40 IIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccccc3Cl)o2)c1 409166269 CLZSQNCSLIQEMV-ZMOGYAJESA-N 426.856 4.306 50 40 IIGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1 2215045 JLVHXYDUHJWDEU-AFUMVMLFSA-N 448.935 4.282 50 40 IIGB CCCNC(=O)[C@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C 2666666 QHSXTJMUCBVYHE-CKLFPEKLSA-N 446.021 4.198 50 40 IIGB C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc(F)cc1N1CCCC1 12539000 RESMYZGOHABJBT-OEAKJJBVSA-N 434.309 4.108 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 58911745 XDUZGHBUSYQJON-LGJNPRDNSA-N 443.334 4.167 50 40 IIGB N#CC1=C(N)N(Cc2ccccc2)C2=C(COC/C2=C/c2cccnc2)[C@H]1c1cccnc1 101669156 IPWZEAJGWAMAMY-VCDQAHEJSA-N 433.515 4.138 50 40 IIGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(COc2cccc3cccnc23)cc1 102315733 WJHPDEWJUNPYDV-YYWHXJBOSA-N 446.576 4.111 50 40 IIGB CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(OCC)c1 408566667 AWFFYYDQPOLDKM-OEAKJJBVSA-N 446.594 4.492 50 40 IIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408779553 YJAFEZKYKJADDM-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408894432 IANMXIIYDXQLKS-LICLKQGHSA-N 431.379 4.499 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC 408970459 IGGJEMSUFJFIBU-FSJBWODESA-N 438.311 4.270 50 40 IIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)O 408992174 SEQOFMIBWXFKCH-QPEQYQDCSA-N 449.688 4.420 50 40 IIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(I)c1 1507640 QMDLSDFMQHSXJW-CNHKJKLMSA-N 435.048 4.068 50 40 IIGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CO2 12341861 MKYCWMJPNVJJQQ-GHJVFANLSA-N 449.463 4.442 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1 30822078 LZXSFVGFKUWIJJ-MXAYSNPKSA-N 426.831 4.471 50 40 IIGB COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccc(C)cc1 30843322 PUOUGCMAYSVHCS-DICXZTSXSA-N 446.503 4.369 50 40 IIGB O=C(NNc1cccc(OCc2ccccc2Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 408613145 ZLFAPXLOWUAZPZ-GOSISDBHSA-N 435.911 4.415 50 40 IIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)NCc1ccccc1 408765534 YIBKTSBGNUYTMP-XMHGGMMESA-N 427.416 4.037 50 40 IIGB COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2c1 408854872 AOTQBMWRQAYYJV-SILNSSARSA-N 427.504 4.113 50 40 IIGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1 408922934 HQARVSPMSXILNH-XDJHFCHBSA-N 448.500 4.317 50 40 IIGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c([N+](=O)[O-])c1 4090805 BFWPDSLXRQYQEM-BOPFTXTBSA-N 432.436 4.262 50 40 IIGB Cc1ccc(-c2nn3c([n+]2-c2ccccc2)SC[C@@H]3CI)cc1 33704777 YXOAWFPWIRWRAV-INIZCTEOSA-N 434.326 4.217 50 40 IIGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 103916667 BYAIZKXUCCJQJB-QJOMJCCJSA-N 442.494 4.275 50 40 IIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C 408586408 BSHLIGVYSRQQLN-ZMOGYAJESA-N 440.887 4.357 50 40 IIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Br 408829254 OULDODKMDWLKJY-VXLYETTFSA-N 425.124 4.042 50 40 IIGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cccs1 408881563 MZWQARQRVUTQEZ-FBCYGCLPSA-N 443.337 4.259 50 40 IIGB O=C(N/N=C/c1ccccc1F)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408973384 MHWMZDAIFZTVBX-VMBKIOOXSA-N 447.535 4.406 50 40 IIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409185471 LSJRXGZCIYTOCQ-ZMOGYAJESA-N 439.855 4.356 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)n1 409245830 ZPFHPEFJBKQBBG-FBHDLOMBSA-N 445.342 4.358 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1Cl 409302383 IMAGFBUNUQWSOJ-OAHLLOKOSA-N 435.977 4.066 50 40 IIGB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCBr)cc1 9010548 WQMQWFZMJPLODG-GOSISDBHSA-N 430.298 4.059 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)cc1 9261868 LRDMLHCUIGHZCR-MZJWZYIUSA-N 432.455 4.046 50 40 IIGB CCC1=C[C@](C)(CC)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(C)cc1c32 9427095 UWNYCZRRQHTINH-IZZNHLLZSA-N 429.520 4.286 50 40 IIGB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)NNC(=O)c1ccco1 12469707 TXBJMNGPTDSJAB-UHFFFAOYSA-N 444.925 4.158 50 40 IIGB COc1ccc(/C=N/NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c(OC)c1OC 13331865 ZHCLHDYGJNAUAT-ZVBGSRNCSA-N 449.872 4.253 50 40 IIGB CCCOCCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccccc1OC(F)F 19815916 QDGZMRRUPMAZGW-GOSISDBHSA-N 438.496 4.317 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(C)cc1 408718621 KKUUZDVNZZKRCW-QQXSKIMKSA-N 432.476 4.385 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCC#N 408796211 OOCOPZNNWWWEBR-NTEUORMPSA-N 442.269 4.001 50 40 IIGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 859088 ZPAZOHVYTVCLAG-GOSISDBHSA-N 434.945 4.284 50 40 IIGB O=C(NNC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Cl)cc1 2400863 FQQSAUIGOUBBTF-UHFFFAOYSA-N 434.304 4.203 50 40 IIGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 12629438 KUIWDQHEHYKNEP-WYMPLXKRSA-N 438.311 4.074 50 40 IIGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccc(N(C)C)cc2)c2ccccc21 38168862 LWJZKDMCBRLIGX-PNHLSOANSA-N 449.599 4.093 50 40 IIGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3cccs3)c3ccccc32)C1 103859451 PZMPNDUYIXCHDL-WMRNZJHFSA-N 436.581 4.087 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c1 408965840 IZFPMGSNIVSGJD-MZJWZYIUSA-N 432.455 4.046 50 40 IIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2)cc1 409006591 PTSGYUXKVXWFHC-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)O 409046733 LNHILTUMSZOKTO-VGOFMYFVSA-N 447.241 4.284 50 40 IIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409160759 IYGIUCPQPOISQM-UVHMKAGCSA-N 429.451 4.250 50 40 IIGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1C 409196926 SKTPPINCLUKMSW-UUXIJQDSSA-N 443.503 4.219 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1O 714142 WCYIDYMHTCWAMD-JOCHJYFZSA-N 433.483 4.481 50 40 IIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1[N+](=O)[O-] 12555878 FETOESSSFZHPMC-GXDHUFHOSA-N 428.242 4.468 50 40 IIGB COc1ccccc1OCCCOc1c(/C=N/NC(=O)c2ccccc2)cccc1OC 13897408 RODJBWVTGQWNQK-NLRVBDNBSA-N 434.492 4.316 50 40 IIGB CCCCOc1ccc(C(=O)NNC(=O)CCCC[C@@H]2CCSS2)cc1OC 21556489 GSTSBKGEMGCQGG-MRXNPFEDSA-N 426.604 4.349 50 40 IIGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(O)(c1ccccc1)c1ccccc1 33301397 JWEFSTNFERXGNP-ONUIUJJFSA-N 441.443 4.241 50 40 IIGB CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(C#N)=C(SC)N[C@]1(O)c1ccccc1 34714509 KHKYGIMJQVADDJ-KNKQGSTJSA-N 428.941 4.150 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)cc3)o2)ccc1Cl 408724344 BTFWOGZQMZNEDR-ZMOGYAJESA-N 426.856 4.088 50 40 IIGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1cc2cc([N+](=O)[O-])ccc2o1 408905060 SNSIJXFTRNNREN-GXHLCREISA-N 438.621 4.226 50 40 IIGB CCOc1cc(Br)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC 409123594 HLOGAFLHAVEYBA-SFHVURJKSA-N 433.302 4.061 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCCn1c([N+](=O)[O-])cnc1C 9492039 HOJHOJQRYPMLSM-DEDYPNTBSA-N 446.463 4.367 50 40 IIGB CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(C3SCCCS3)cc2)cc1 12871347 LWEHLULFSDJDMX-UHFFFAOYSA-N 446.594 4.183 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccnc1 19826126 UNKMHEBMUONEJC-NLRVBDNBSA-N 442.548 4.270 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccccc1 20176014 IWMJMZWDZNKENS-WGOQTCKBSA-N 434.492 4.445 50 40 IIGB CCOc1ccc([C@H]2CC(=O)N3CN(Cc4ccc(OC)cc4)CSC3=C2C#N)cc1 20348022 QIQRURLBWAJNAW-OAQYLSRUSA-N 435.549 4.309 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)o1 408675896 CEPDUKKYGRJASY-BUVRLJJBSA-N 434.452 4.228 50 40 IIGB N#C/C(=C/c1cc(Cl)cc(I)c1O)C(=O)Nc1ccccc1F 408810386 IVPGQOTVRIQQHD-YHYXMXQVSA-N 442.615 4.335 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)ccc1Cl 409350595 UFJQZIROHHACHK-BHGWPJFGSA-N 440.839 4.269 50 40 IIGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2)cc1 4132019 XASAQGOCWSMVNR-RQFMOZSRSA-N 430.504 4.387 50 40 IIGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c(C)c1 8874031 QGAVBYBEEBYYFU-UHFFFAOYSA-N 429.929 4.351 50 40 IIGB CCCn1cc(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21 10118662 QDDOSMDQQNNSCD-CIAFOILYSA-N 431.277 4.420 50 40 IIGB Cc1cccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)c1 12462786 ZAZJUVLTCAIUKH-AREMUKBSSA-N 442.494 4.181 50 40 IIGB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NNC(=O)c1ccc(F)cc1 13940703 GYEJIJFEXLSHCB-UHFFFAOYSA-N 431.467 4.198 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)c(C)c2Cl)c1 16249896 OUHAOWRBXVGGDX-BHGWPJFGSA-N 438.311 4.454 50 40 IIGB O=C(CCSCCC(=O)N/N=C/C=C\c1ccccc1)N/N=C\C=C/c1ccccc1 17149418 XJIDPSLTNBKHTD-LAJUMHNNSA-N 434.565 4.131 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OC 59483961 WHLKFROWIORKOD-ZSOIEALJSA-N 448.260 4.163 50 40 IIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 59678613 MSLJPHPPXLMQSM-UKWGHVSLSA-N 443.459 4.345 50 40 IIGB CC(C)(C)[Si](OCCCCCCC[C@H]1N[C@@H]1CO)(c1ccccc1)c1ccccc1 169807305 BGUXLCIDVLNRLF-JWQCQUIFSA-N 425.689 4.236 50 40 IIGB Cc1ccc(Cn2nc(C)c(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)cc1 9635199 ZPCOGIJUDSNQNL-KVSWJAHQSA-N 443.473 4.438 50 40 IIGB C/C(CC(=O)NCCCc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl 12464080 VIMKFYFTBLUFKO-MFKUBSTISA-N 436.339 4.003 50 40 IIGB CC/C(=N/NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 33668237 CUAHXLVBJHEPQY-LCUIJRPUSA-N 449.576 4.360 50 40 IIGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 408877962 ZBZGCWFCTXIVMV-WUXMJOGZSA-N 438.652 4.499 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1 408933854 ANDSSSAEQLMZKD-DHRITJCHSA-N 438.915 4.153 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(CC)cc3)=C2C#N)cc1 409313666 QOKWOSLPZXXALC-HXUWFJFHSA-N 435.549 4.358 50 40 IIGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 657917 TXLLMHIWIACOAD-OVVQPSECSA-N 439.471 4.469 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 850027 RUVUMXPKZVOQMZ-SFHVURJKSA-N 430.851 4.159 50 40 IIGB C[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Cl)c1Cl 2121966 MRUGUCZPQZIHBC-KWRYHKOTSA-N 444.318 4.180 50 40 IIGB CCSc1nc(NNC(=O)c2ccc(OC)cc2)c2c3c(sc2n1)COC(C)(C)C3 2417976 QRKYORJHZKXZQM-UHFFFAOYSA-N 444.582 4.420 50 40 IIGB COc1ccc(/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2)cc1OC 14923263 OGTYYYFYBQYMIV-TYHATZGUSA-N 430.460 4.087 50 40 IIGB biogenic COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccccc1 83311822 AZLJUQYSDAQSOS-QGOAFFKASA-N 436.445 4.435 50 40 IIGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1C 408708621 RMFWBXRESAZTSL-CHOFVFFHSA-N 445.361 4.174 50 40 IIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1 409241885 PCACGOCAYFQZJR-PKAZHMFMSA-N 439.471 4.372 50 40 IIGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1OC 409323275 MYEHGGRRPXWTSG-YSMPRRRNSA-N 448.475 4.135 50 40 IIGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccccc1NS(=O)(=O)c1cccs1 6146928 GLZAPCZDEKZVQJ-SRZZPIQSSA-N 437.905 4.105 50 40 IIGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 12042985 YGYWIFWIKTWLKV-HXUWFJFHSA-N 448.460 4.163 50 40 IIGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CSc1nc2ccccc2s1 13141441 KWRTZBXNUZMEPU-UHFFFAOYSA-N 440.575 4.282 50 40 IIGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCC(C)CC1 13943482 VAEAYWXKUJORPU-UYRXBGFRSA-N 430.508 4.273 50 40 IIGB Cc1cccc(NC(=O)Cn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)c1 32109627 IHSYGPXQWRYNHP-CPNJWEJPSA-N 438.487 4.405 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2cccc(C)c2)ccc1OCc1cccc(C(=O)O)c1 408859355 WIBSAICKINFTBU-QFEZKATASA-N 433.464 4.436 50 40 IIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408943452 SQWBAUKJEAYOQM-DHRITJCHSA-N 438.915 4.153 50 40 IIGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1 409309473 HWQMDZFNOHMHEQ-HXUWFJFHSA-N 449.601 4.065 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1 409330579 BPCSALNUXCFHFO-KRWDZBQOSA-N 441.940 4.368 50 40 IIGB O=C(NN[C@H]1[C@@H]2CCCCC2=NN1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16401012 SRMILFYQFOMNHD-IEBWSBKVSA-N 431.323 4.256 50 40 IIGB COC(=O)c1c(NC(=S)NNC(=O)c2csc3ccccc23)sc2c1CCCC2 19643923 JTYALZDDRPECJL-UHFFFAOYSA-N 445.591 4.260 50 40 IIGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1CN1CCOCC1 20829011 PBHPMNFAJHSGKQ-ZMOGYAJESA-N 443.956 4.159 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl 58911799 SVTSWHZSGOTFKW-LGJNPRDNSA-N 443.334 4.167 50 40 IIGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)COc1ccccc1Cl 100059434 ZVFTTYQAJHQJPV-BRJLIKDPSA-N 427.810 4.259 50 40 IIGB C#CCOc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)cc1OC 408807103 CBJZPQHXKYYPKO-MYHJQVBBSA-N 431.330 4.072 50 40 IIGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OC 409359230 ALOVXNTWOHIEBI-ACAGNQJTSA-N 435.217 4.101 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccs1 16136886 FRPQJUQJZPFZTP-PXLXIMEGSA-N 447.969 4.137 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(Br)cc1 59255480 HRCXGHCVEHTKGX-MHWRWJLKSA-N 427.298 4.222 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc(Br)c1 408570792 YOYOHTMBBWVGGX-RGVLZGJSSA-N 437.384 4.457 50 40 IIGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 1241116 LYTDBXDHUYEGJS-YDZHTSKRSA-N 443.960 4.260 50 40 IIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 1994507 VOEODXIAWOVUBB-YDZHTSKRSA-N 429.392 4.415 50 40 IIGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1 2211570 YIAGYQPNZMFASB-HXUWFJFHSA-N 426.538 4.057 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)sc2c1CCCC2 2708504 BDRXVTPOTKBCIF-GXDHUFHOSA-N 426.494 4.063 50 40 IIGB O=C(N/N=C/c1ccccn1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 3765530 MGVJPXAGRALGML-OPEKNORGSA-N 442.426 4.174 50 40 IIGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1F 59386486 ZFSIDTQAODUXID-DHRITJCHSA-N 425.847 4.147 50 40 IIGB CCO[P@](=O)(c1ccccc1)c1nc(-c2cccc(Cl)c2)oc1N1CCOCC1 101434015 MLLHOPQYRZLELX-GDLZYMKVSA-N 432.844 4.097 50 40 IIGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1C 408708622 RMFWBXRESAZTSL-XMTZNVEYSA-N 445.361 4.174 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1C 408796376 AENDORWUXSSNAQ-DEDYPNTBSA-N 429.476 4.137 50 40 IIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408797047 QUOWPDGDZWHRIQ-NTUHNPAUSA-N 435.263 4.099 50 40 IIGB Cc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)NCc1ccccc1 409255957 MSLABMKSTHWLPL-PXLXIMEGSA-N 425.488 4.236 50 40 IIGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(C)cc3)cc2)cc(OC)c1OC 2020926 GZFSCURCCGSYMN-CVKSISIWSA-N 447.491 4.037 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)sc2c1CC[C@H](C)C2 11689770 SAPGKLJGSXEQAH-OJNRTJSBSA-N 440.521 4.309 50 40 IIGB C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 58882934 WVYJHQFZVRYAPG-QVMKDISWSA-N 435.911 4.360 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(C#N)c1C 408547139 RTGDSHUUEWJQLG-CXUHLZMHSA-N 438.505 4.231 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)ccc1Cl 408598459 AVVBGSNTCOSOBJ-SSDVNMTOSA-N 427.800 4.059 50 40 IIGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1ccccc1Cl 408787521 BFHAPSHPGNYSGE-KPKJPENVSA-N 435.661 4.112 50 40 IIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccco1 409000052 WVODGDDYUJUPTE-MFKUBSTISA-N 443.415 4.108 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1ccc(Cl)cc1Cl 4091330 XANZXERJEVIAOY-ZMOGYAJESA-N 435.355 4.254 50 40 IIGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 4156340 KNPMUQANTHLPMD-WGARJPEWSA-N 435.867 4.475 50 40 IIGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 8757574 SESAGUBDHSMZRY-STZFKDTASA-N 444.607 4.472 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1OC 9283488 SNOJTGHRVIKTEE-MFKUBSTISA-N 446.532 4.311 50 40 IIGB CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)o2)ccc1Cl 28616194 OSKOAUMNVOZBGK-LFIBNONCSA-N 438.867 4.389 50 40 IIGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 38683184 VHULBEOSCJOLMK-HSZRJFAPSA-N 440.455 4.219 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)ccc1Cl 408599491 VPNALLSHKRMVAB-FSJBWODESA-N 441.827 4.449 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c1 408759418 DRHDBNNUDSSBQX-XMHGGMMESA-N 448.500 4.317 50 40 IIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(I)c1 409098179 OAJJVEOLKQGUJQ-VXLYETTFSA-N 428.657 4.107 50 40 IIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1ccc2c(c1)OCO2 985577 OLSFFIBEKCLNFA-INIZCTEOSA-N 427.247 4.330 50 40 IIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2ccccc2)cc1 1478258 UQNPEICXCZVCGF-ZVHZXABRSA-N 447.520 4.087 50 40 IIGB O=C(/C=C/c1ccco1)Oc1ccc(/C=N\NC(=O)c2ccccc2-n2cccc2)cc1 30802652 NLIJFICGMRMBSP-SHJQADNRSA-N 425.444 4.453 50 40 IIGB O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 68774501 ISWVBZXCMGYYOW-AWEZNQCLSA-N 425.838 4.354 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)c1 408742860 TUZMMLHYZHFCHS-WUXMJOGZSA-N 432.230 4.007 50 40 IIGB COc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409006128 MKCNVHZVGPQRAN-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)NCCCc1ccccc1 409238359 NEHWIYDROUBXDB-HKWRFOASSA-N 428.448 4.438 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2C)c1 409260365 PIJNTWSGVFKQST-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1 409332737 HYDNSDXDUPAJHD-KRWDZBQOSA-N 427.913 4.059 50 40 IIGB COc1ccc(CCNC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(Cl)cc2)cc1OC 17100841 YKZLBBIMSAAKGQ-ATVHPVEESA-N 436.899 4.013 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccccc1Br 24539352 SUTXDGXTFDABNL-YDZHTSKRSA-N 426.314 4.386 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 59433890 VDHCHNCJBWKXAR-BHGWPJFGSA-N 425.794 4.012 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(I)c1 408782408 HVOQPJQPHKRVFV-YVLHZVERSA-N 446.288 4.302 50 40 IIGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12 409251044 ZQFWWQOUBJOTBQ-DICXZTSXSA-N 428.467 4.112 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(C)cc1 4259659 DLQWRURUSIFZOQ-JFLMPSFJSA-N 446.503 4.369 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1OCC(=O)O 59248477 YRYCDXGIHBVUNL-MFOYZWKCSA-N 440.883 4.395 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)cc1 408795041 KWECUCZMUSSUSW-HYARGMPZSA-N 437.455 4.470 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC 408967573 RAYMGUYQJRZPJB-WYMPLXKRSA-N 446.276 4.187 50 40 IIGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1ccc2ccccc2c1 889168 ZVDGZAWVDJIVGO-SRZZPIQSSA-N 428.242 4.040 50 40 IIGB COc1ccc(C(=O)N/N=c2/oc3ccc(OC)cc3cc2-c2nc3ccccc3[nH]2)cc1 27496736 HMCMTLPQCIDEJD-XLVZBRSZSA-N 440.459 4.239 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 59281962 SYKPHOLLYAZRHA-LDADJPATSA-N 443.415 4.368 50 40 IIGB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(SC#N)cc4s3)C2=O)cc1C 103732633 SVKNVUPLHSJCSJ-OQLLNIDSSA-N 449.517 4.065 50 40 IIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(OCC)ccc2ccccc12 408906026 AFSATDTZMLCIIE-XBIXJXDHSA-N 433.508 4.046 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)n1 726190 KKOGWWLSMHCVIJ-FOKLQQMPSA-N 427.961 4.397 50 40 IIGB CCOC(=O)c1csc(N(NC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)n1 1415197 SJXZZUOHUCVQRC-UHFFFAOYSA-N 444.900 4.357 50 40 IIGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)cc1 2408309 LTVZVSICABNBSD-XDJHFCHBSA-N 428.492 4.023 50 40 IIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 14152181 DPXJNIUAQVZNSP-SFQUDFHCSA-N 431.517 4.455 50 40 IIGB Cc1c(Cl)cccc1NC(=S)NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 16045775 XEHMDGUTTJVMDG-UHFFFAOYSA-N 439.155 4.217 50 40 IIGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1cccs1 30843584 QMEXXVYZKZCBDP-CFRMEGHHSA-N 438.505 4.122 50 40 IIGB C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1 195766975 ZBXBDQPVXIIXJS-UHFFFAOYSA-N 430.830 4.069 50 40 IIGB COc1ccc(C2(C(=O)Nc3ccc(OCCBr)cc3)CCOCC2)cc1 225584041 UODZWYOLQCGWSV-UHFFFAOYSA-N 434.330 4.156 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1cccc(Br)c1 408590948 RLPGSQTXQCUXTP-IYHCKTHZSA-N 426.314 4.040 50 40 IIGB CCOc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 408641920 DKNBCKCHKQBFSU-JXFKEZNVSA-N 447.890 4.001 50 40 IIGB O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccco2)cc1 408840127 XUCSZILMRDLLIZ-MFKUBSTISA-N 443.415 4.108 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)cc2OC)cc1 408745684 UYZFRSPSBKHSBL-ZROIWOOFSA-N 431.286 4.411 50 40 IIGB Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)s1 1477825 LQSDXNBXDNMXFJ-ZMOGYAJESA-N 448.573 4.306 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)o2)cc1 2362428 VCMZMFRALLAKPN-ZMOGYAJESA-N 426.856 4.306 50 40 IIGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\C=C\c4ccccc4)c(=O)c23)cc1 6166667 RGKPNPPAPLMZFL-YJCALEFHSA-N 428.517 4.249 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 9203467 PUOHSKOTKFGUNN-WSDLNYQXSA-N 427.254 4.100 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)o2)ccc1Cl 33663140 ZEVHZVSGMYCRDO-JJFYIABZSA-N 427.800 4.059 50 40 IIGB COc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3Cl)c3ccccc32)cc1OC 46085080 RRVBHVJXACPSJJ-ROMGYVFFSA-N 449.894 4.038 50 40 IIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 59366763 XBUZUQRFWILMEJ-LKUDQCMESA-N 435.549 4.007 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)ccc1O 104164644 MTFZAUVVMHFUGA-QFEZKATASA-N 437.883 4.461 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)o1 408541438 CQPPAZOLCGCBNM-UVTDQMKNSA-N 433.376 4.107 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(C)n1-c1ccc(F)cc1 408590522 PIMTZVMPERWQHY-FOKLQQMPSA-N 430.277 4.465 50 40 IIGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 409309442 HGTFYIYUXKBBNK-MYYYXRDXSA-N 449.463 4.345 50 40 IIGB Cc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 409311393 GFEHGSBNXKNUPH-GOSISDBHSA-N 425.941 4.037 50 40 IIGB COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)cc1 1056972 CHJLHPNCAWYGSV-QHCPKHFHSA-N 443.503 4.365 50 40 IIGB CCOC(=O)c1c(CBr)n(CC)c2cc(Br)c(OC(C)=O)cc12 1103283 MUKNZBGTSYBGOH-UHFFFAOYSA-N 447.123 4.421 50 40 IIGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)ccc1Cl 2404995 HFWGMSZBZFDGDI-SAPNQHFASA-N 448.910 4.368 50 40 IIGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CSc2nc3ccccc3[nH]2)cc1 8825191 IWFXUORJYHTJBS-WYMPLXKRSA-N 430.489 4.348 50 40 IIGB Cc1cc(C(=O)NNC(=O)c2ccccc2F)c(C)n1-c1cccc(Br)c1 58175075 BPXKXLGMMYDQCF-UHFFFAOYSA-N 430.277 4.071 50 40 IIGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cccc2ccccc12 101136863 XIYJDDUHBFUXPS-TUVASFSCSA-N 437.131 4.266 50 40 IIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409243189 QDNZBBLZICSCRD-WGARJPEWSA-N 439.874 4.189 50 40 IIGB CSc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 409268139 QJVYXNDUNKZIFK-FYJGNVAPSA-N 434.359 4.430 50 40 IIGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(F)cc2)nc2ccccc2c1=O 1477801 IKGIYPRKWBDCRR-VULFUBBASA-N 446.507 4.076 50 40 IIGB Cc1ccc(NCC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1C 96576827 FTJBCYZRKMQUIH-GATIEOLUSA-N 425.872 4.477 50 40 IIGB O=C(N/N=C/c1cc(Br)c(O)c(O)c1Br)c1ccccc1Cl 1433427 JZXFOIZEDUARRQ-NGYBGAFCSA-N 448.498 4.040 50 40 IIGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccc(F)c2)nc2ccccc2c1=O 1477829 CQSIZCNRSRGNFQ-VULFUBBASA-N 446.507 4.076 50 40 IIGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(Br)c1 9311780 VHLFRGNNIHPAQM-SSDVNMTOSA-N 441.241 4.309 50 40 IIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 13567714 IEOSJUOOZJFJTQ-VWLOTQADSA-N 444.922 4.368 50 40 IIGB Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(C(=O)NNc2ccccc2)cc1 16265525 ZHZUVJQYIZYPDC-UHFFFAOYSA-N 443.532 4.426 50 40 IIGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1)c1ccccc1 28213855 KVYSLHIPQHUDKM-JHKMYFMNSA-N 447.560 4.185 50 40 IIGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccncc1 32576846 SSPBWHOJJCLFRD-MXAYSNPKSA-N 435.940 4.375 50 40 IIGB O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 59433808 RHJUWKVAXVEWKD-OEAKJJBVSA-N 438.281 4.330 50 40 IIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1OCc1ccccc1 89471511 USCUVRUZHIFCAY-PDGQHHTCSA-N 445.431 4.434 50 40 IIGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408818167 ZMVXEDSLNNEGEI-QRVIBDJDSA-N 441.281 4.370 50 40 IIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccccc1-n1cccc1 408887840 UHLADVNWBBMGFB-XIEYBQDHSA-N 445.500 4.009 50 40 IIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OS(=O)(=O)c1ccc(C)cc1 408898190 VMWJXKLYCVBBGA-XDJHFCHBSA-N 448.500 4.317 50 40 IIGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2)cc1 409215205 YMSFCYKLILGMHK-QNGOZBTKSA-N 445.519 4.146 50 40 IIGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 6194984 AZJGSANPDAJKLX-RPWUZVMVSA-N 449.514 4.235 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc([N+](=O)[O-])c1O 15223714 BUOONTNHNRYYFQ-FOKLQQMPSA-N 442.859 4.134 50 40 IIGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 17578653 VHSNTIUOEOZJOQ-NBVRZTHBSA-N 436.508 4.150 50 40 IIGB COc1cccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 59165547 QDRRNSBKAUTMFG-LPYMAVHISA-N 436.380 4.068 50 40 IIGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59336229 QMLDQFKRVZMERD-JYRVWZFOSA-N 435.263 4.099 50 40 IIGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)C12CC3C[C@@H](CC[C@H](C3)C1)C2 100927413 WILUWTLJUAVETM-CKMSXIOLSA-N 436.306 4.120 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408543504 RMLNVJKJHHSWRM-WOJGMQOQSA-N 430.420 4.246 50 40 IIGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 408607872 FJZKLUDKOKIXJV-JVWAILMASA-N 449.482 4.282 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)c1Nc1ccccc1C 408707935 MTAAFVKUNRAVNX-CVKSISIWSA-N 430.508 4.453 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(N(C)C)c3)c2C)cc1 408781643 DLHWAYQOYXOKCN-WGOQTCKBSA-N 432.524 4.101 50 40 IIGB CC[C@H](C)Oc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cccc1OC 408914711 YPSOMHKTSSCMNK-WRGIWNTCSA-N 432.520 4.259 50 40 IIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)COc3ccc(Br)cc3)c2c1 409015535 SKUOOXIWRWUBIO-FSJBWODESA-N 443.297 4.149 50 40 IIGB Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1 409041613 WKFLITAOMSDODQ-BSEKWEKLSA-N 426.472 4.088 50 40 IIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)c(C)c2nc1Cl 786949 AIHRLEMJQNZEBD-MRXNPFEDSA-N 432.307 4.369 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](O)c3ccccc3)c2C)cc1Br 1105616 FVWCUGYXUWEVPB-HLQTZPMBSA-N 440.341 4.349 50 40 IIGB CCCCN(CCCC)C[C@@H](C(=O)Nc1ccccc1)/C(C)=N\NC(=O)c1ccncc1 5809910 JGTIVQGUKNVHLB-XWHYSSBWSA-N 437.588 4.344 50 40 IIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 8780739 WNZJVTAFVLJBGL-FSJBWODESA-N 435.311 4.264 50 40 IIGB COc1cccc(/C=N/NC(=O)c2nn(-c3cccc(Cl)c3C)c(=O)c3ccccc23)c1 8888367 KPNVKZJHXPTIHV-VULFUBBASA-N 446.894 4.120 50 40 IIGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 38650269 RXQBMWKTDSAJKX-HSZRJFAPSA-N 428.444 4.141 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1O 59920867 YAXDPEHQFFKLAT-LSFURLLWSA-N 431.208 4.336 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCCc1ccccc1 408806397 MXDOIGOFPUCQGO-CJLVFECKSA-N 427.460 4.440 50 40 IIGB COc1cccc(/C=N/NC(=O)c2ccccc2Cl)c1OCc1ccc(C(=O)O)cc1 409186818 IGJAKRDUKHJPTN-DHRITJCHSA-N 438.867 4.390 50 40 IIGB Cc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 2630777 YAZVCKIXWVPUJI-UHFFFAOYSA-N 442.471 4.064 50 40 IIGB COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)Cc1ccc(-c2ccccc2)cc1 15162392 UEJBFLQGWDFYEX-TURZUDJPSA-N 429.520 4.103 50 40 IIGB biogenic CC(C)c1ccc(/C=C\c2cc(C(=O)NNC(=O)NC3CCCCC3)nc(S)n2)cc1 17197313 SSJPAPHDBGNZKD-RAXLEYEMSA-N 439.585 4.336 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)COc3cccc(C)c3C)cc2)cc1 30843326 HCHGGVKOHCIOPM-YSMPRRRNSA-N 432.476 4.060 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(Br)c2)cc1 33339776 DJULDROCGLGDDS-GDNBJRDFSA-N 429.270 4.180 50 40 IIGB C[C@H]1CCCC/C1=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 59472959 PLZXQISUYNDZCP-AEKNLGIRSA-N 433.961 4.218 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC 408727316 ZVEWJUBTZMAJEO-QPEQYQDCSA-N 446.257 4.310 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1 408808374 FZYFRVWRSHLMTK-UUYOSTAYSA-N 443.503 4.333 50 40 IIGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 1888570 FASIOJOWPJBWTR-UYPHOHSBSA-N 436.295 4.044 50 40 IIGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 9194301 KTSVMZGRLSGIAZ-WGVOZUKMSA-N 430.140 4.194 50 40 IIGB CCOC(=O)[C@@H]1S/C(=C(/C#N)c2ccccn2)N[C@]1(c1ccc(C)cc1)C(F)(F)F 12543537 VAWJEEKEVPFSRV-QLBUEXQTSA-N 433.455 4.308 50 40 IIGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@]2(C(=O)N(C)c3ccccc32)C2=C1CCCC2=O 13567689 OKMWPXOVZGCROO-RUZDIDTESA-N 444.922 4.084 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408813833 FQCCUNLYGHLGED-BKUYFWCQSA-N 443.459 4.406 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)n1 409235804 BSQUIRXANNXYGJ-ZVBGSRNCSA-N 445.888 4.157 50 40 IIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 1468669 FYMQKPPIUBLXIW-MFKUBSTISA-N 441.447 4.328 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)ccc1O 1739604 MTFZAUVVMHFUGA-AFUMVMLFSA-N 437.883 4.461 50 40 IIGB COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1 6143313 QCGARVBJJYZJLW-OHCMSVGISA-N 440.507 4.317 50 40 IIGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1 13045468 GSVYLVZNEYULPI-NRFANRHFSA-N 440.565 4.447 50 40 IIGB C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc(Br)cc1 13475996 INAGCFJHINQJHI-YBFXNURJSA-N 426.108 4.131 50 40 IIGB Cc1cc(C(=O)NNC(=O)CCC(=O)c2ccc(Cl)s2)c(C)n1-c1ccccc1 17443410 LLXKRHXCMMOZMN-UHFFFAOYSA-N 429.929 4.233 50 40 IIGB Cc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1Cl 18269548 JRLXFAQTVNDNFX-FIQHERPVSA-N 435.543 4.075 50 40 IIGB CCCC1=NC(=S)[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1 59528069 BAHWWENRYQFEMF-HSZRJFAPSA-O 431.521 4.005 50 40 IIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 408764112 ILBGZWSITRZBJL-XDJHFCHBSA-N 448.500 4.317 50 40 IIGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(C(=O)O)cc1 408911006 YCDWXUOXCZPYCY-MSXFZWOLSA-N 446.419 4.211 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)ccc1Cl 409366183 ZQAMZQRBMMXKQH-RPPGKUMJSA-N 443.862 4.478 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 2431370 WJQHZCALEFOHGV-SFHVURJKSA-N 428.275 4.323 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)o1 2773915 AJPYDGGXZKBGJG-GXDHUFHOSA-N 433.376 4.107 50 40 IIGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)CNc1ccccc1F 3314481 LOXAKXFPJUGMEY-KIBLKLHPSA-N 434.302 4.248 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 9906005 KHUXIODLPPIKRG-KPKJPENVSA-N 432.230 4.007 50 40 IIGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(CN2C(=O)CCC2=O)cc1 22867155 AXBQZNZYWGVFHV-UHFFFAOYSA-N 426.687 4.053 50 40 IIGB O=C(CCSc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28214862 ZMMIIPWSNFKVOK-KOEQRZSOSA-N 433.533 4.337 50 40 IIGB CC(C)(C)C1CCC(=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)CC1 59443794 KVHQHNPEBAPCOL-UHFFFAOYSA-N 445.585 4.179 50 40 IIGB C[C@H]1CC2(CCCCC2)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cccc1c32 95115729 IWMLXEGTYCDVEI-HAWMADMCSA-N 429.520 4.212 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OCC 103282156 VLVVIZMBSYIUKB-CVKSISIWSA-N 431.492 4.138 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408790294 VLTMERGUUWYWEZ-RQZCQDPDSA-N 442.899 4.453 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408792640 BPDPQDUFNVTQLA-VGOFMYFVSA-N 449.290 4.490 50 40 IIGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408845762 RPEDQMNKDKDEKN-BHGWPJFGSA-N 444.274 4.421 50 40 IIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(Br)c(Br)o2)c1 408951797 KDLNZHITOCKRBD-UWVJOHFNSA-N 444.123 4.205 50 40 IIGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(-c2ccccc2)nc2ccccc12 409038005 UJOUSGPOCMUPSU-DHRITJCHSA-N 440.415 4.303 50 40 IIGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(C#N)cc1 409197904 RQTBMNXOPFSLMR-BGEOKWEGSA-N 438.487 4.293 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCCC)c(OC)c1 409315103 HUDGUXWVNYIQOD-UCQKPKSFSA-N 445.313 4.022 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1OC 409361643 HRXXMJRROYHLTD-YDZHTSKRSA-N 443.297 4.419 50 40 IIGB Cn1ncc(Br)c1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2751554 DUMKNYBTLIZJOF-LSHDLFTRSA-N 447.720 4.179 50 40 IIGB C/C(=N/NC(=O)C[C@H](C)O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 19644109 MSYGKRJNECFVBU-CVNUAIRLSA-N 445.947 4.057 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1 408718084 IJJXFVOROGMDKS-WSDLNYQXSA-N 443.253 4.034 50 40 IIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC 408761509 GEIQKZOTGBMPDW-NTEUORMPSA-N 448.260 4.244 50 40 IIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C(C)C)c(OC)cc1C)c1ccccc1 408977484 DRDQNGAZOSZLNB-JAMLUQCHSA-N 425.529 4.455 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1 409159805 UZMVUDNIUXQDAM-HZHRSRAPSA-N 444.329 4.273 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I 409192886 GPXCDSNOCLORHS-RGVLZGJSSA-N 440.668 4.273 50 40 IIGB O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 10599746 OHUUQPKIOIEPKW-UHFFFAOYSA-N 430.533 4.174 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)c1 35334757 HTSSNZVKUJWPKU-LPYMAVHISA-N 428.286 4.021 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)cc(OC)c1OC 106380339 HIHWVHNNOVRLEC-FSJBWODESA-N 443.297 4.392 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 408776924 SSASHOBUDODSAJ-XLNRJJMWSA-N 432.568 4.287 50 40 IIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408794453 JDKZIXBEZXOQFC-LFIBNONCSA-N 425.282 4.405 50 40 IIGB Cc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 409228026 ZIKDGWXXSWKARO-UHFFFAOYSA-N 441.409 4.341 50 40 IIGB CCc1sc(/C=N/NC(=O)COc2ccccc2Br)cc1Br 1085528 CTUJZMSWJMLNSP-QGMBQPNBSA-N 446.164 4.365 50 40 IIGB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 3282045 KXBMLOUDCFBNOV-UHFFFAOYSA-N 434.839 4.302 50 40 IIGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccccc1-n1cccc1 4063011 XVECEPRZEWTPHG-VXLYETTFSA-N 437.091 4.359 50 40 IIGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3Cl)c3ccccc3c2=O)cc1C 8857157 FXUDVOHXBIVQDS-VULFUBBASA-N 430.895 4.420 50 40 IIGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)oc12 9944310 JVZALBRKRNGQTD-VULFUBBASA-N 444.443 4.483 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 34863841 GRYUDUYEDCRFCA-YSURURNPSA-N 447.274 4.383 50 40 IIGB CC(=O)Oc1c(C[C@@H](Br)CBr)cc2c(c1C)CC(=O)C=C2C 100069960 ILYNMXZCPNWNHW-CYBMUJFWSA-N 430.136 4.150 50 40 IIGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC/C(=N\NC(=O)CCC(=O)O)[C@@]4(C)CC[C@H]32)C1 253497832 LHOJGUMNTSJVCF-HIHRLYRHSA-N 446.588 4.298 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(F)c1 408892283 YJZNRYBSJPUENS-DHRITJCHSA-N 426.831 4.471 50 40 IIGB O=C(N/N=C/c1cccn1-c1ccc(I)cc1)c1ccc(Cl)cc1 409188721 FPDCLTSBCBVSDM-CIAFOILYSA-N 449.679 4.499 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1O 39724873 LGEURSZELBABFY-DJKKODMXSA-N 442.107 4.080 50 40 IIGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 58914606 OOOVHLVCGWWLMM-JJFYIABZSA-N 446.688 4.451 50 40 IIGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccccc1Br 59248083 JSIDOMQOHDSQAN-VXLYETTFSA-N 441.123 4.169 50 40 IIGB C/C(CC(=O)Nc1cc(Cl)ccc1C)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 100958641 NPGPKJMJDYZWRK-DHRITJCHSA-N 435.311 4.070 50 40 IIGB O=C(O)c1cccc2c1N[C@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 245231719 JGVHSWXYIOECCL-LSNQBURNSA-N 448.884 4.044 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccc([N+](=O)[O-])cc1 4086970 NMMIJCNQNSAWPP-HYARGMPZSA-N 426.476 4.494 50 40 IIGB O=C(CCSCCC(=O)N/N=C\C=C\c1ccccc1)N/N=C\C=C/c1ccccc1 8613288 XJIDPSLTNBKHTD-XBRFUPJRSA-N 434.565 4.131 50 40 IIGB Cc1ccc(Oc2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5[C@H](OC(=O)[C@@H]53)[C@@H]4Br)cc2)cc1 9581278 WJRHWCHMFPPOLG-APNJTCTJSA-N 442.309 4.297 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)c1C 18173200 PPMBCXAKVODFME-PCLIKHOPSA-N 435.549 4.201 50 40 IIGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59678838 DECZUZZDLZMFRI-WYMPLXKRSA-N 425.872 4.218 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 409071209 IPLDZDUTZQNETG-CYVLTUHYSA-N 448.500 4.399 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1OC(=O)c1ccco1 3396514 OOYULRUWHRYALT-FIKYGGOLSA-N 438.505 4.458 50 40 IIGB CCc1ccc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)cc1 9693149 MBWUWSUMKFPSQX-IBGZPJMESA-N 435.549 4.486 50 40 IIGB COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1cccs1 30843208 ZITRYDYYFAKJFT-CFRMEGHHSA-N 438.505 4.122 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1Nc1ccccc1C 408708748 SHLFJQSXUNTCMH-CVKSISIWSA-N 430.508 4.453 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC#N 408790654 QLCWZWGITJFIGC-NTEUORMPSA-N 442.269 4.001 50 40 IIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3O)c2C)cc1 409208538 CSMYEKDVMLNBKW-FSJBWODESA-N 442.313 4.335 50 40 IIGB C=CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC 409243765 YFRKSZITBROQMT-QRVIBDJDSA-N 435.293 4.245 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 409270505 QFVXQCABWXTMJZ-QDCCHXAWSA-N 447.922 4.422 50 40 IIGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1 409324159 RGSNABLMJQBCHF-MRXNPFEDSA-N 442.924 4.277 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC 1431099 OQDZHKFCRQGIOL-CVKSISIWSA-N 447.491 4.037 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1C 2409135 FMYUUUXSCDNRAZ-AFDUHFSSSA-N 446.359 4.474 50 40 IIGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccccc1Cl 2767175 LYJDKPIQSCPIAN-ZVBGSRNCSA-N 426.698 4.082 50 40 IIGB O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccccc1Cl 3092532 PEQCEUNSUUATKM-DNTJNYDQSA-N 445.542 4.427 50 40 IIGB Cc1cccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(N)=O)c1 12374289 HZAKGCXFOADDSE-TYSUYXETSA-N 432.332 4.213 50 40 IIGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 13562678 AYQDKDLSGVUDPJ-MTDXEUNCSA-N 443.503 4.188 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409366597 WVVKCOLVIBPMJG-RWPZCVJISA-N 443.478 4.293 50 40 IIGB CCn1c(SCC(=O)N/N=C(\C)c2cccc(Br)c2)nc2ccccc21 946801 RVOWEGNCSSHQJO-LPYMAVHISA-N 431.359 4.451 50 40 IIGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1cccc(C)c1O 12629193 BGZKDRFUDROMEM-OVVQPSECSA-N 431.492 4.414 50 40 IIGB COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OCc1ccccc1 408765586 MJVVQGIHSFWXBK-LQKURTRISA-N 441.487 4.352 50 40 IIGB C/C(=N\NC(=O)CSCc1ccccc1C)c1cccc(I)c1 408787238 VOTKDQOWGVWZNC-XSFVSMFZSA-N 438.334 4.373 50 40 IIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1 408960484 MDYIREBHZNKDHL-SSDVNMTOSA-N 427.254 4.480 50 40 IIGB O=C(COc1cccc2cccnc12)N/N=C/c1cccn1-c1cccc(Br)c1 409017019 UWAQHMGMPKZAOE-AFUMVMLFSA-N 449.308 4.317 50 40 IIGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OC)c1 409322673 KKIXAPGXJWTLHB-XKZIYDEJSA-N 433.302 4.185 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cccc(Br)c1 988700 GDTPDPIAHVOHSF-KRWDZBQOSA-N 425.282 4.231 50 40 IIGB CCn1c(C)nc2cc(C(=O)N/N=C3\C(O)=Nc4c(Br)cc(F)cc43)ccc21 3307770 TVLXMJDFKWLSFG-UHFFFAOYSA-N 444.264 4.002 50 40 IIGB Cc1c(C(=O)Oc2ccc([N+](=O)[O-])cc2Cl)sc2nc3n(c(=O)c12)CCCCC3 3355658 QQRBWVWLNHXFIP-UHFFFAOYSA-N 433.873 4.274 50 40 IIGB O=C(O)c1ccc([N+](=O)[O-])c2c1NC[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445684 FGRUSOUYEDNLRK-BRKJHEKRSA-N 449.872 4.499 50 40 IIGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 9635895 NCFIBAPXTSFXHN-SSDVNMTOSA-N 427.258 4.073 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1Br 10118466 PXCHXXFYZIEJAZ-GIJQJNRQSA-N 443.082 4.126 50 40 IIGB O=C(Cc1cccc2ccccc12)NNc1ncnc2c1cnn2-c1ccc(Cl)cc1 10386955 LYIFXYBNFWGERK-UHFFFAOYSA-N 428.883 4.308 50 40 IIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408612931 XMCYCSZLSJBPEV-JFLMPSFJSA-N 449.482 4.065 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OC(C)=O 408744776 MUGCCWNRXZWDGS-NVNXTCNLSA-N 429.270 4.237 50 40 IIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br 408790305 OSUCTZCIPDJILW-LFIBNONCSA-N 441.281 4.346 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@H]1c1cccs1 409134436 SRQGMPHTABXKLW-LLVKDONJSA-N 437.468 4.477 50 40 IIGB N#C/C(=C/c1cccn1-c1ccc(I)cc1)C(=O)NC1CCCC1 409195066 STPLFAZUNIQEKN-OWBHPGMISA-N 431.277 4.048 50 40 IIGB CCn1c(C)nc2cc(C(=O)NNC(=O)CSc3cc(Cl)ccc3Cl)ccc21 2726394 OJEZLLGQKKREHU-UHFFFAOYSA-N 437.352 4.225 50 40 IIGB N#CC1=C2SC[C@@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1c1ccc(C(F)(F)F)cc1 12275099 ZNVQPHSBYBWDED-OXJNMPFZSA-N 434.414 4.488 50 40 IIGB N#C/C(C(=O)N1CCCCC1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13552875 KEPDHUBCCLPTNM-VLBGROSNSA-N 435.524 4.264 50 40 IIGB O=C(Cc1cccs1)N/N=C\c1ccc(OC(=O)c2cccc(Br)c2)cc1 30738417 STYZTVJLFZNIKE-XKZIYDEJSA-N 443.322 4.423 50 40 IIGB C[C@@H](NC(=O)COC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl 33527921 RIELHVZSCAIVRQ-KWZJRMENSA-N 446.334 4.387 50 40 IIGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c2ccccc21 33663469 VOHVTXQPQVBCCP-VULFUBBASA-N 429.476 4.130 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(F)cc1 408935542 FYGOIWDAMXCTTH-KKMKTNMSSA-N 446.404 4.341 50 40 IIGB COc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409247174 CHSIUDPYFDILIK-UKWGHVSLSA-N 444.098 4.052 50 40 IIGB CSc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1 409263627 NFNMJMNHTZIOBZ-FYJGNVAPSA-N 434.359 4.430 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1 409306082 YIYNBSWZYWUYIC-GOSISDBHSA-N 441.940 4.449 50 40 IIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Cl 409369898 HGPUVZWXAFGBIN-QFEZKATASA-N 437.883 4.130 50 40 IIGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 4083860 CTKZTWNBAHUHSD-QGMBQPNBSA-N 426.432 4.431 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1ccccc1C(F)(F)F 8722732 LCUNAMLVVQHLHY-LGJNPRDNSA-N 434.462 4.012 50 40 IIGB C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Oc1ccc([N+](=O)[O-])cc1 9482763 XUJMEDDEDMTWDQ-OAHLLOKOSA-N 435.480 4.464 50 40 IIGB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)N2C(=N1)SC(C#N)=C2N 408607746 UQAQKLFJPYECOF-KRWDZBQOSA-N 432.933 4.077 50 40 IIGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/C=C/c1ccccc1 409014654 NNXGRBDESIOSHJ-MQUFLYLYSA-N 427.932 4.065 50 40 IIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409244920 KOYXAZZNYNIQKZ-VULFUBBASA-N 446.438 4.266 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2Cl)c1 409259232 XLXJENJALCZELI-QFEZKATASA-N 437.883 4.130 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1079142 HNTQFSZKCMHZOG-QGZVFWFLSA-N 425.828 4.030 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(Cl)cc2C)cc1 20060042 ASZDHTSJNIMAJB-UHFFFAOYSA-N 433.961 4.198 50 40 IIGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCCCC3)c2C)c1 20243782 QNAVBUZRFSZVDU-ZMOGYAJESA-N 445.405 4.409 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3OC)c2C)c1 408966416 LMXGUQUMNHBFQC-CVKSISIWSA-N 433.508 4.352 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)cc1Cl 409002966 XOEDAEGWKGMSBF-SSDVNMTOSA-N 427.800 4.059 50 40 IIGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cccc(C)c3)cc2)S(C)(=O)=O)cc1 409026228 JKGGYYCQDDYDFB-PCLIKHOPSA-N 435.549 4.034 50 40 IIGB CCOc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(C)cc2C)=C1C#N 8969167 LTDQESJRMLNJJU-SFHVURJKSA-N 435.549 4.413 50 40 IIGB O=C(CNc1cc(C(F)(F)F)ccc1NC1CCCCC1)NNC(=O)c1ccccc1 10037743 JTWYWRQXZDABRK-UHFFFAOYSA-N 434.462 4.323 50 40 IIGB CCC(=O)NNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C(C)(C)C)C3 13065333 HFBJEXDPZCKMLE-CYBMUJFWSA-N 446.642 4.369 50 40 IIGB CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1 59333199 PPYSWHPTJNUCKN-XLNRJJMWSA-N 425.488 4.405 50 40 IIGB CCOc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCC 59427837 SKIKGCCBAKZDIP-JVWAILMASA-N 443.503 4.102 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(OC)cc1 211699155 DJOBZYKUXWIRNV-QQXSKIMKSA-N 448.475 4.086 50 40 IIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C/c1cc(Cl)cc(Cl)c1O 3083199 NQVITINMBMVXCA-FKGLALOMSA-N 436.082 4.379 50 40 IIGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 9883222 LRSGTGZREBZCQF-KRWDZBQOSA-N 444.560 4.466 50 40 IIGB NNC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 226364435 HMFYTPCZIFDYGI-UHFFFAOYSA-N 434.515 4.048 50 40 IIGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 408784292 QDKLRAXFRSYVNK-GDNBJRDFSA-N 444.329 4.468 50 40 IIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408814247 SGDXHRMLUXLIHV-ZTKZIYFRSA-N 434.495 4.238 50 40 IIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cc(Br)ccc3O)c2c1 409062977 DUVOOXHFZPMDDA-SSDVNMTOSA-N 429.270 4.089 50 40 IIGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 934991 AOTSAGNGHUIXMX-JSIHEXFSSA-N 443.528 4.331 50 40 IIGB Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c3ccccc32)cc1 2198470 BJINKEFUFVIZAR-XZSMOWGESA-N 434.499 4.297 50 40 IIGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cc4cc(F)ccc4[nH]3)cc2)n1 12920293 XVHJNPQOTUIWMJ-UHFFFAOYSA-N 449.511 4.081 50 40 IIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3)n2-c2ccccc2)cc1 33362134 RXPDMNCGUSEJSK-XYGWBWBKSA-N 427.533 4.485 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCCC2)c(F)c1 408567275 CTWNIQGSONMZCH-ZVHZXABRSA-N 445.585 4.434 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408794860 JJPJWWILFFREPR-XSFVSMFZSA-N 428.444 4.275 50 40 IIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c(OC)c1 408893126 FOBSALVNBNLDHQ-RIYZIHGNSA-N 448.260 4.113 50 40 IIGB C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)C(C)(C)C 409023443 XOZLTLZPNBSUHU-RNWAHURQSA-N 431.558 4.172 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2888331 YTXNSMGIGDEGMD-IMGOXIFKSA-N 432.332 4.166 50 40 IIGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 9111136 JQYIEPPFJGLXEU-GOSISDBHSA-N 439.302 4.125 50 40 IIGB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)C(C#N)=C1Nc3ccccc3N1)n2CC 9403235 DNGDYFABYIVMPM-UHFFFAOYSA-N 447.520 4.167 50 40 IIGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1cccc2ccccc12 9678742 ZEDDQOZDKDVMQG-FOKLQQMPSA-N 428.286 4.192 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)[C@@H]1COc2cc3ccccc3cc2O1 9948583 ZFHVAFNNDCOCCW-XGFHMTJNSA-N 446.894 4.277 50 40 IIGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1OC 12275908 DNFKMJHARIPFJR-OPAMFIHVSA-N 442.924 4.000 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c(C)n1CC(C)C 12642230 TWNHQHQACFPCRU-JGTYQCAFSA-N 433.552 4.405 50 40 IIGB COC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)Nc1ccccc1 13323890 HLLOSQVUTGDIDG-UHFFFAOYSA-N 440.550 4.149 50 40 IIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 13921744 ILGRASSSYDOMBO-JFLMPSFJSA-N 449.482 4.065 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccccc1 59500505 SRRGDGGVEYGGCH-QQXSKIMKSA-N 445.475 4.027 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC(=O)c1ccccc1 408895491 NAEDQPRNIOEZCD-OVVQPSECSA-N 439.471 4.469 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409382124 YHGIXSJLHFFOGP-CVKSISIWSA-N 448.479 4.135 50 40 IIGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)C(c1ccccc1)c1ccccc1 100762554 YOMFLOMGKNIDEU-WPWMEQJKSA-N 429.476 4.068 50 40 IIGB NNC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226340101 XFGDMTHXBDSCBT-UHFFFAOYSA-N 434.515 4.048 50 40 IIGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(N)=O 408579410 HAZQPQIJGGAPRZ-VGOFMYFVSA-N 435.705 4.429 50 40 IIGB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl 408606939 RVRDJVNBDILZBM-KRWDZBQOSA-N 432.933 4.075 50 40 IIGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408745934 BAOFXPYTBDRZRW-NVNXTCNLSA-N 430.689 4.228 50 40 IIGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1ccc(Cl)cc1Cl 408865666 BRYZDBORUOLBGU-YSURURNPSA-N 434.352 4.433 50 40 IIGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(N3CCCCC3)s2)c1Cl 21841882 NGCJEGWNWQRLBX-ODCIPOBUSA-N 432.764 4.440 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OC 408568917 LLTJWWJJJZYLOT-LPYMAVHISA-N 432.567 4.102 50 40 IIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1 408789687 RARFCOUWWOXDIN-NDWLXSOOSA-N 425.488 4.488 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1 409261373 AXACDCCAXRNLCL-QFEZKATASA-N 437.883 4.130 50 40 IIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(SC)cc3)CC(=O)N2)cc1 409332078 FWMGKCOSKDPSMJ-GOSISDBHSA-N 439.562 4.128 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 409365003 PQHLRALFCDGOEY-YDZHTSKRSA-N 441.281 4.173 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1sc2c(c1C#N)CCCC2 854013 OCABFGZXIHYLHK-WAGPWIPHSA-N 434.565 4.108 50 40 IIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCC 2502642 QDNYYSKSAQKCQC-GOSISDBHSA-N 431.286 4.170 50 40 IIGB C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1 9315849 JMULRTOSSLITEM-VKLJRCAFSA-N 437.503 4.090 50 40 IIGB O=C(CCC(=O)c1cccs1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 12875798 KUIMVRLINOGJFD-UHFFFAOYSA-N 444.516 4.025 50 40 IIGB CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)c3ccco3)=C2N2CCOCC2)cc1 96022800 KDFXJJGUEMCYJU-ZFTLBGMFSA-N 448.567 4.305 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1 409151478 BRABKQNAGHSWPG-HZHRSRAPSA-N 446.345 4.497 50 40 IIGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(I)cc1 409372462 LZEGKIPEGDNRHC-QPEQYQDCSA-N 436.205 4.281 50 40 IIGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)c1OC 803805 VKJNMLGSWFFKJC-LJQANCHMSA-N 434.521 4.246 50 40 IIGB COc1ccc(NC(=O)CCC(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)cc1 2276497 VULMVXUOXGDHGW-SFHVURJKSA-N 438.307 4.491 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 3644029 OEJNCEUQTIWVRL-SAPNQHFASA-N 440.434 4.480 50 40 IIGB CCOC(=O)[C@@H](CCCCCCP(=O)(c1ccccc1)c1ccccc1)NC(C)=O 17596000 YRGXASRXOBRWJO-HSZRJFAPSA-N 429.497 4.019 50 40 IIGB COC(=O)/C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@]12C 118917974 VGARIQOMXRAOII-STWQPOHJSA-N 435.358 4.170 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(F)cc2)cc1 408868364 OFMHLYKLJZBMHU-UHFFFAOYSA-N 431.533 4.156 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2ccncc2)cc1 2709518 PZWZNWZZJBZICJ-FGZXAJGVSA-N 444.520 4.138 50 40 IIGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cccs1 8690422 HOAXLZMYGLDFGG-FYJGNVAPSA-N 433.942 4.356 50 40 IIGB O=C(N/N=C/c1cccc(Br)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 8780697 KPGAETFDNDPHRD-YDZHTSKRSA-N 434.765 4.465 50 40 IIGB CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)ccc1OC 12275270 AKOBVJPPCWZIQK-UUOWRZLLSA-N 436.533 4.046 50 40 IIGB O=C(O)c1cccc2c1N[C@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 13151929 JGVHSWXYIOECCL-XGJAGSQMSA-N 448.884 4.044 50 40 IIGB N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(N)=O 16157672 MAFRKJRIJJAJFV-AWNIVKPZSA-N 436.103 4.183 50 40 IIGB C/C(=N\NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1)c1cccc(Br)c1 26675922 YBZZODREJYSRIR-QMFLXTPQSA-N 431.330 4.427 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408569281 MSKYKJMMCRANLM-KEBDBYFISA-N 437.930 4.256 50 40 IIGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1Br 9665494 YJRUGPDZHGHMGR-SSDVNMTOSA-N 431.721 4.420 50 40 IIGB CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)ccc1OC 12275266 AKOBVJPPCWZIQK-MHECFPHRSA-N 436.533 4.046 50 40 IIGB C=CS(=O)(=O)OCC(C)(C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 196116582 ASRFUPOPTXVYDZ-UHFFFAOYSA-N 446.685 4.469 50 40 IIGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(Cl)c2)N2C(=N1)SC(C#N)=C2N 408605219 LAUVBVOXFHRGKG-SFHVURJKSA-N 446.960 4.467 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OC 408725517 LALSREINKCHZJV-ZROIWOOFSA-N 448.260 4.244 50 40 IIGB CCO[C@@H](CCl)/[S@](=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1[N+](=O)[O-] 6233827 PXEYAOOAMLKHOZ-QUGAMOGWSA-N 430.935 4.054 50 40 IIGB O=C(N/N=C(\CNNC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 8934204 NBISXYYJRSBOTR-LHLOQNFPSA-N 441.318 4.062 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccccc3)CC2=O)cc1C 408609785 RZLMKASBTAIJRF-NRFANRHFSA-N 429.520 4.379 50 40 IIGB C#CCOc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)cc1OC 408810707 JQBNPCBIDXWPFB-CLXYIWAZSA-N 439.309 4.254 50 40 IIGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 409248029 FKMWHRQHRCCHBZ-GDNBJRDFSA-N 432.307 4.384 50 40 IIGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 1022828 FCVJCOFECMVBIH-SFHVURJKSA-N 425.261 4.301 50 40 IIGB O=C(NNC(=S)NCCc1ccccc1)c1ccc(COc2ccc3ccccc3c2)o1 19643703 HHKOTJXXTICIDE-UHFFFAOYSA-N 445.544 4.363 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccccc1Cl 28616273 QTOSYKSWMUFTSS-ZMFRSBBQSA-N 437.883 4.425 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 58914659 ABLVNCFYHNDNJR-KSEXSDGBSA-N 432.263 4.351 50 40 IIGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)s1 408731149 KUPSBTKXPOBVBD-KEBDBYFISA-N 428.345 4.057 50 40 IIGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408796905 ZNPSMAABSYZPAW-MHWRWJLKSA-N 428.872 4.470 50 40 IIGB O=C(COc1cccc(Cl)c1)N/N=C\c1cccn1-c1ccc(Br)cc1 408854741 CAKCXFSEKAYYCY-UUYOSTAYSA-N 432.705 4.422 50 40 IIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)(C)C)cc1 408996123 KZYXDLOCNRTGBD-GMJSKMFWSA-N 447.988 4.264 50 40 IIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(COc2ccccc2Br)o1 1083399 KQNHVKUXGRUEDN-SRZZPIQSSA-N 444.241 4.293 50 40 IIGB CCOc1cc(C(=O)N/N=C/c2cccc(Br)c2)cc(OCC)c1OCC 3242078 KSMFIQJJLRWCEO-LPYMAVHISA-N 435.318 4.409 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 33547698 ATFPGFHSZHYZMB-JXAWBTAJSA-N 445.450 4.397 50 40 IIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 409099427 SISGFORKQJOVIJ-WGOQTCKBSA-N 426.476 4.347 50 40 IIGB CC(=O)Nc1ccc(-c2csc(NNC(=O)c3ccc(Br)cc3)n2)cc1 708623 NWTXXKJOYLHOBI-UHFFFAOYSA-N 431.315 4.288 50 40 IIGB CCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 13898011 OTCDGZQYJFPUCT-AFUMVMLFSA-N 433.936 4.496 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 20348488 TWLIDFPROFBHRZ-QHCPKHFHSA-N 445.544 4.484 50 40 IIGB COC(=O)c1ccc(CSC2=C(C#N)[C@@H](c3cccnc3)C3=C(CCCC3=O)N2)cc1 25422068 IANVOXYMEKVDSG-OAQYLSRUSA-N 431.517 4.231 50 40 IIGB Cn1cccc1/C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 30750340 XJDCXPNOEFITPX-OCKHKDLRSA-N 438.003 4.065 50 40 IIGB O=C(COc1ccc(Oc2ccccn2)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 30776083 UYBDAMIWYMZNED-UHFFFAOYSA-N 448.357 4.323 50 40 IIGB CCOc1cc(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1O 408961412 CAPUVHFENBPJKC-LSFURLLWSA-N 431.208 4.336 50 40 IIGB Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 409227255 YQXLXHZKGHJGJP-UHFFFAOYSA-N 441.409 4.341 50 40 IIGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)CNc1ccccc1 3336708 BTUYKDAYXHZXDT-KBKYJPHKSA-N 435.837 4.415 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)sc2c1CC[C@@H](C)C2 11689773 ODCAXWGDNMMNMB-NWFCWYBLSA-N 440.521 4.309 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(OC)c1 27563579 YODBOLAQNODFKL-IDXRHMDNSA-N 447.878 4.070 50 40 IIGB Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 28215202 GNABTPXIVWAICP-MFKUBSTISA-N 439.581 4.065 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1O 59501729 QPXZXXWYWMVSAM-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 408608243 GWVBSJCOVLGUNZ-CIRUFVMISA-N 435.911 4.247 50 40 IIGB CCOc1c(Br)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC 409364699 OUANRXOKLJPAQT-LSHDLFTRSA-N 440.725 4.072 50 40 IIGB C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(Br)s1 1434100 UJPNTEZTXSAABQ-YFEDRJBBSA-N 432.137 4.191 50 40 IIGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1OC 12275913 DNFKMJHARIPFJR-ZHRRBRCNSA-N 442.924 4.000 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59679324 INCOAYMTCYAQIW-WYMPLXKRSA-N 425.872 4.218 50 40 IIGB CCCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1 408706575 BSQAEZWAEDIGIU-ZMOGYAJESA-N 449.324 4.088 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cc(C)ccc2C)cc1 408780961 OQSNWXBSFXJUGZ-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1 408820855 ZTDCWLIVDCNEAS-WJDWOHSUSA-N 433.420 4.095 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 408896884 UNGYCGFBJBOEOE-UKTHLTGXSA-N 434.364 4.317 50 40 IIGB N#Cc1ccccc1COc1ccccc1/C=N\NC(=O)COc1cccc2cccnc12 409015674 CYOPDEJOKHSVIK-MWLSYYOVSA-N 436.471 4.215 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccccc1 408567041 KMHJCANJNQCNMW-MFKUBSTISA-N 449.463 4.345 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)cc1 408692141 FFOUPOQFHMUYBT-LGJNPRDNSA-N 438.915 4.096 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409270644 GPZNZUGGIVJQIA-DICXZTSXSA-N 445.519 4.402 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@@H]1c1ccccc1 409337420 YHHORXVJFAWRJW-CQSZACIVSA-N 431.439 4.416 50 40 IIGB N#CC(C(=O)CSc1nnc(COc2ccccc2Cl)o1)=C1Nc2ccccc2N1 9745503 VMCXPXJWTBZMAS-UHFFFAOYSA-N 439.884 4.236 50 40 IIGB Cc1cc(NC(=O)C(C)(C)CCl)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 11612507 PVHSUCDRXSNLMU-UHFFFAOYSA-N 437.935 4.130 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)sc2c1CCCC2 12273877 AGZWYZIXALHRTE-UVTDQMKNSA-N 426.494 4.063 50 40 IIGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC1CCCC1 13759332 MGDVTVVNGNQEGI-NBVRZTHBSA-N 428.492 4.069 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408956629 ZGYQWEJEOGCDDN-FOKLQQMPSA-N 440.843 4.118 50 40 IIGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)ccc1OC 409319840 MLQUKWACHDRRRG-YSMPRRRNSA-N 448.475 4.135 50 40 IIGB O=C(NNC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 2401272 QKLZZRCWWALGAH-UHFFFAOYSA-N 434.304 4.203 50 40 IIGB C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 8778757 NHUWNZHXIIUMOT-XDJHFCHBSA-N 435.553 4.301 50 40 IIGB CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 96031304 RRFJCNMUVFZRHG-HQESNCOQSA-N 448.987 4.011 50 40 IIGB in-vitro COc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1Br 408527671 GEVQTMSXCFTGJV-NUGSKGIGSA-N 430.224 4.039 50 40 IIGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408790900 RWJRNMXLWKWOOU-CXUHLZMHSA-N 443.297 4.163 50 40 IIGB O=C(N/N=C/c1ccc(F)cc1)c1nn(Cc2ccc(Cl)cc2)cc1Br 1088982 XWQVSIFWEPQROC-LSFURLLWSA-N 435.684 4.250 50 40 IIGB C/C(=N\NC(=O)CCCSCCCC(=O)N/N=C(\C)c1ccccc1)c1ccccc1 4769272 ATVJQCXHIFNVEG-FQHZWJPGSA-N 438.597 4.361 50 40 IIGB COc1ccccc1/C=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 9110814 AQRKTIAKWYJFOR-WGOQTCKBSA-N 426.476 4.428 50 40 IIGB COc1cc(NC(=O)C/C(C)=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)cc1Cl 13562669 QXALQIBQWBJAAI-LGJNPRDNSA-N 447.963 4.394 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)ccc2nc1N1CCCCC1 19096926 XIPZXLGTKMCWPO-QFIPXVFZSA-N 432.524 4.178 50 40 IIGB COc1ccc(/C=N\NC(=O)c2ccco2)cc1CSc1nc(C)cc(C(F)F)n1 102304894 RLXKZUNTCBOTNL-RMORIDSASA-N 432.452 4.380 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(I)cc1 107850984 YYAHQIWALPAPFE-CIAFOILYSA-N 430.245 4.217 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C)c(OC)c1 408602507 BZYSADHZIOTPEL-OAQYLSRUSA-N 446.532 4.089 50 40 IIGB O=C(NNc1ccccc1)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409136172 TZUOSRVPIQMDJQ-UHFFFAOYSA-N 429.461 4.246 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 409259336 YUJJDRGZMUQRDM-QDCCHXAWSA-N 447.922 4.422 50 40 IIGB COc1ccc2cc(CNC(=O)NNC(=O)c3ccc(COc4ccccc4)o3)ccc2c1 10259865 QFEJYTCGJJNOFI-UHFFFAOYSA-N 445.475 4.165 50 40 IIGB C/C(=N\NC(=O)CCCCCNC(=O)c1ccccc1)c1ccc(Br)cc1 82064129 YTRHKGYGDIRXNC-LFVJCYFKSA-N 430.346 4.280 50 40 IIGB C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(C(=O)OC(C)C)cc3)o2)C1=O 101145961 OHESFFZNCHFUJJ-DEDYPNTBSA-N 430.460 4.290 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCC 408530712 MNUOBZGAOMYIIE-FSJBWODESA-N 434.334 4.117 50 40 IIGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)cc1 408734193 FQEHSSMVXXDHBN-NLZIUFDSSA-N 449.551 4.253 50 40 IIGB O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCCO3)c1ccc(Br)cc1 9292322 NCNBUBJMBJHIJV-LSHDLFTRSA-N 446.688 4.186 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 38650271 HOEPSLYHPWGDFY-HSZRJFAPSA-N 428.444 4.141 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)c1 408752334 DNNUUPGPWAZNLB-XMHGGMMESA-N 448.500 4.317 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 408791844 DIJRAKXEAPCNCA-RVDMUPIBSA-N 447.403 4.196 50 40 IIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2ccccc2Br)c1 16136946 BDSXIVKXGPJXMK-LPYMAVHISA-N 434.359 4.181 50 40 IIGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCCCC3)c2C)c(C)c1 20243781 VNUQQAKNIJDOHB-ZMOGYAJESA-N 445.405 4.409 50 40 IIGB COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3ccc(OCCC(C)C)cc3)n[nH]2)cc1 30743127 ZRJHHQQJTANEFI-MYYYXRDXSA-N 434.496 4.052 50 40 IIGB Cc1sc2ncn(CC(=O)N/N=C\c3ccccc3Cl)c(=O)c2c1-c1ccccc1 31783362 LMBGDTOVLUACSQ-GATIEOLUSA-N 436.924 4.237 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccccc1 59536067 VVYSEZMIUBYMBD-XMHGGMMESA-N 448.500 4.317 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408772228 FKOCCOGDONTZSY-LYBHJNIJSA-N 429.586 4.345 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1OC 408995375 BWCLREVNUBXBMN-AROWNJAOSA-N 429.476 4.120 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1 409333066 IEYBAOPXAJSULU-KRWDZBQOSA-N 441.940 4.368 50 40 IIGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 825390 YWNWACYGJNKMOR-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB CCOC(=O)Cc1cc(OC)c(OC)cc1/C(Cl)=C(\C=O)c1ccc(OC)c(OC)c1 1613547 QOKNXDZIVXHEOQ-QJOMJCCJSA-N 448.899 4.133 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 2360408 BXOOKFRKRJWVNI-SFHVURJKSA-N 428.275 4.323 50 40 IIGB Cc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c2)cc1 13058598 XDGKMUJPJSESKN-CPNJWEJPSA-N 425.444 4.491 50 40 IIGB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 18055447 PETMSDKRCJYQDD-LBPRGKRZSA-N 433.892 4.140 50 40 IIGB Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cncc(Br)c3)cc2)cc1 44950384 HOPBTIFHWHPFRF-BHGWPJFGSA-N 438.281 4.136 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)Nc1cccc(Cl)c1 408792224 JRZUWLJOISMKTM-GZTJUZNOSA-N 435.867 4.174 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 408799451 ZEWUXEXJZGYDQJ-DTQAZKPQSA-N 430.416 4.367 50 40 IIGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)cc1 409203727 YMEVEQSAICGTGY-WGARJPEWSA-N 449.894 4.208 50 40 IIGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)NCc3ccccc3)c3ccccc32)o1 409390372 FDDDQRLVPHDZJL-UYRXBGFRSA-N 439.471 4.293 50 40 IIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 2749453 AEPXQNKAAGONKY-NYYWCZLTSA-N 435.661 4.385 50 40 IIGB O=C(Cc1cccc2ccccc12)NNc1ncnc2c1cnn2-c1cccc(Cl)c1 10386940 WEHYLOBKCFOHBM-UHFFFAOYSA-N 428.883 4.308 50 40 IIGB O=C(N/N=C\c1cccc(F)c1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408731951 NPSCDUNZLUYGFJ-WKIKZPBSSA-N 446.507 4.229 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OC(C)C 408965413 HBWKDFBGSNFIFP-AUEPDCJTSA-N 434.265 4.020 50 40 IIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(C)C)c(OC)c1)c1ccccc1 408979677 NYQHPHDGFCNZGL-PXMCARDJSA-N 441.528 4.058 50 40 IIGB COc1ccc(OC)c(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 409258477 XDAIUBVHFLGPQC-FSJBWODESA-N 438.311 4.270 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 850028 RUVUMXPKZVOQMZ-GOSISDBHSA-N 430.851 4.159 50 40 IIGB C[C@@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1783656 JKLYFVUAASDZBQ-OLLYESQCSA-N 449.363 4.355 50 40 IIGB Cc1cc(C(=O)CCC(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)c(C)s1 9318057 IJWWIBJTTJTSBX-UHFFFAOYSA-N 436.533 4.368 50 40 IIGB Cc1ccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cn1 32904840 HZXBKUPISYPXTC-UHFFFAOYSA-N 434.546 4.367 50 40 IIGB N#CCCn1cc(C(=O)COC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c2ccccc21 95455812 BLQDKTXWKITDFB-ONTRVFCTSA-N 429.314 4.235 50 40 IIGB Nc1nc(-c2ccccc2)nc(O)c1/N=C\c1ccc(N(CCCl)CCCl)cc1 104075402 AVQXASXZLDNHRI-QFEZKATASA-N 430.339 4.466 50 40 IIGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108033502 NFKLXZXUVFNZCE-MSXFZWOLSA-N 437.521 4.202 50 40 IIGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Br)o3)cc2)cc1 408838348 DQAZYMJXMFPARZ-WSDLNYQXSA-N 442.269 4.067 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409006007 GYFMPWRLCAKEAW-YUMHPJSZSA-N 445.519 4.484 50 40 IIGB CC(=O)n1cc(/C=N/NC(=O)c2ccc(NCc3ccccc3O)cc2)c2ccccc21 4108430 XRMLCEHHRKSPES-JFLMPSFJSA-N 426.476 4.383 50 40 IIGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc3c2CC[C@H](C(C)(C)C)C3)[C@@H](C(=O)O)C1 8455609 XPOOSJNLSWFSSY-UAGQMJEPSA-N 432.586 4.107 50 40 IIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 9120698 HEIBYQYHUJYNJS-HCIRMPLMSA-N 425.514 4.081 50 40 IIGB C/C(=N\NC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1)c1cccc2ccccc12 9158681 ZUQFHYXFVHOSLP-KOEQRZSOSA-N 427.464 4.455 50 40 IIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)c(Cl)c1 12276870 JLZMOSRGIZBUBQ-AWEZNQCLSA-N 429.904 4.498 50 40 IIGB CCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O 136458968 QNULHCXPEZSPNO-UHFFFAOYSA-N 429.561 4.409 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OC(C)=O 408745867 VZKITIAEMQTCEY-NVNXTCNLSA-N 429.270 4.237 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1 408785191 ZMCGYOLNRBRWDO-BOPFTXTBSA-N 446.288 4.302 50 40 IIGB CCCCc1ccc2nc(O)c(/C=N/NC(=O)CN3Cc4cc(C)c(C)cc4C3)cc2c1 409193857 GDQISUGEDXUTTB-UVHMKAGCSA-N 430.552 4.366 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)cc1 409324350 SKLPHUIAZMQQKE-IBGZPJMESA-N 435.549 4.413 50 40 IIGB O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1Cl 9090469 WEPAXKKVVZDQLR-OEAKJJBVSA-N 426.929 4.064 50 40 IIGB CCOc1cccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c1OCC(=O)O 9233755 WIKDQPXRAPMAQQ-DHRITJCHSA-N 432.432 4.212 50 40 IIGB CCOC(=O)c1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)cc4)CC(=O)N3C2)c1 9408635 ZQIRNNFWNMFTKM-HXUWFJFHSA-N 449.532 4.091 50 40 IIGB COc1ccccc1/N=C\c1ccc(O)c2c1OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 12371716 XGXSGSDTEWRMAL-DGBIYHDASA-N 442.431 4.278 50 40 IIGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)o2)c([N+](=O)[O-])c1 12555863 RHBHZTBSTJAQKI-UKTHLTGXSA-N 434.364 4.323 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1)Nc1ccccc1 408676070 DMUYRIHZZWMFHH-OVVQPSECSA-N 442.519 4.068 50 40 IIGB O=C(N/N=C/c1ccccc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 3290343 QAGIWTGTMJSDJB-WGOQTCKBSA-N 441.512 4.313 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 9543291 VSJCYDUREKWGEH-SFHVURJKSA-N 439.302 4.125 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2c(Cl)cccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 16956333 IWWIKJGXAXGNEF-INIZCTEOSA-N 437.843 4.255 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)o1 59186083 SQBDVDKIMFAEJS-SSDVNMTOSA-N 429.816 4.046 50 40 IIGB COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(C(=O)OC)c1 100870250 KMFTYJPDQNQFJW-LFIBNONCSA-N 437.452 4.499 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OC 409365299 QMKGJNJPUNPOBT-LSHDLFTRSA-N 440.725 4.072 50 40 IIGB C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccs2)c2ccccc21)c1ccccc1 2218774 KCEQPEWYNYOTEL-AYAKEVCGSA-N 426.501 4.050 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 6545716 HTRGKYRJMQWLSW-QFIPXVFZSA-N 438.455 4.058 50 40 IIGB CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)[C@@H](Cl)c2ccccc2)cc1 19632672 VYNMIZTWWAFUEJ-FQEVSTJZSA-N 440.908 4.157 50 40 IIGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(CC(=O)O)cc3)c2C)cc1 20197758 VMQDSNUAIUNIFB-WGOQTCKBSA-N 433.508 4.274 50 40 IIGB O=C(N/N=C/c1ccccc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247186 FNQVZRYONWCIFA-PODSUIKTSA-N 433.508 4.364 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33335336 JTEJJFXLLZPCLH-CVKSISIWSA-N 431.492 4.093 50 40 IIGB Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)cc2)c1 59417039 MDUYTSVAUSFSHF-AFUMVMLFSA-N 444.516 4.333 50 40 IIGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cccc(F)c1 409121777 ZZWPBJRXURUDRS-UHFFFAOYSA-N 425.570 4.369 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)OC 409243792 UINFFWUBPYJNQL-YQYFLZKSSA-N 442.899 4.075 50 40 IIGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccccc1Br 409385730 JUYCQDBGWMLSEV-ZMOGYAJESA-N 431.378 4.229 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 8683195 SDLOSIWQGIOWEX-KVSWJAHQSA-N 444.466 4.120 50 40 IIGB CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3C2)cc1 9693134 PJJHUKRNUFHUSP-SFHVURJKSA-N 437.496 4.222 50 40 IIGB Cc1ccccc1OCC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9714042 QWSDOHSNFAHSEY-UHFFFAOYSA-N 446.532 4.004 50 40 IIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CCC2 13567711 ANMMDTDQTSTJFH-XMMPIXPASA-N 430.895 4.060 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)cc1 33688652 JEXIUSDBCSXTOW-RWPZCVJISA-N 435.487 4.284 50 40 IIGB N#C/C(C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1)=C1\Nc2ccccc2S1 103422228 UVHXBFZBSGFREQ-JCMHNJIXSA-N 445.456 4.211 50 40 IIGB C[C@H](S[C@@H](C)C(=O)N/N=C\C=C\c1ccccc1)C(=O)N/N=C\C=C/c1ccccc1 104335195 YTYIKAKITSYVIU-XZQLCBIRSA-N 434.565 4.127 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 408601118 ACJNZXMVANIVJG-IBGZPJMESA-N 433.483 4.209 50 40 IIGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408606127 OLBQMOPMNCSAJX-MRXNPFEDSA-N 447.358 4.094 50 40 IIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br 408788428 JZNJWOAKDMUCRV-XNTDXEJSSA-N 429.270 4.180 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCC(=O)OC 408791095 TYHQLBUUYNXKJB-RQZCQDPDSA-N 442.899 4.453 50 40 IIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 408964347 GHNWLAHLKZXUNX-FOKLQQMPSA-N 433.376 4.372 50 40 IIGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)NC1CCCC1 409190379 XYTKUTJHKDJOIP-LGMDPLHJSA-N 430.483 4.385 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409253487 BMTHSIBHIMREJT-DICXZTSXSA-N 445.519 4.402 50 40 IIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC(=O)Nc2ccccc2)cc1 6232500 UJLWQJOODGRQEQ-QHCPKHFHSA-N 443.503 4.155 50 40 IIGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 20060538 ZWLNURPPJNDJJA-YYADALCUSA-N 449.576 4.315 50 40 IIGB C[C@H]1C[C@H](C)CN(CC(=O)/C(C#N)=C2/NC(c3ccc(Br)cc3)=CS2)C1 25325985 OXDWMDNYHZQUIW-YVVBVMADSA-N 432.387 4.366 50 40 IIGB O=C(N/N=C\c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1)NC1CCCCC1 30734538 ZNFBGELEQIXDIA-KQWNVCNZSA-N 426.473 4.018 50 40 IIGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 32116853 JALGNKDQCITIQN-PTNGSMBKSA-N 429.885 4.165 50 40 IIGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc2ccccc12 101136867 XIYJDDUHBFUXPS-XGUBFFRZSA-N 437.131 4.266 50 40 IIGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccc(F)cc1 408775910 SVZWYKDKQXFBLZ-UHFFFAOYSA-N 425.570 4.369 50 40 IIGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(N(C)C)c3)c2C)cc1 409186642 FXDMMUKFLDODMD-QQXSKIMKSA-N 434.540 4.088 50 40 IIGB O=C(NNC(=O)c1ccccc1Br)c1ccc(NC(=O)C2CCCCC2)cc1 674498 ZELJOKRAULKEKZ-UHFFFAOYSA-N 444.329 4.043 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC 713550 PSARPQMRJSVJLH-QHCPKHFHSA-N 445.519 4.326 50 40 IIGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccccc1 4179611 UFESKBWEKDDKMM-DHRITJCHSA-N 425.533 4.275 50 40 IIGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1 408737578 DZNLRZFAHJJAJB-FSJBWODESA-N 426.473 4.384 50 40 IIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 409013222 MLPJZMLNLPEPBW-CVKSISIWSA-N 431.492 4.093 50 40 IIGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Br 409320468 BDFHTDDOQURAHW-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)cc2)cc1 4132022 XASAQGOCWSMVNR-PKNRUHJYSA-N 430.504 4.387 50 40 IIGB Cn1nc(C2CC2)c2c(C(=O)NNC(=S)Nc3cccc(Cl)c3)cc(C3CC3)nc21 19633052 URBCHEJGEUSUMC-UHFFFAOYSA-N 440.960 4.008 50 40 IIGB N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 33797300 RCPKQDNRXQLQCU-AQTBWJFISA-N 425.448 4.133 50 40 IIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1OC 35251523 HLGPHEKPATWWRF-IZVPMIMASA-N 433.936 4.121 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c(OC)c1 59416268 XDYVZTJFPSIJIK-AFUMVMLFSA-N 437.883 4.373 50 40 IIGB CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21 408604013 IBHAQJJTNOCJKM-HXUWFJFHSA-N 431.521 4.109 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)c(C)c1 408962313 HCNYHGCXZBGJIH-WYMPLXKRSA-N 447.403 4.460 50 40 IIGB N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 713924 RAYUZNHBIJCVOR-KRWDZBQOSA-N 427.327 4.210 50 40 IIGB O=C(CSCc1ccc(Br)cc1)N/N=C\c1ccc(Br)o1 8403215 RZSNKFUQGYBXTR-IDUWFGFVSA-N 432.137 4.188 50 40 IIGB Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2ccc(OC(C)C)cc2)on1 12757331 MYDZFOFCURTEID-UHFFFAOYSA-N 425.510 4.137 50 40 IIGB COc1ccc([C@H](CN/C=C(\C#N)S(=O)(=O)c2ccccc2)N2CCCCCC2)cc1 28405440 ONIGPSPHMGELEG-WLUIYZDRSA-N 439.581 4.041 50 40 IIGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 58985595 QGGYZZGJBWCLOB-BUVRLJJBSA-N 436.309 4.394 50 40 IIGB Cc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)cc1Cl 59383065 VJFZCNYEZFYLIK-LPYMAVHISA-N 447.969 4.056 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccs1 408856938 IIGWFSPICLIVSS-LHLOQNFPSA-N 432.593 4.220 50 40 IIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)COc2cccc3cccnc23)o1 409016768 IRZSYBUAGJCZFN-ZMFRSBBQSA-N 429.432 4.031 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C)cc1 1904133 FFILVDXPDCHNIG-XSFVSMFZSA-N 436.508 4.200 50 40 IIGB O=C(NNC(=O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1)NC1CCCC1 22873082 CAHNUXLHHUFFEX-UHFFFAOYSA-N 426.826 4.307 50 40 IIGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 59386493 VWEAAFRQHUWJCT-DHRITJCHSA-N 425.847 4.147 50 40 IIGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 59501515 AHDNPCONFSURID-MZJWZYIUSA-N 427.504 4.374 50 40 IIGB N#C/C(=C/c1cc(Br)c(I)o1)C(=O)Nc1ccccc1 96469108 GRPAXOYTRBUWER-TWGQIWQCSA-N 443.038 4.192 50 40 IIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408706962 FWZOKOZWFIXJCE-WGOQTCKBSA-N 430.508 4.398 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408779946 OHMRMKFCZJNQBY-XIEYBQDHSA-N 443.613 4.414 50 40 IIGB CC(=O)Nc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1 408996186 LITHNPWHXPWYIV-DHRITJCHSA-N 438.915 4.235 50 40 IIGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(Br)c1O 409126072 LDQWLVJUXKFHHX-SRRANQMSSA-N 437.359 4.493 50 40 IIGB CCc1sc(C(=O)NNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1C 32895944 JBAMKQKSMYBOIV-UHFFFAOYSA-N 426.542 4.186 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)SCCS3)c2C)c1 408586520 CIZKPNHOLYCSPS-OEAKJJBVSA-N 445.610 4.307 50 40 IIGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)cc1 408922900 HMOBLADUILOWPI-NBVRZTHBSA-N 434.473 4.009 50 40 IIGB CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408979562 MVENIUJCPMQFKG-RHOWTMNOSA-N 445.519 4.105 50 40 IIGB COc1ccc(-n2c(NNC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 2271728 VCKFAKRPWCXPLD-UHFFFAOYSA-N 446.532 4.092 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccccc1 9614399 LNYVANIQVXLDSW-JVWAILMASA-N 446.503 4.450 50 40 IIGB N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 13816688 NIPYALXELUTXGB-DQRAZIAOSA-N 440.890 4.081 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 20764721 KCGYMFZBINZNNH-LPYMAVHISA-N 433.302 4.185 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)Nc1ccccc1 59445150 JZJAPHPTRTYZEI-JVWAILMASA-N 439.471 4.327 50 40 IIGB O=C(N/N=C/c1cc(Br)c(O)c2ncccc12)c1cccc(Br)c1 59459136 IQNYOCLYGBAQRL-ZVBGSRNCSA-N 449.102 4.229 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)Cc2ccccc2)cc1 59515878 VGOBLPKDUWWZQA-UHFFFAOYSA-N 441.597 4.402 50 40 IIGB C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 408785511 GRNWHRNUHHMSGC-NKFKGCMQSA-N 443.547 4.244 50 40 IIGB CCOC(=O)[C@@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 716373 RJMPPBZFWKSFOQ-OALUTQOASA-N 437.477 4.496 50 40 IIGB COc1ccc(NC(=O)CCC(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)cc1 2276498 VULMVXUOXGDHGW-GOSISDBHSA-N 438.307 4.491 50 40 IIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccc(OCc2ccccc2)c1 20086655 XVOLROACLVEHOE-JOCHJYFZSA-N 434.451 4.407 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1Cl)Nc1ccccc1F 34721450 WJWWTKJAMJVPCY-RPPGKUMJSA-N 443.837 4.400 50 40 IIGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914417 UTMFQTWAYHSYPC-MXAYSNPKSA-N 430.291 4.062 50 40 IIGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 409311546 ALRGYLKNWGJBCK-PKAZHMFMSA-N 444.487 4.059 50 40 IIGB COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)c1 6239660 LIVNRVZHXBBBSW-MRXNPFEDSA-N 426.835 4.105 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8402875 YKANRIYLDNQCPM-SSDVNMTOSA-N 437.283 4.031 50 40 IIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1OC 16409870 QVQDPOOIMRWNMB-RIYZIHGNSA-N 431.286 4.411 50 40 IIGB C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CSCc1ccccc1Br 408719888 OCIBCGISGPGRTG-HYARGMPZSA-N 434.359 4.203 50 40 IIGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(N)=O)cc1 934871 JZGWPDQIKDSCOK-PNWWAVQQSA-N 432.332 4.213 50 40 IIGB O=C(NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1cc2c(s1)CCCCC2 12808756 HJAGTMTVNNJMRX-UHFFFAOYSA-N 448.470 4.296 50 40 IIGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1c(O)ccc2ccccc12 17041476 PUCYONVKSLUEKX-VROXFSQNSA-N 431.279 4.124 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(C)c2)cc1 20059091 JCIWCQVWEFHWRB-UHFFFAOYSA-N 427.570 4.325 50 40 IIGB Cc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 20059259 BRHQMYZLTXLWFO-WGOQTCKBSA-N 449.576 4.342 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 23215046 UIZKCMWSBVJTJI-FYJGNVAPSA-N 443.459 4.406 50 40 IIGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccccc1 33429079 RYSBYAPYKQUILX-XSFVSMFZSA-N 429.451 4.067 50 40 IIGB N#CSCC(=O)Nc1ccc2oc(-c3cccc(I)c3)nc2c1 226327795 VNWIBHFUIGKAEZ-UHFFFAOYSA-N 435.246 4.252 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)o2)c1C 408545342 XYSFDDIMONPVAY-VBKFSLOCSA-N 430.416 4.286 50 40 IIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1 408740558 HAKSDYGHCSQNPS-MUFRIFMGSA-N 436.471 4.215 50 40 IIGB O=C(CSCc1ccccc1Br)NN=C1CCN(Cc2ccccc2)CC1 409326867 FPICDJIINCIXNM-UHFFFAOYSA-N 446.414 4.451 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cn1 1055640 INRHCCIGEAZXBL-WYMPLXKRSA-N 438.281 4.136 50 40 IIGB Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccn2c1C(=O)c1ccc(F)cc1 3237135 ZOKKORBCVDMBOL-UVHMKAGCSA-N 443.434 4.110 50 40 IIGB COc1cc(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 6015190 NHBGCPZJEUEXDM-HXUWFJFHSA-N 446.507 4.444 50 40 IIGB CC(C)(CCl)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 12009102 CDXCETKRMHBTEN-UHFFFAOYSA-N 437.887 4.086 50 40 IIGB O=C(COc1cccnc1[N+](=O)[O-])N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 14642477 GWXYQXYOEOTVFH-LGJNPRDNSA-N 444.369 4.455 50 40 IIGB C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)Nc1ccccc1)c1ccccc1 35519836 IDVOYTGNPZRCCS-ODENVGOISA-N 425.488 4.488 50 40 IIGB O=C(COc1cccc2cccnc12)N/N=C\c1cccc(OCc2ccc(F)cc2)c1 409022458 OQXUGWKPTGLNQP-MBTHVWNTSA-N 429.451 4.482 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1Cl 409330809 BMLRTMKXWHWKFW-IJEWVQPXSA-N 447.988 4.210 50 40 IIGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 941886 WVENZEWYPYAQRV-VYIQYICTSA-N 433.895 4.095 50 40 IIGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 9540360 LBSDSBSIWUZNOM-SKGPFOJCSA-N 429.520 4.083 50 40 IIGB O=C(N/N=C\c1cc(O)c(Br)cc1Br)c1ccc(Cl)cc1 9972337 USWVFKFLHJAIQD-WSVATBPTSA-N 432.499 4.335 50 40 IIGB N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 19593574 YZSAGPKPZHHUHS-GHXNOFRVSA-N 435.661 4.112 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 223151490 QVJSEAIKQDNMOV-ROTLSHHCSA-N 431.370 4.063 50 40 IIGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccccc3)CC2=O)cc1 408609942 SOUGXUDMJAEXSJ-NRFANRHFSA-N 429.520 4.324 50 40 IIGB COc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(I)cc3)o2)cc1 408719540 NIVOWANZAQAKPS-MTJSOVHGSA-N 446.244 4.324 50 40 IIGB Cc1ccc(NCC(=O)N/N=C\c2cccc(Oc3nc(Cl)ncc3F)c2)cc1C 409063452 LAOUTJWEVBDOOY-KALUYTGESA-N 427.867 4.240 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccccc1C(=O)O 409213941 VVGXGQFZVBNZQC-WYMPLXKRSA-N 446.419 4.211 50 40 IIGB CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12 2413603 UWCPMGXQZNUBJV-XPWALMASSA-N 436.511 4.481 50 40 IIGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NC(C)C)cc1Br 8861253 GMEZQKQPUWZKEN-WUXMJOGZSA-N 428.124 4.208 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cc(Br)ccc1O 23382892 BCYXJAYFZMGXOC-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 59333019 VSYSKBAEHQXDRV-AQTBWJFISA-N 425.916 4.003 50 40 IIGB Cc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1C 106335007 PJVIFUJXNKVVGW-AWQFTUOYSA-N 440.135 4.227 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1 408869252 RRXAPLVYBHVIST-LICLKQGHSA-N 447.447 4.404 50 40 IIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21 409270244 OAFUWUOUUPECAB-MZJWZYIUSA-N 425.488 4.420 50 40 IIGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc(Br)ccc1O 1051519 MZSXVEULEOBYAW-KEBDBYFISA-N 430.214 4.087 50 40 IIGB CCOC(=O)c1cccc(N/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 2380821 ZRTXKOBGEJTJFA-RVDMUPIBSA-N 425.293 4.421 50 40 IIGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@]2(C(=O)N(C)c3ccccc32)C2=C1CCCC2=O 13567690 OKMWPXOVZGCROO-VWLOTQADSA-N 444.922 4.084 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCc1ccccc1 13922051 FPVIFJYHOACUPY-WPWMEQJKSA-N 445.519 4.316 50 40 IIGB COc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1OCc1c(F)cccc1Cl 19642232 NIYLOZAKMITVRG-LPPOOGIUSA-N 444.890 4.269 50 40 IIGB CC1(C)C(=O)O[C@@H]([C@@H](Br)[C@@H](Br)c2ccccc2)C(C)(C)C1=O 102789024 FSEOTGDTOQKUGQ-AVGNSLFASA-N 432.152 4.433 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1ccc(O)cc1 408567373 DHMBFHXEJPFJSL-OEAKJJBVSA-N 439.562 4.191 50 40 IIGB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408707158 HIQVOZZZTPQNAC-NLYRJCHXSA-N 430.911 4.368 50 40 IIGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC)c2ccccc12 408909129 GLQHJDXIABCKFP-XBIXJXDHSA-N 433.508 4.046 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cccc(C)c2C)cc1 409025821 XQWGIYXIKYUJPG-UHFFFAOYSA-N 427.570 4.243 50 40 IIGB CC(C)(C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 12406181 IMVCDNBOJGBUTQ-UHFFFAOYSA-N 445.519 4.076 50 40 IIGB CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c2ccccc21 13567598 KDJDFNKVYVZYCN-MHZLTWQESA-N 438.531 4.211 50 40 IIGB CC(=O)O[C@@]1(O)[C@H](Br)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918360 MKWMKOFYJNDRLI-RMWFXKKMSA-N 425.363 4.143 50 40 IIGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12 408979712 OEIWFXGVTZTYSW-JEWPKMHUSA-N 447.535 4.400 50 40 IIGB COc1cc(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1OC 409233011 CUUQKCBXIKFGFL-BOPFTXTBSA-N 429.314 4.122 50 40 IIGB C[C@@H](Br)[C@H](OC(=O)c1ccco1)c1cc2c(cc1Br)OCO2 1628438 PHSNVJRXZFHDSP-CLAHSXSESA-N 432.064 4.452 50 40 IIGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(COc2cccc3cccnc23)cc1 3240781 LXXJOHUPYSQCHB-MZJWZYIUSA-N 425.444 4.306 50 40 IIGB O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc(Cl)c1O 8842954 PDQMVZHUTYGUEA-QPJQQBGISA-N 436.173 4.319 50 40 IIGB Cc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1Cl 102065882 JRLXFAQTVNDNFX-WYUUTHIRSA-N 435.543 4.075 50 40 IIGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Br 409310035 PKQARCJGTZNKRS-UCQKPKSFSA-N 445.313 4.022 50 40 IIGB COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 1194828 JRIBIGDXUCZFAR-KVIWGZMGSA-N 437.496 4.459 50 40 IIGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1 2312329 VHACOBVZTNPBBK-SFTDATJTSA-N 449.532 4.253 50 40 IIGB CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(CSc3ccccn3)c1)C(C#N)=C(N)O2 13110732 SXCNGAWLNONLSP-HXUWFJFHSA-N 433.537 4.276 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccco1 20028794 ABAPTSWCWYUBCH-QFIPXVFZSA-N 449.532 4.385 50 40 IIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408744853 NQKFJPYPRZLZSF-YBEGLDIGSA-N 425.282 4.324 50 40 IIGB COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1O 1454487 BPZPHBVRUQFTOG-CPOBKIPGSA-N 441.709 4.043 50 40 IIGB CC(C)CN1C(=O)/C(=N\NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c2ccccc21 12566510 FROWHYSGRCRFNY-JVCXMKTPSA-N 449.514 4.434 50 40 IIGB N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12 13286316 JICNSIPWCVHZJM-JXAWBTAJSA-N 425.448 4.133 50 40 IIGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1Cl 59447430 IYHZSGAJYFJJSC-CNHKJKLMSA-N 432.499 4.335 50 40 IIGB Oc1ccc(-c2[nH]ncc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1 102479417 YVYUMQVGLAQDIX-UHFFFAOYSA-O 437.459 4.107 50 40 IIGB COc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 108051947 PLFXIHCCBMGKIJ-NBVRZTHBSA-N 445.450 4.397 50 40 IIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)cc1 409236668 SYBWNXVRDWEMLL-ZMOGYAJESA-N 437.569 4.142 50 40 IIGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 1085466 ZDLPZVKKMZAXSY-FPQGOQEYSA-N 446.257 4.411 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc(O)cc1 9311809 LGWIVTCYIZFAKK-FMCGGJTJSA-N 442.313 4.091 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1F 15231282 SYTWHAHOZYYKQD-NVNXTCNLSA-N 433.277 4.171 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccnc1 19850051 STJDMRUFRHHAME-KGENOOAVSA-N 429.596 4.166 50 40 IIGB N#C/C(=C/c1ccc(I)cc1)C(=O)NCCc1c[nH]c2ccccc12 408952582 OJNBVIWMJYYWMV-WJDWOHSUSA-N 441.272 4.038 50 40 IIGB C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccccc1 654735 IDBPFURZJYSCTB-UPMNJHNBSA-N 434.569 4.097 50 40 IIGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 9110390 DMUVOJBJHQSOKV-HNNXBMFYSA-N 429.904 4.498 50 40 IIGB CC(=O)N(/N=C/c1ccc([N+](=O)[O-])o1)c1cc(C(=O)Nc2ccccc2)c2ccccc2n1 9339652 ZHPDGUWIEMLTGF-ZVHZXABRSA-N 443.419 4.375 50 40 IIGB C/C(=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccc(-c2ccccc2)cc1 19682653 SACHNCVWTRCHOA-BYNJWEBRSA-N 440.591 4.320 50 40 IIGB O=C(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)NCCc1ccccc1 58914857 OMBGAUZVDJKWSK-VULFUBBASA-N 444.318 4.453 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc(F)c1 59334392 RLSKKQXIWBIVKP-NVNXTCNLSA-N 433.277 4.171 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC)cc1 408609373 ZVXZCZDXAJEIJU-OAQYLSRUSA-N 446.532 4.171 50 40 IIGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccccc1 408740996 GGCHZVZIBZTXMD-SDQBBNPISA-N 435.661 4.112 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408781206 APUBDRVSYMEXHA-NVMNQCDNSA-N 442.899 4.447 50 40 IIGB COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)c1 606422405 WXNXTMDJELDHRL-QFIPXVFZSA-N 434.398 4.411 50 40 IIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)c1 1189853 MJIOORIFXQYTKA-MOSHPQCFSA-N 429.476 4.435 50 40 IIGB O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)N1CCCCCC1 2140159 LEFRHADAKJWKFJ-OVVQPSECSA-N 429.520 4.272 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(C#N)cc2)ccc1OCc1ccccc1Cl 3375593 NOPDWLWXKJQDQB-MZJWZYIUSA-N 449.894 4.328 50 40 IIGB O=C(NNC(=O)c1ccc(Br)s1)c1ccc(OCc2ccccc2)cc1 12587409 GYIUBQWNPKOGIO-UHFFFAOYSA-N 431.311 4.164 50 40 IIGB O=C(COc1ccc2cc(Br)ccc2c1)N/N=C/c1ccc([N+](=O)[O-])cc1 1449376 ZPXAKUNHZUGSCJ-SRZZPIQSSA-N 428.242 4.040 50 40 IIGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)ccc1Cl 2440022 MWHPRVPUWFFHPR-DTQAZKPQSA-N 448.910 4.414 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OCC(=O)c2cccs2)cc1 3166770 HSEWOWQOMDGLSM-GHRIWEEISA-N 446.484 4.342 50 40 IIGB COc1ccc(/C(C)=N\NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1 8780782 LAZDHZYEUOGGKV-XYGWBWBKSA-N 429.948 4.110 50 40 IIGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1Br 33155019 LZZQOGIYDMBOLO-SSDVNMTOSA-N 441.241 4.309 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 59254484 PNATYXPVSCJDOV-XDJHFCHBSA-N 428.444 4.469 50 40 IIGB CCn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1-c1ccc(C)cc1 1474341 YSSVAPBPZOKAPG-AFUMVMLFSA-N 445.548 4.375 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(O)cc2Br)cc1 96476290 BMECAJNBEWLZBO-NTEUORMPSA-N 431.286 4.498 50 40 IIGB Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1C 110337650 SWWSGZFWPMKGAT-AWQFTUOYSA-N 440.135 4.227 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1 408796618 AWKBAIGTOUANTF-LDADJPATSA-N 445.431 4.434 50 40 IIGB C=CCn1c(C)c(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)c2ccccc21 408996867 BEKPKISBWHUQRU-XBIXJXDHSA-N 432.524 4.463 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccccc2Cl)cc1 409184810 NVJHWHUKPINJGH-LPYMAVHISA-N 447.969 4.056 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c1 8811054 WSUOAMBQWLXEHC-AFUMVMLFSA-N 430.464 4.222 50 40 IIGB CCn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1ccc(C(C)(C)C)cc1 9019576 MCFYKYFPKGEUBZ-ZVHZXABRSA-N 437.569 4.211 50 40 IIGB C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1C 9731139 ZKXHGCDFXYPCFW-MTDXEUNCSA-N 428.492 4.121 50 40 IIGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 13468449 AROOAZVHDKORCX-DMJVJWHSSA-N 442.302 4.233 50 40 IIGB COc1ccc([C@H](C)[C@H](Br)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1 19833447 QLTVSTXOWFRMFJ-FNHZYXHNSA-N 432.314 4.152 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC 59333216 IIUGBNYDQFESBW-RGEXLXHISA-N 439.943 4.393 50 40 IIGB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408707156 HIQVOZZZTPQNAC-IMTHTVFUSA-N 430.911 4.368 50 40 IIGB CC[C@@H](C)Oc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cccc1OC 408914708 YPSOMHKTSSCMNK-RTMGKINMSA-N 432.520 4.259 50 40 IIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C(C)C)c(OC)cc1C)c1ccccc1 408977485 DRDQNGAZOSZLNB-XAOCGEIJSA-N 425.529 4.455 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 409002173 YOHJCDDTFHMEDP-FSJBWODESA-N 426.860 4.185 50 40 IIGB O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409004369 CDOCODJPVAWSMB-CVKSISIWSA-N 435.911 4.201 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 409169500 RFBYOLMUVYBWON-UXHMZNKVSA-N 428.330 4.076 50 40 IIGB COC(=O)c1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1 3102994 RNBDOMOCEPSEPP-YDZHTSKRSA-N 425.282 4.082 50 40 IIGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 59433809 XYBCLWTUUMLCBL-GZIVZEMBSA-N 448.626 4.210 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NC[C@@H]1CCCO1 137076624 SYKIVHUBQMPGHY-QFTJCQGQSA-N 441.325 4.230 50 40 IIGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OC 408541650 DYMAZQRJZBNWLH-NVNXTCNLSA-N 449.244 4.461 50 40 IIGB Cc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 409251720 QINDFGZBUHVMPO-XMHGGMMESA-N 427.460 4.264 50 40 IIGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1 409317422 PVRBZBZWGXMOEA-HNNXBMFYSA-N 429.904 4.498 50 40 IIGB COc1cccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)c1OC 2237470 HRFILMUCZNBHCT-QGZVFWFLSA-N 425.485 4.062 50 40 IIGB C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(F)cc2)c2ccccc21)c1ccccc1 2430484 CLARNXHXVRUXRL-GBWQBGJGSA-N 438.462 4.128 50 40 IIGB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NNC(=O)c1ccc(Cl)cc1 2630523 OQOVJOHOLUDOFJ-LFIBNONCSA-N 446.937 4.008 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19948259 XVQNYWLTUZHKJR-YYADALCUSA-N 449.576 4.348 50 40 IIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OCC 20760171 HUTUFYSOFPHWGP-WSDLNYQXSA-N 435.705 4.277 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NC[C@H]1CCCO1 137076659 SYKIVHUBQMPGHY-MUPHDSPYSA-N 441.325 4.230 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408799574 ZTVGTNAFOBYTOZ-CXUHLZMHSA-N 428.872 4.145 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(Cl)cc2)cc1 408884467 UMRBJEWKUASEOI-LPYMAVHISA-N 447.969 4.056 50 40 IIGB Cn1ccnc1Sc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 705362 XJACNKGMXHQOEN-MFKUBSTISA-N 445.504 4.326 50 40 IIGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OC(=O)c2ccccc2F)c(OC)c1 936167 MRJOGRRXXILMHK-MDWZMJQESA-N 448.244 4.286 50 40 IIGB O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccc(Cl)cc1 3091737 JPZXQQNVOJTODJ-DNTJNYDQSA-N 445.542 4.427 50 40 IIGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)c1 4691630 XSYDKYUDLXFNNP-OAQYLSRUSA-N 435.505 4.089 50 40 IIGB COc1ccc(Br)cc1/C=N\NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1 13940888 XJJGFDDZRXHBFH-MERTWQSDSA-N 447.329 4.045 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3C)nc3ccccc3c2=O)cc1 16712169 VCGSYQUKYBZPSO-YSMPRRRNSA-N 442.544 4.245 50 40 IIGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)COc1ccc(Br)cc1 34868956 AEYFTJAMBDZSHR-FSJBWODESA-N 434.309 4.026 50 40 IIGB Cc1ccccc1C(=O)NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 58744732 UFSFVARKRIAUHD-UHFFFAOYSA-N 428.414 4.152 50 40 IIGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(N2CCCC2)o1 59679765 XVQHJBJVURBXME-OEAKJJBVSA-N 426.314 4.488 50 40 IIGB Cc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1Cl 102065879 JRLXFAQTVNDNFX-KKOKHZNYSA-N 435.543 4.075 50 40 IIGB CCOc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccccc3)CC2=O)cc1 408609994 SSBGBVZRMQRJFN-FQEVSTJZSA-N 445.519 4.161 50 40 IIGB O=C(N/N=C\c1cc(Cl)cc(I)c1O)c1cc2ccccc2o1 408852312 JKFPDNOGOUBWOH-UWVJOHFNSA-N 440.624 4.160 50 40 IIGB COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C3CCCCCC3)cc2)CC1 408871216 YCYMXVNOSKBEFJ-UHFFFAOYSA-N 434.584 4.457 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 409230715 FQRFBZOHPVFFID-QFEZKATASA-N 437.427 4.014 50 40 IIGB O=C1/C(=C\c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1C1CCCCC1 1869116 XKBLNPHCNPCBRM-JXAWBTAJSA-N 431.989 4.478 50 40 IIGB Cc1ccc(-c2ccc([C@@H]3NC(=O)C(C#N)=C(S)N3c3ccccc3)o2)c([N+](=O)[O-])c1 2327397 OHFZORWKYVOIDG-HXUWFJFHSA-N 432.461 4.463 50 40 IIGB N#C/C(=C/c1nn(Cc2ccccc2)cc1-c1cccnc1)S(=O)(=O)c1ccc(F)cc1 6277200 KMBQRKASDQWMEI-XKZIYDEJSA-N 444.491 4.471 50 40 IIGB CC(C)c1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 9281352 RPQGIDCJJWUXEE-XMMPIXPASA-N 445.910 4.106 50 40 IIGB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NNC(=O)c3cc4ccccc4o3)c2n1 9884129 MUWRAUCRVNPBPI-UHFFFAOYSA-N 444.274 4.436 50 40 IIGB COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccccc1 30838820 BWCCJEYIPGHEPX-YSMPRRRNSA-N 432.476 4.060 50 40 IIGB COc1cc(/C=C/C(=O)NN)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 226360908 XZQGFHPDGRTEEU-HWKANZROSA-N 446.128 4.347 50 40 IIGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 408607851 FGZNOPAJFWICBT-JVWAILMASA-N 447.466 4.058 50 40 IIGB COc1ccc(Oc2ccc(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)cc2)cc1 408723851 VIMZQCQEOLPGST-MFKUBSTISA-N 436.464 4.277 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC 408777953 NAYVAVJJWMNJCZ-JVWAILMASA-N 429.520 4.026 50 40 IIGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)/C=C/c1ccccc1 409124061 GOKZLTKHZMXJQC-BOQHZOEHSA-N 442.471 4.108 50 40 IIGB CCCc1n[nH]c2c1[C@@H](c1ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2 17094615 KDZHXPITWPNERN-QGZVFWFLSA-N 425.832 4.402 50 40 IIGB CCOC(=O)[C@@H]1[C@@H](c2cccs2)C(C#N)=C(SCc2ccc(F)cc2)N[C@]1(C)O 20808146 OPQPKFUHWQRRKY-LVCYWYKZSA-N 432.542 4.130 50 40 IIGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 408776499 PGQXRJGWNTXQQD-YZSQISJMSA-N 449.576 4.211 50 40 IIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCC(=O)O 409015738 DWPBLYJPFOXQGK-MYKKPKGFSA-N 442.855 4.051 50 40 IIGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])o2)c1 1421593 DTHFYUINVBEHHF-MFKUBSTISA-N 443.415 4.253 50 40 IIGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2393212 YEYTVXYLEQMGBG-SAPNQHFASA-N 430.508 4.136 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc2c(c1)OCO2 8721828 FJNRARJOXNZXIG-YBFXNURJSA-N 434.492 4.359 50 40 IIGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1 9059249 XYRPYLXGNPEJKJ-NTUHNPAUSA-N 449.688 4.420 50 40 IIGB CSc1ncccc1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9120706 AWOYHENTHBKJFY-UHFFFAOYSA-N 449.561 4.047 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)sc2c1CC[C@H](C)C2 11689772 ODCAXWGDNMMNMB-OJNRTJSBSA-N 440.521 4.309 50 40 IIGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1F)C(=O)NCc1ccccc1 33547109 LTAVQAJKVKXUTH-XSFVSMFZSA-N 429.451 4.067 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccc(Br)cc1 58917057 MOEQJZBUNMLNDT-YDZHTSKRSA-N 426.314 4.386 50 40 IIGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408743898 IANIIHDTLHZSLC-YBEGLDIGSA-N 425.282 4.324 50 40 IIGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(Br)c(N3CCCC3)o2)c1 408854030 VYKXLTJHGXQRBG-UUYOSTAYSA-N 434.334 4.042 50 40 IIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1cc(C)cc(C)c1 408900405 VMZAQONFAIKHCI-CAOOACKPSA-N 429.314 4.436 50 40 IIGB N#C/C(=C\c1cccc(OCc2ccc(C#N)cc2)c1)C(=O)NCc1ccc2c(c1)OCO2 409206860 MLXTYBLYJRTNNN-LSHDLFTRSA-N 437.455 4.089 50 40 IIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 2267189 UHIASVGQQSXHLZ-LQKURTRISA-N 431.536 4.416 50 40 IIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c1C 12859062 BMWFJSBCGJMSDH-FBCYGCLPSA-N 444.123 4.259 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OC 13343518 ICTSYPAVUHXJGT-RIYZIHGNSA-N 445.269 4.100 50 40 IIGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 33793000 RSUINHIGWLMFJD-VULFUBBASA-N 439.874 4.189 50 40 IIGB O=C(N/N=C/c1cccc(F)c1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408733461 XWZOQLBHWOEYRP-UVHMKAGCSA-N 446.507 4.229 50 40 IIGB C[C@@H](C(=O)N/N=C/c1c2ccccc2cc2ccccc12)N(c1ccccc1)S(C)(=O)=O 408908143 UGJVMAJDIPLRKD-WYZSWBMLSA-N 445.544 4.298 50 40 IIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3Cl)CC2)cc1 409005372 IDDBUHFIWCSMDW-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 16214594 DUHZVITYOHSQTC-XKZIYDEJSA-N 442.471 4.196 50 40 IIGB COc1ccc([C@H]2CC(=O)N3CN([C@@H](C)c4ccccc4)CSC3=C2C#N)cc1OC 20348150 CQFCJCBEYIFKDC-QFBILLFUSA-N 435.549 4.480 50 40 IIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br 408795789 WGEMZJKLJGYFSB-NTEUORMPSA-N 428.242 4.468 50 40 IIGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 408882358 MPYPBKNGMUTYCG-VIZOYTHASA-N 432.261 4.462 50 40 IIGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C 408993286 DDQPWJQTCFEALL-DHRITJCHSA-N 439.899 4.063 50 40 IIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1Br 409369571 PLKUXLPDWDESRH-LGJNPRDNSA-N 449.308 4.246 50 40 IIGB COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1F 606422259 ICUMJIVLEGAAEO-JOCHJYFZSA-N 434.398 4.411 50 40 IIGB O=C(N/N=C/c1ccc(Br)s1)c1ccc(CSc2ncccn2)cc1 695799 CIWNDZVIXDPOGX-UFFVCSGVSA-N 433.356 4.357 50 40 IIGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(N)=O)cc1 1887580 TUGVXURWYLOISV-MNTXUITRSA-N 432.332 4.213 50 40 IIGB C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 9845989 FDKWIGSZMKIJKE-MFKUBSTISA-N 447.447 4.244 50 40 IIGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)c1O 16996374 XTZKKVXWUHVJMW-CVKSISIWSA-N 442.475 4.134 50 40 IIGB COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(C)cc2)cc(OC)c1OC 59922539 DLVRHFIAAFHSGI-CVKSISIWSA-N 447.491 4.037 50 40 IIGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 223163831 XGZCYHISIXPFJA-MXAYSNPKSA-N 430.291 4.062 50 40 IIGB Cc1cc2nc(/C(C#N)=C\c3cc(Br)c(N4CCOCC4)o3)[nH]c2cc1C 408850045 DNGJBARFQVQPEW-ZROIWOOFSA-N 427.302 4.436 50 40 IIGB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N(CCCl)CCCl)cc1 725514 ZZOSMAGSSXYDDE-LDADJPATSA-N 438.742 4.085 50 40 IIGB CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 1240111 DUCTYAHEXZCOCL-YDZHTSKRSA-N 427.961 4.423 50 40 IIGB Cc1nc(C(F)(F)F)c(C(=O)NNC(=N)COc2ccc(Cl)cc2Cl)s1 3128119 KEBIYFPXOJGIIM-UHFFFAOYSA-N 427.235 4.068 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 3193644 LIFKXPRNRYXHCN-CVKSISIWSA-N 442.475 4.026 50 40 IIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccnc1 30742799 CBKWENUEJFYORO-UKWGHVSLSA-N 435.987 4.121 50 40 IIGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59435519 AJSSKHHPWBXSBR-IFRROFPPSA-N 426.101 4.476 50 40 IIGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 100312705 JRIBIGDXUCZFAR-BSNNWUEPSA-N 437.496 4.459 50 40 IIGB Cc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1Cl 102065888 JRLXFAQTVNDNFX-USZNOCQGSA-N 435.543 4.075 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(Br)c1OC 408749513 QAXUCMHEDKADKV-LPYMAVHISA-N 428.286 4.021 50 40 IIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c(C)c1 408909710 HWPSWFKBJFPDPZ-OEAKJJBVSA-N 432.362 4.305 50 40 IIGB Cc1ccc(C(O)(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)c2ccc(C)cc2)cc1 2302328 QKLRRIOPPNLXIF-UHFFFAOYSA-N 436.380 4.378 50 40 IIGB N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1c1ccc(C(F)(F)F)cc1 12275100 ZNVQPHSBYBWDED-JXFKEZNVSA-N 434.414 4.488 50 40 IIGB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)NNC(=O)c2cccc(Cl)c2)c1C 13038515 JWBRRBGGZVHPOG-UHFFFAOYSA-N 432.307 4.484 50 40 IIGB CCCOc1ccc([C@@H]2[C@@H]3CN(CCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 16037936 XUODHVFVEHTAMS-ZJSXRUAMSA-N 445.567 4.009 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)c1C 20232525 WXPCOIFENKFHQT-WGOQTCKBSA-N 449.576 4.342 50 40 IIGB COc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC(C)C 28166609 VRWISZLXYLMKEM-GDNBJRDFSA-N 439.537 4.067 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl 408746107 QWBWIEYPKOKBBF-ZSOIEALJSA-N 449.290 4.490 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408791270 VMQIIKWUHSAHRC-NTUHNPAUSA-N 435.263 4.187 50 40 IIGB COc1ccc(Cl)cc1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 408981162 UZLHMCMQCQYADH-AUEUWSLNSA-N 435.911 4.360 50 40 IIGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888987 LBAAWKVCXBJRRP-SSXUBFHHSA-N 447.491 4.161 50 40 IIGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 408882624 RHBBOGHSJSZEAP-AWNIVKPZSA-N 446.257 4.229 50 40 IIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 408891414 QGWVTHILVUJRKC-AFUMVMLFSA-N 430.420 4.340 50 40 IIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OCC)c2)cc1OCC 409334908 NNNWRHDFLLNBJL-OYKKKHCWSA-N 432.904 4.475 50 40 IIGB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NNC(=O)c1ccc(F)cc1 2620346 UVKUFHBWQAENDA-UHFFFAOYSA-N 438.509 4.051 50 40 IIGB C/C(=N\NC(=O)c1ccccc1F)c1ccc(/C(C)=N/NC(=O)c2ccccc2F)cc1 8826648 KYTLZGQORABJJV-DPCVLPDWSA-N 434.446 4.273 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 9244122 URAFKAGFRYTJNF-FQEVSTJZSA-N 432.480 4.101 50 40 IIGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(Cl)c4)CC(=O)N32)cc1 12275769 ASBJIUNFQBPUFX-PGRDOPGGSA-N 426.925 4.382 50 40 IIGB CCCCc1nc2ccccc2n1CC(=O)NNC(=S)Nc1cccc(Cl)c1C 16307350 DLOHFQUIXXRBHC-UHFFFAOYSA-N 429.977 4.359 50 40 IIGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccc1 58626075 RHHIYCJBSACVSB-VXLYETTFSA-N 426.108 4.374 50 40 IIGB C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1O 408569480 OETHTPNBRHDQDI-YDZHTSKRSA-N 444.578 4.137 50 40 IIGB C#CCn1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21 408569817 QERJXNCXYQJAEI-ZVHZXABRSA-N 435.574 4.282 50 40 IIGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676707 MMUCFVMLVBCWNZ-OEAKJJBVSA-N 446.345 4.221 50 40 IIGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(N(C)C)cc1 408740778 MJJQFOLBCGVKKL-LQKURTRISA-N 441.535 4.237 50 40 IIGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccc(Br)cc1 409375364 JQFXHQMSOXUMSU-ZMOGYAJESA-N 431.378 4.229 50 40 IIGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1c[nH]nc1-c1ccc(F)cc1 1087779 MTXLHOVGCJYXCO-OPAMFIHVSA-N 426.451 4.424 50 40 IIGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc(N2CCCCC2)s1 9635238 ZJBLWGWTKHDYGV-WYMPLXKRSA-N 435.475 4.257 50 40 IIGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CO2 12341862 MKYCWMJPNVJJQQ-FJOJGSNPSA-N 449.463 4.442 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(C)cc1 16291479 SKHZYWZDMNCBNH-NCELDCMTSA-N 435.549 4.115 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(F)cc1 59334319 QLRRQLVSHHBYAA-NVNXTCNLSA-N 433.277 4.171 50 40 IIGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 101512691 XXOPKXYOXAWIEO-WPWMEQJKSA-N 429.476 4.146 50 40 IIGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408862253 GMRXCIZASVQEOP-QYJQOTDOSA-N 449.894 4.273 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1Cl 9434942 BRRLQDBAKKZSEY-WAGPWIPHSA-N 426.900 4.130 50 40 IIGB Cc1c(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc(N)c1C#N 16249609 WFHKPXHPJVFKDN-UYOCIXKTSA-N 429.845 4.096 50 40 IIGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OCC)c3)[C@H]2C1 19851769 YZVYDZVPLPTQRU-XUZZJYLKSA-N 445.567 4.008 50 40 IIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 23358519 DKLLTJHDZKJIBC-BUVRLJJBSA-N 441.940 4.070 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(F)c2)c1Nc1ccccc1C 408707254 IMCOLYGAPBYMIZ-VULFUBBASA-N 434.471 4.284 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(I)cc1 408772705 HHUJMCPFKNXVND-BOPFTXTBSA-N 446.288 4.302 50 40 IIGB N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccnc1 6474950 RXMIPBWQAXNQNI-MWTRTKDXSA-N 433.471 4.133 50 40 IIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)cc1Cl 9110510 SIAUYFOQIVFIBC-HNNXBMFYSA-N 429.904 4.498 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1OC 13146536 YBJWZZBNJKTOAQ-ZVHZXABRSA-N 432.505 4.382 50 40 IIGB C/C(=N/NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCCO2 20229732 SMESUGFHZBOUIN-USHMODERSA-N 441.531 4.170 50 40 IIGB Cc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)s1 36235471 UMIRXSAFRHJZPG-CPGHBSSUSA-N 432.549 4.044 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1 59334713 RSASQLQQHGLLQS-YVLHZVERSA-N 429.314 4.422 50 40 IIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408526640 CUXFSOHKLWYFBI-KBKYJPHKSA-N 431.370 4.226 50 40 IIGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408789250 HUQALOVYWDTOQQ-MHWRWJLKSA-N 443.297 4.245 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCCOc1ccccc1Cl 409207397 WCTFCKOZWVOPSB-GHRIWEEISA-N 426.900 4.382 50 40 IIGB CCOC(=O)c1ccc(-c2ccc([C@H]3NC(=O)C(C#N)=C(S)N3c3ccccc3)o2)cc1 6144792 STEBKWLIWDYFKM-NRFANRHFSA-N 445.500 4.423 50 40 IIGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC 8952231 HYGZBLQKVDPPSK-WYMPLXKRSA-N 438.311 4.074 50 40 IIGB COc1ccccc1NC(=O)N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 59248959 IIELQFXPHMKCNK-QFEZKATASA-N 449.463 4.137 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccccc1Cl 72336367 QTOSYKSWMUFTSS-LGJNPRDNSA-N 437.883 4.425 50 40 IIGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1)OCc1ccccc1 201578235 DUYXVDBFAXVSKN-SWOYFSSUSA-N 440.503 4.156 50 40 IIGB COc1ccccc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 408841294 GAOZYBCZRIZJJZ-BHGWPJFGSA-N 434.443 4.607 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1cc(Cl)ccc1Cl 408868191 NZIJDRSVFPDFOA-WYMPLXKRSA-N 435.355 4.300 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 409063427 BQVDFHHNRBHGMF-KNTRCKAVSA-N 448.500 4.399 50 40 IIGB Cc1cc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(C(C)C)cc1Br 1021036 NGXBMDKNCQPOKY-LSFURLLWSA-N 433.302 4.139 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(Br)cc3)o2)cc1 15018845 PFORRRFVDOGIJQ-UUYOSTAYSA-N 427.254 4.260 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)CC2=O)cc1 96594507 YCPADSMSASNFBT-VPZZRGLESA-N 427.504 4.077 50 40 IIGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cc3ccccc3cc2O)cc1Cl 100815348 WZUNVLQGOZRVNC-DHRITJCHSA-N 425.872 4.342 50 40 IIGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1 408544580 VAEWKVMBYVYRHM-NDENLUEZSA-N 442.427 4.208 50 40 IIGB COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)COc3cccc4cccnc34)o2)c1 409024824 XIKJONDLDWVKFX-VYYCAZPPSA-N 443.459 4.119 50 40 IIGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)C(=O)NCCCc1ccccc1 409242483 VGIOIAOKOJDHIU-NKFKGCMQSA-N 439.515 4.360 50 40 IIGB COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COCC(F)(F)F 996595 GCFRRTILCGTGBQ-YLJYHZDGSA-N 442.441 4.368 50 40 IIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1107284 WKNPYVOQHXWFTJ-LJQANCHMSA-N 427.372 4.179 50 40 IIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12CN(Cc1ccccc1)c1ccccc12 8781276 DGUNENBAADIKJO-MHZLTWQESA-N 433.467 4.186 50 40 IIGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1 13715096 FHGSTIJWSTXSDO-SILNSSARSA-N 444.560 4.417 50 40 IIGB COC(=O)/C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3C(=O)C[C@]12C 118917976 VGARIQOMXRAOII-ZAKIBROHSA-N 435.358 4.170 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccccc1 408778227 RGZIQLYSZBYQOE-QRVIBDJDSA-N 426.314 4.386 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 408819089 ZUXCAMFAQQNXFI-LTGZKZEYSA-N 443.478 4.109 50 40 IIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCC1 409026737 WMJXQSWMKRWREO-UHFFFAOYSA-N 433.961 4.362 50 40 IIGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 409186792 HXJTZIBXVXEURK-WJDWOHSUSA-N 443.297 4.325 50 40 IIGB COc1ccc2cc([C@@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC(C)(C)C)c(Cl)nc2c1 872619 NJHLMQCFCRELPE-GOSISDBHSA-N 427.888 4.320 50 40 IIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 2617346 SIZIDCYOWXEZNR-CXUHLZMHSA-N 434.481 4.037 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 30760485 XTBUTWOFLOCYQA-YUMHPJSZSA-N 445.519 4.484 50 40 IIGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 408897250 RBIXNTFFGNDVKM-MDWZMJQESA-N 446.257 4.310 50 40 IIGB CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCC 409219303 PGRSBPOBWSVQDO-YBFXNURJSA-N 447.420 4.283 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)ccc1Cl 409388156 UNHJNXYYJDOHRT-DHRITJCHSA-N 431.920 4.149 50 40 IIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)c1 2410675 LZOLGGPYWFTENI-NBVRZTHBSA-N 428.492 4.069 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccco1 3146196 CCZZZOMUZAREIO-AFUMVMLFSA-N 436.464 4.043 50 40 IIGB N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)O)c1 408541731 FPOXAHIWIYKRDX-UNOMPAQXSA-N 443.415 4.418 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OC 408776535 PAGFPWNVGGPCIR-GDNBJRDFSA-N 444.329 4.468 50 40 IIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1 408789688 RARFCOUWWOXDIN-QZMYASAMSA-N 425.488 4.488 50 40 IIGB COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)c1 806413 LIVNRVZHXBBBSW-INIZCTEOSA-N 426.835 4.105 50 40 IIGB CCOc1cc(Br)cc(/C=N/NC(=O)c2cccc(Br)c2)c1O 9668327 QKIRPBBIFRINRR-DJKKODMXSA-N 442.107 4.080 50 40 IIGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)Cc1ccc(-c2ccccc2)cc1 13452045 JZUYBVUGEGFRHU-RDRPBHBLSA-N 442.519 4.375 50 40 IIGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)cc1 13777084 QVWRHTPYMYPXCG-NBVRZTHBSA-N 428.492 4.069 50 40 IIGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 30833221 RZQVOTNLBNOEIJ-QFEZKATASA-N 438.867 4.097 50 40 IIGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1C 33741612 MLECXJQQGIXTJJ-UNOMPAQXSA-N 443.459 4.125 50 40 IIGB CCC/C(=N\NC(=O)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccccc1 83314811 YGUJCRWTPQEBTK-SOYKGTTHSA-N 432.520 4.260 50 40 IIGB COc1cc(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1O 408567393 DLPVGXGECKLCAU-UFFVCSGVSA-N 438.958 4.062 50 40 IIGB O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1 408718322 RWOMSRCSYWOQJI-BUVRLJJBSA-N 437.293 4.361 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccncc1 408741012 NNAGJPVGUFEVSK-WYMPLXKRSA-N 428.261 4.326 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408780511 CMXOYKZCJYCAGD-YYADALCUSA-N 449.576 4.348 50 40 IIGB N#CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 408857811 QAKVKEZUDWHSRH-BOPFTXTBSA-N 449.308 4.099 50 40 IIGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)ccc1Br 409204466 HUNCGXMIQLHMHV-BUDOKORBSA-N 442.357 4.367 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 9203039 MCPFCOQNLXNDEK-SSDVNMTOSA-N 446.232 4.449 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1 408608442 HKZUBCKOTFVFBZ-JVWAILMASA-N 445.519 4.370 50 40 IIGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2)cc1 408792016 GPIVHHGZZVBQKI-HAVVHWLPSA-N 439.515 4.278 50 40 IIGB Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 409023647 AJCBCIPVFIGUIT-AFUMVMLFSA-N 444.516 4.333 50 40 IIGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)c(OC)c1 2432748 GVFPIPJPHIOVRP-GOSISDBHSA-N 425.485 4.062 50 40 IIGB C/C(=N\NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc(F)cc1 13306619 SZFQGTWUMWTWFF-ZIESHWKISA-N 444.510 4.203 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cc(Br)ccc1F 17143670 NYHIUOIDSVZVPC-KRWDZBQOSA-N 443.272 4.370 50 40 IIGB CCCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)cc1 32577011 BIOWNHLTDPLEHZ-IWIPYMOSSA-N 437.569 4.305 50 40 IIGB O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C\c1cccc([N+](=O)[O-])c1 33154857 XGYFDEOYVJUJBL-RMORIDSASA-N 442.781 4.136 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)o1 33763288 ALEJYLFYLKQGQE-UVTDQMKNSA-N 433.376 4.107 50 40 IIGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 408883442 VFXDTPPDSPHAIP-RVDMUPIBSA-N 441.896 4.102 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C#N)C3=C2C(=O)CC(C)(C)C3)cc1O 716494 ADHGCZFFRNVGHV-HSZRJFAPSA-N 440.503 4.213 50 40 IIGB CC[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 2750954 LIUDMMMUMLQWAE-UXHMZNKVSA-N 426.860 4.448 50 40 IIGB C=CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 9204573 QNIAJFIJKGGTAS-WSDLNYQXSA-N 437.721 4.369 50 40 IIGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCCCC3)c2C)c1 20243785 PLPYFEQSTARAJO-ZMOGYAJESA-N 445.405 4.409 50 40 IIGB COc1ccc(NC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408965118 GTAHRTXQOWVEDT-QFEZKATASA-N 449.463 4.137 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 934906 ARHGGFRMCWCRFO-AFDUHFSSSA-N 446.359 4.474 50 40 IIGB O=C(CSc1ncccn1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 1096209 HORWSGINTYPSNF-JFLMPSFJSA-N 428.517 4.451 50 40 IIGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12 1424061 WXBWVDKNLSZIQO-WSDLNYQXSA-N 442.269 4.212 50 40 IIGB COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)O 9263455 ZIOLUZFBDOPSFR-AWNIVKPZSA-N 442.269 4.170 50 40 IIGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccc(Cl)c(Cl)c2)c1 96399128 FTWISSJYFYBWKC-XKZIYDEJSA-N 442.368 4.178 50 40 IIGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccccc1O 100892344 YUBNXOLNDRUVPW-STZFKDTASA-N 444.607 4.477 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1OC(=O)c1cccc(C)c1 408718613 JHQYFUBAHNVAAK-QQXSKIMKSA-N 432.476 4.385 50 40 IIGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccc2ccccc12 408973493 STORVXVSSFJJJT-PVPASAESSA-N 431.536 4.208 50 40 IIGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)cc2)cc1 3322888 KOXGTXDTUGFEQM-UHFFFAOYSA-N 443.503 4.149 50 40 IIGB Cc1c(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc2n1Cc1ccccc1 9721015 YLEVMOOVKQEQQK-ZKWPTUIMSA-N 425.488 4.288 50 40 IIGB Cc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)c1ccccc1-n1cccc1 28618710 BVPCKOJFNNODFY-UHFFFAOYSA-N 446.532 4.449 50 40 IIGB COC(=O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)cc1 408727805 GPPDFBVXSXDCNJ-ZMFRSBBQSA-N 433.895 4.411 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 408739224 ABLBVIXXLOZGRO-CIAFOILYSA-N 443.459 4.406 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 408762095 CPCQWZYCXDJOKS-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cccc2ccccc12 408890742 YNDWLGXUOKVISK-NBVRZTHBSA-N 443.484 4.293 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)c1C 18173194 HGXOCJZFUZWXQB-WGOQTCKBSA-N 449.576 4.342 50 40 IIGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1cc(Cl)cc(Cl)c1 28217103 QYPSBFIEMYRZOQ-YSURURNPSA-N 434.352 4.433 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1F 33864215 VGFMZMAGRCPPSO-VULFUBBASA-N 435.455 4.136 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(O)cc1 59333110 RVLWPGCZGWUDAH-XLNRJJMWSA-N 426.520 4.056 50 40 IIGB O=C(CNc1ccc2ccccc2c1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100888430 CZRLETIBISPKCO-TVKQRKNISA-N 448.526 4.362 50 40 IIGB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)cc1 102644498 IEWLNNMMMZIYEQ-SYXFZUODSA-N 442.309 4.297 50 40 IIGB NNC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)cc3Br)o2)c2ccccc12 226769454 AXLKNERZADJKQP-UHFFFAOYSA-N 442.244 4.095 50 40 IIGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 408772809 IBSXFVUETCKKQM-JVWAILMASA-N 429.520 4.026 50 40 IIGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1OC 408846487 NQSAVRCMLADPIG-ZSOIEALJSA-N 448.260 4.163 50 40 IIGB COc1cccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)c1OC 1429104 SQZHQUMXIPKZJD-FOKLQQMPSA-N 449.345 4.427 50 40 IIGB COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(F)cc1 13922344 QPOKLGIFFHMSLV-MZJWZYIUSA-N 449.482 4.119 50 40 IIGB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1cccs1 41154221 HSNURMIFILQJLO-UHFFFAOYSA-N 435.442 4.360 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408795186 LMSHYBBTVHZMHL-GZTJUZNOSA-N 438.867 4.083 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccccc2)cc1 408865081 AXQJLPYEWHEUTR-UHFFFAOYSA-N 427.570 4.407 50 40 IIGB CCOc1c(I)cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1OC 409361422 HEHJMUXKZBGSEU-NSIKDUERSA-N 449.244 4.491 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 935174 NRQKYKSRYZGVSL-MNTXUITRSA-N 432.332 4.166 50 40 IIGB CCOc1ccc(/C(CC)=N/NC(=O)[C@]2(C)CC2(Br)Br)cc1 8399641 NHNWHZHUSNSMAD-SJPXOZHESA-N 432.156 4.212 50 40 IIGB O=C(Cc1cn2ccsc2n1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 9403708 WDSFSDNJUIYXNO-WSDLNYQXSA-N 432.534 4.003 50 40 IIGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 13102601 UKDSLRLHFMGNCL-XQNSMLJCSA-N 433.961 4.059 50 40 IIGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)c1ccccc1 28215323 AIVANMQPPROWME-AEIQVQRHSA-N 435.911 4.360 50 40 IIGB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(SC#N)c(Cl)c3)C2=O)c(C)c1 408534308 QFWJLZWHJNYPBP-NTEUORMPSA-N 426.885 4.109 50 40 IIGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408608242 VOMWJUVMRUKJJE-HXUWFJFHSA-N 440.569 4.450 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409379912 BZRUPETXHQYNGY-NDENLUEZSA-N 446.463 4.278 50 40 IIGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1O 1103935 PRMKWVCWUZHQQU-YDZHTSKRSA-N 427.298 4.399 50 40 IIGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 1479406 LGQRNIULQGFMII-CVKSISIWSA-N 442.548 4.189 50 40 IIGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@@H]2C1 6014854 JJHNKYUQHKBCLY-MOPGFXCFSA-N 435.915 4.000 50 40 IIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCC(C)CC1 9187333 VAEAYWXKUJORPU-CPNJWEJPSA-N 430.508 4.273 50 40 IIGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 16693989 PIHJFBINGSOLRQ-YVLHZVERSA-N 431.275 4.228 50 40 IIGB COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC 20916326 WETOIMCJFRRYRM-LFYBBSHMSA-N 443.264 4.257 50 40 IIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28213572 MKUAUZIVCBCQKB-CVKSISIWSA-N 447.560 4.396 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(OC)cc1 105055568 RFEVPXRGUYVOOI-QQXSKIMKSA-N 448.475 4.086 50 40 IIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C 408590510 PFWAEVXVXVXQPT-BHGWPJFGSA-N 425.872 4.249 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Cl)cc1 408602268 BHJJWMUOONTZFM-LJQANCHMSA-N 436.924 4.425 50 40 IIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408609410 RFLPNBOGILPUKD-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1 409330556 BCXRGYQFMOCDLG-SFHVURJKSA-N 441.940 4.449 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(O)c1 409391219 IAPKCEHMXINJSA-FSJBWODESA-N 442.313 4.335 50 40 IIGB Cc1nn(Cc2ccc(C(=O)NNC(=S)N[C@H](C)c3ccccc3)cc2)c(C)c1Cl 2795712 MNFLPCZVZXTZTA-CQSZACIVSA-N 441.988 4.072 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)OC)o2)cc1 9354636 ZLXKCZSVSVFZAE-NBVRZTHBSA-N 444.443 4.456 50 40 IIGB N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)NCc1ccccc1 309794213 PNYBGNHDMXTHST-MLPAPPSSSA-N 436.103 4.141 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(OC)c2)c1 408741484 MGNGEXLOKCCFHV-ZSOIEALJSA-N 431.286 4.411 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408755566 ONDVNICNMJACPN-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C 409007916 RTAVPMKOCVGIJJ-YUMHPJSZSA-N 445.519 4.484 50 40 IIGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 3146651 VLOGZGIECMBCGM-YZSQISJMSA-N 449.576 4.464 50 40 IIGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc(C(=O)OC)c1 8743652 ONBYHSKHGUANDW-ATVHPVEESA-N 449.488 4.368 50 40 IIGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)Cc3cccc4ccccc34)cc2)cc1 16593297 XPNNRFMDIGWXNL-UHFFFAOYSA-N 435.483 4.147 50 40 IIGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=C2CCCCC2)cc1 20060193 TXFNIYDTHDEOLE-UHFFFAOYSA-N 433.961 4.356 50 40 IIGB O=C(COc1ccc(/C=N\NC(=O)c2cccs2)cc1Cl)Nc1ccccc1F 33592099 OKKZIMPDSWHWJQ-KSEXSDGBSA-N 431.876 4.322 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(O)cc3Br)cc2c1 409187025 KZOIVLAQEWGTML-JJFYIABZSA-N 447.285 4.462 50 40 IIGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(Br)cc1F 3241129 BKWKERRYUBLLAS-GHXNOFRVSA-N 437.652 4.330 50 40 IIGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1Cl 6134813 POYJLPWXRIEWJE-ZUICHYAESA-N 440.931 4.265 50 40 IIGB N#CC1=C(N)n2c(nc3ccccc32)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 9716417 MQDNTWMWNMMKSR-FCHUYYIVSA-N 435.443 4.359 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(I)cc1 10118420 UVPFXVMEAYHDOH-SRZZPIQSSA-N 434.208 4.454 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NN(c2ccccc2)c2ccccc2)cc1 12619053 ILXDCHILWHLZOT-CAPFRKAQSA-N 427.460 4.015 50 40 IIGB Cc1ccccc1N1C(N)=C(C#N)[C@@]2(C(=O)N(C)c3ccccc32)C2=C1CC(C)(C)CC2=O 13567595 RUDOKYVKMDDELC-HHHXNRCGSA-N 438.531 4.067 50 40 IIGB Cc1c(C(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)sc(N)c1C#N 16249613 JNHGVIYYKXAOIM-AFPJDJCSSA-N 429.299 4.297 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)c(C)c1 58911786 GMBOTZVGKDRNHQ-MZJWZYIUSA-N 436.943 4.131 50 40 IIGB Cc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1Cl 101052766 JRLXFAQTVNDNFX-WRWGMCAJSA-N 435.543 4.075 50 40 IIGB O=C(N/N=C\c1cc(Cl)c(O)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408904884 PYTMLZSWEGQMCM-GXHLCREISA-N 438.621 4.226 50 40 IIGB COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408941172 JYWPDJLHOIDWGE-MXAYSNPKSA-N 439.899 4.147 50 40 IIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCC(=O)O 409068293 ILMWFXWJMLZDGJ-GZTJUZNOSA-N 440.883 4.476 50 40 IIGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccccc2Cl)c1 409227299 ZCRZJTVGTSSUNP-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c(OC)c1 945770 JKFRZRVNXKHROA-VULFUBBASA-N 426.476 4.110 50 40 IIGB COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc(Br)c1OC 1081808 VZPZEYVAEINGEB-WYMPLXKRSA-N 442.313 4.182 50 40 IIGB CCCCSC[C@H](O)C[C@@H](CCC(C)C)C(=O)NNC(=S)Nc1ccccc1 4733892 NFYICFLJOXJFKF-IEBWSBKVSA-N 425.664 4.341 50 40 IIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 13567708 QTYONMXRCFQMBS-DEOSSOPVSA-N 430.895 4.060 50 40 IIGB CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOc2cccc(OC)c2)c(OC)c1 13881199 KMGVBRFANOKIIB-MHWRWJLKSA-N 431.872 4.285 50 40 IIGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 16479151 PKCJZEITRSCDKV-UHFFFAOYSA-N 441.597 4.137 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)c(OC)c1 108202270 JFRBNVVLHUBQKY-ZMOGYAJESA-N 436.468 4.092 50 40 IIGB O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390831576 SPNGIXZVDISHKH-CRAIPNDOSA-N 431.620 4.228 50 40 IIGB CCOc1ccccc1NC(=O)N/N=C\c1cc(Br)c(Br)o1 408856665 KMQSWCYJIRRBPU-IUXPMGMMSA-N 431.084 4.359 50 40 IIGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1OC 409332121 JVKUIPILUZTNBW-WGARJPEWSA-N 438.455 4.194 50 40 IIGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1790223 NOMBTALDTBFWEN-FBKQIBBUSA-N 430.888 4.468 50 40 IIGB COc1cccc(/C=C/C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 13130892 BMXFMQWMMKOUMI-FOCLMDBBSA-N 438.487 4.022 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1ccccc1 59101868 SRKVVCVMSULILM-OVVQPSECSA-N 439.471 4.469 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)OC 408797744 SSUOFKPOJAHKMQ-RQZCQDPDSA-N 442.899 4.453 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(Cl)cc1 408804897 CCCGYCCEYWOTDP-SFQUDFHCSA-N 435.867 4.174 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2)cc1 408937698 OERCUUQFAIKKDO-AQTBWJFISA-N 436.464 4.448 50 40 IIGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1 409094357 DINGYIKCKLUDNA-WPWMEQJKSA-N 446.551 4.475 50 40 IIGB COc1ccc(/C=N/NC(=O)c2c(C)nc3n(C)c4ccccc4n23)c2c(OC)cccc12 854899 NTYLGNSPEWEKQL-VULFUBBASA-N 441.491 4.069 50 40 IIGB O=C(N/N=C/c1cccc2ccccc12)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 1030694 ZZDKDZBUEDJRCM-PDERCVKFSA-N 436.309 4.106 50 40 IIGB CCCOc1ccc(-c2cc(C(=O)N/N=C\c3cccc(Br)c3)[nH]n2)cc1 31830148 HVRRJJZJFIDWCS-XKZIYDEJSA-N 427.302 4.392 50 40 IIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408745242 QNTLZRJATCJTAO-YBEGLDIGSA-N 425.282 4.324 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409263896 CRVVTGOMJLWKNN-YUMHPJSZSA-N 445.519 4.484 50 40 IIGB N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1064848 KBAYSIWVNPHRMR-HXUWFJFHSA-N 441.560 4.477 50 40 IIGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(O)cc1 2101012 ZXABKRSBJNZEHD-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB CC(C)c1nc(SCC(=O)NNC(=O)c2ccco2)c2c3c(sc2n1)C[C@H](C)CC3 13065306 MXTMHWZCDKQDNB-GFCCVEGCSA-N 444.582 4.086 50 40 IIGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)o2)c1C 408810359 ISZVRFVBWKPMOG-AQTBWJFISA-N 430.460 4.274 50 40 IIGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1cccc(Cl)c1 408999828 XTSKLWGBCLNUAE-WSDLNYQXSA-N 434.949 4.478 50 40 IIGB Cc1ccccc1OCC(=O)N[C@H](C(=O)N/N=C/c1cn(C(C)C)c2ccccc12)C(C)C 409169911 RTEBTJGQCABBTF-LQMXFJIOSA-N 448.567 4.201 50 40 IIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 1468717 GIXKFSHBNGEAKR-MFKUBSTISA-N 441.447 4.328 50 40 IIGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)c1 2402825 ZMBRQNGZAYHVSF-OBGWFSINSA-N 428.492 4.151 50 40 IIGB CCOc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC 2502665 OPUNYQSQWXICTQ-IBGZPJMESA-N 431.286 4.170 50 40 IIGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1cccc(Br)c1 9668294 VTFNAHZOJCLICE-WSVATBPTSA-N 432.499 4.335 50 40 IIGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C\c3ccc(C(=O)OC)cc3)[nH]n2)cc1 30742646 WGFRYARPYLSXQZ-XYGWBWBKSA-N 434.496 4.196 50 40 IIGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4cccc(Cl)c4)c(=O)c23)cc1 31783562 GWKWZYQCFRIKDY-MRUKODCESA-N 436.924 4.237 50 40 IIGB CCCNC(=O)[C@@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C 100867841 QHSXTJMUCBVYHE-ZEGGKSINSA-N 446.021 4.198 50 40 IIGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)c1ccc(OCc3cscn3)cc1)C2 104595629 AAYMKLRXGQMJOP-SMRJGHISSA-N 441.553 4.197 50 40 IIGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccc(C)cc2)cc1 408779215 SGZBPAHJYNPTRZ-HAVVHWLPSA-N 447.626 4.450 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc([N+](=O)[O-])cc1 409001966 RLGUPWJEOLWZNN-FMCGGJTJSA-N 426.860 4.185 50 40 IIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409246795 BHDSMBOXGWZWSZ-DHDCSXOGSA-N 448.397 4.202 50 40 IIGB Cc1ccc(-n2nc(C)c([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2Cl)cc1 989339 XIBTXHFXFBAOLW-LJQANCHMSA-N 444.878 4.467 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1O 107698125 QKVVSPSUYLOOLL-SSDVNMTOSA-N 429.270 4.089 50 40 IIGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccccc2)cc1)CCCC3 408732403 QVKCLMPMMLJRLO-CVKSISIWSA-N 442.544 4.398 50 40 IIGB Cc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408776415 NYQTWCRZGUTAQM-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408788442 KBITVQVQZYFLRL-CXUHLZMHSA-N 443.297 4.163 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1Cl 408974595 ZZTDPECRPCMONB-HSOLMKNUSA-N 436.943 4.383 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409252651 CXNCZZSGQJUFIY-DICXZTSXSA-N 445.519 4.402 50 40 IIGB C[C@@H](/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccccc1 36235368 SUYCGLLIWZMDOA-BUCWYUPWSA-N 441.487 4.092 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1O 408567722 GFJNODVQPKSKIE-UFFVCSGVSA-N 438.958 4.062 50 40 IIGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1[N+](=O)[O-] 408780106 SGRLBTSLGZLQNS-HKWRFOASSA-N 442.475 4.419 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408796406 OCLYWNJUZVNING-LZYBPNLTSA-N 428.872 4.063 50 40 IIGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1O 409200599 ITFYMJXXIDXDAX-QPEQYQDCSA-N 436.205 4.368 50 40 IIGB COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c1 409268116 PYVFRHMDFQQWCE-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccccc1 9076025 JYXZUUYHRZNCKO-IMRQLAEWSA-N 442.544 4.327 50 40 IIGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)c1 9317584 KBZUVTMHBGPUSA-UHFFFAOYSA-N 430.504 4.307 50 40 IIGB COc1ccc(CNC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 24989676 ZNYGEPWDZRHLIC-UHFFFAOYSA-N 444.466 4.194 50 40 IIGB COc1cc(C=C(C#N)C#N)cc(I)c1OCc1ccccc1C#N 44786591 KKGQSYAWADZJDJ-UHFFFAOYSA-N 441.228 4.181 50 40 IIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br 408543755 SVALGNFNESNDLD-DHDCSXOGSA-N 427.254 4.258 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccccc1Br 408590615 PXPZRDXDZVUDJP-VMHRPQTGSA-N 426.314 4.040 50 40 IIGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccc2)c1 409224682 LWUFVUFBYWRJCD-UHFFFAOYSA-N 427.382 4.033 50 40 IIGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 409315657 JOPPWYSVUNWEAE-INIZCTEOSA-N 429.904 4.498 50 40 IIGB CC(=O)Oc1ccc2c(c1)C(=O)[C@@H](Br)[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 4900299 FIDNPUKFOJNBJX-RAYWZDFNSA-N 449.341 4.413 50 40 IIGB N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 9488040 PIORFQQSMYJFMG-DQRAZIAOSA-N 440.890 4.081 50 40 IIGB CCCCN(CCCC)C[C@@H](C(=O)Nc1ccccc1)/C(C)=N/NC(=O)c1ccncc1 16957720 JGTIVQGUKNVHLB-KHLYQPHASA-N 437.588 4.344 50 40 IIGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 17099720 NFKBMHBQBCLPPM-WGARJPEWSA-N 435.867 4.475 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408747081 ZFDPPEOPKBYWSW-QPEQYQDCSA-N 435.263 4.099 50 40 IIGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccco1 409218843 LIPOYOJUONKCGK-YVNNLAQVSA-N 448.218 4.478 50 40 IIGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1 948735 DEUKXEHHUZBHJN-XDJHFCHBSA-N 426.428 4.238 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cccc(Br)c1 988699 GDTPDPIAHVOHSF-QGZVFWFLSA-N 425.282 4.231 50 40 IIGB CCOC(=O)c1cccc(N2CSC3=C(C#N)[C@@H](c4cccc(OC)c4)CC(=O)N3C2)c1 9408631 QMKKNGGVFJNAIF-HXUWFJFHSA-N 449.532 4.091 50 40 IIGB COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1C 10021517 LMWWNMDVBOOOGU-ACRNLXFHSA-N 433.508 4.263 50 40 IIGB O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 12647888 NOTLZLMZOKNDFC-HSZRJFAPSA-N 449.938 4.173 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 35131782 XLGZYUZMWIXEST-ZHZULCJRSA-N 447.535 4.377 50 40 IIGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 409187586 SESYISPGOLPYOP-YBEGLDIGSA-N 443.297 4.325 50 40 IIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1cccc2ccccc12 2131905 LBLXDCSCNGBPEY-ZDUSSCGKSA-N 433.291 4.140 50 40 IIGB Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)cc1 2198476 BJINKEFUFVIZAR-ANEHGGCBSA-N 434.499 4.297 50 40 IIGB COc1ccc(OC)c([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1 2434517 SWYXAMMGGMRCCA-HNNXBMFYSA-N 425.485 4.062 50 40 IIGB aggregator CCOc1ccc([C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 21965788 KGAJQDSHPQFHBL-RPBOFIJWSA-N 435.531 4.011 50 40 IIGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1Cl 30822012 WULUUSOCHLHGMG-MXAYSNPKSA-N 426.831 4.471 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 33401855 LGGODOTXHBREHH-QGOAFFKASA-N 445.450 4.397 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1 33406442 MSCFKMSLJXPPSJ-ZHZULCJRSA-N 429.476 4.435 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2Oc3ccccc3O[C@H]2c2ccccc2)cc1OC 95532883 SXMHIRMDFRPNMA-PBGFEDEFSA-N 432.476 4.125 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408797687 SNOFAUPRQYFCFK-RQZCQDPDSA-N 442.899 4.453 50 40 IIGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C 408946971 ZWEVHNOKGFPYBX-BRJLIKDPSA-N 426.879 4.284 50 40 IIGB CC(C)(C)c1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 2134924 XDFROFXKUBZGHP-UHFFFAOYSA-N 436.339 4.471 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 2246735 JJTAHFYKFYPPDW-KRWDZBQOSA-N 428.275 4.323 50 40 IIGB CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC 2502664 OPUNYQSQWXICTQ-LJQANCHMSA-N 431.286 4.170 50 40 IIGB CC[C@H](C)Oc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 9262730 RZUDEVWEGFVTAM-LIOBOASVSA-N 433.302 4.451 50 40 IIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)cc1Cl 9374678 GLNSLSXTDXNMMJ-CQSZACIVSA-N 445.903 4.198 50 40 IIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 48572934 XNCPCOCASYIYGJ-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 68774497 ISWVBZXCMGYYOW-CQSZACIVSA-N 425.838 4.354 50 40 IIGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccc(I)c1 408784797 VEPLZYUXOHVNEY-VCHYOVAHSA-N 443.082 4.208 50 40 IIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(F)F 715684 GLQBWUZYUFVABZ-KRWDZBQOSA-N 426.375 4.011 50 40 IIGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CSC(c1ccccc1)c1ccccc1 23566319 XXYXRZJBJFFIPB-QGZVFWFLSA-N 438.524 4.263 50 40 IIGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408813765 RFDNYGZTAYPMCX-QGOAFFKASA-N 429.314 4.088 50 40 IIGB N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 408946492 ALHGBBBFSRRLOW-CPNJWEJPSA-N 425.444 4.392 50 40 IIGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)CSc1ccc(Cl)cc1 409213184 OYMXYHVXNJMQEN-YDZHTSKRSA-N 433.961 4.200 50 40 IIGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)n1 655062 XMDCFXNTELLNKR-FSJBWODESA-N 433.424 4.073 50 40 IIGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 2793007 PVJGWWLUVBHJGS-KPKJPENVSA-N 434.805 4.095 50 40 IIGB CC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 4391365 ZDRIVAKQLXDVJW-SFHVURJKSA-N 444.969 4.453 50 40 IIGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(-c2ccc(F)cc2)s1 20629417 PUHNFRBMKDDKGL-UHFFFAOYSA-N 445.324 4.484 50 40 IIGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 59233075 AHIPVQLMZBIWRL-LDADJPATSA-N 443.415 4.368 50 40 IIGB O=C(N/N=C\c1ccc(O)cc1O)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 105463801 GGGNARKCZSCQIG-BCHBDCPOSA-N 441.409 4.401 50 40 IIGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OC 409312987 ARMXDXRQXRGHAT-YSMPRRRNSA-N 434.492 4.364 50 40 IIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c1 636814 LQVRLPCPZDDLJT-DHRITJCHSA-N 442.581 4.407 50 40 IIGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1c(C)n(C)c2ccccc12 989892 GXGJEWQZCQXHRG-FOKLQQMPSA-N 428.330 4.395 50 40 IIGB COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COCC(F)(F)F 996596 GCFRRTILCGTGBQ-PXNSSMCTSA-N 442.441 4.368 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OC 59233055 OJLOPYFWYVBUEQ-NTEUORMPSA-N 431.286 4.411 50 40 IIGB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)o2)c1 252491680 LQPLXRZUFGVUJO-CPNJWEJPSA-N 444.443 4.374 50 40 IIGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccccc1 408691489 AMSIEHGLEIZQPM-ZMOGYAJESA-N 425.330 4.419 50 40 IIGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 408780798 KXOUCLIMMNJJJQ-LHLOQNFPSA-N 449.576 4.293 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408794547 SNYRKWBMCSJBPR-XDHOZWIPSA-N 443.415 4.418 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1cccs1 409111340 IGBJDJRECNFERN-HAVVHWLPSA-N 441.578 4.177 50 40 IIGB Cc1cc(Br)c(NCC(=O)N/N=C/c2ccc(F)cc2)c(Br)c1 1051741 GJUPEZUQXCGACZ-ODCIPOBUSA-N 443.114 4.221 50 40 IIGB COC(=O)c1cccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c1 1801198 DISYKLXEJVHMJI-HUUCEWRRSA-N 441.119 4.311 50 40 IIGB COc1cc(/C=C2\Oc3cc(OC(=O)CCCCl)ccc3C2=O)cc(OC)c1OC 2437225 UAYJCTXJXOKTKR-MFOYZWKCSA-N 432.856 4.253 50 40 IIGB C/C(=N/OCC(=O)N/N=C/c1cc(Br)c2ccccc2c1O)c1cccs1 16136695 LBQBREUNOWNDIN-ROCQOEELSA-N 446.326 4.260 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 33645943 NBOQGNYGPDPZTA-WSDLNYQXSA-N 429.270 4.490 50 40 IIGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 59383018 UCTZNOFMZJRKKZ-UHFFFAOYSA-N 433.961 4.362 50 40 IIGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N3C2)cc1 2433075 OYTAXOOIQGCHSZ-LJQANCHMSA-N 435.549 4.486 50 40 IIGB COc1cccc(C(=O)N/N=C(\C)c2ccc(NC(=O)Cc3ccccc3)cc2)c1OC 15934577 VHUIQLATQYDCQB-WPWMEQJKSA-N 431.492 4.039 50 40 IIGB Cc1cc(O[C@@H](C)C(=O)N/N=C\c2ccc(O)c(Br)c2)cc(C)c1Cl 32511867 WSEGXTFLSHGUEN-FSSNCEGPSA-N 425.710 4.343 50 40 IIGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 33656596 UJFONBZECLWEDB-LICLKQGHSA-N 429.314 4.470 50 40 IIGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1 58882978 HZYFFKOSBBFQIK-QFEZKATASA-N 437.883 4.130 50 40 IIGB C/C(=N\NC(=O)CSc1ncccn1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 59503033 MEVLCFXKNFQJDD-VULFUBBASA-N 439.928 4.015 50 40 IIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 408763394 NRZGJGDKAFIHLZ-GHRIWEEISA-N 443.415 4.368 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cc(C)cc(C)c2)cc1 408831860 VRGNRAFAKBAMRN-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB COC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@H]1c1cccs1 663454 WANSKVNUICFXBN-FQEVSTJZSA-N 440.546 4.242 50 40 IIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccncc1 1477607 ZHRFBJKSPMNZCG-AFUMVMLFSA-N 448.939 4.225 50 40 IIGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1oc2ccc(Br)cc2c1C 3444469 FTAHEBRTUGWYHX-UHFFFAOYSA-N 437.677 4.241 50 40 IIGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1OC 12275911 DNFKMJHARIPFJR-AOMKIAJQSA-N 442.924 4.000 50 40 IIGB Cc1ccc(S(=O)(=O)/N=C2/C(Cl)=C(Cl)C(=O)C(Cl)(Cl)[C@@H]2Cl)cc1 100497356 NNVXIKQRRZQEAL-XEQXHXIFSA-N 435.543 4.178 50 40 IIGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 226336567 NPYVKXZADQRZLQ-HWKANZROSA-N 446.128 4.347 50 40 IIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)NCc1ccco1 408602662 DCGQAAIIYNVZRI-LDADJPATSA-N 442.475 4.314 50 40 IIGB O=C(CSCc1ccccc1Cl)N/N=C/c1cc2c(cc1Br)OCO2 408720116 SLSCFORZCOGRBW-IFRROFPPSA-N 441.734 4.215 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1 409332738 HYDNSDXDUPAJHD-QGZVFWFLSA-N 427.913 4.059 50 40 IIGB Cc1cccc(C(=O)NNC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1 922150 HXKMAVGIIXIPQH-UHFFFAOYSA-N 446.507 4.298 50 40 IIGB COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 2269199 UERVJSUTXPWFJG-VUEBRRCKSA-N 445.475 4.068 50 40 IIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1 9402796 JAHKORKZXKSCBA-OGLMXYFKSA-N 447.564 4.498 50 40 IIGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 20086069 FVKHLAYZWIEGGX-QHCPKHFHSA-N 435.483 4.336 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC#N 32109286 CKGXZEPJEXMXMB-OQLLNIDSSA-N 426.270 4.214 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCC(=O)O 59249369 SIGXSOSENYHEFP-YBEGLDIGSA-N 426.856 4.086 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408861771 CZVGMEDUQZTRFJ-PTGBLXJZSA-N 441.578 4.101 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1Br 1295708 UTCBKQMXLXCYQH-LJQANCHMSA-N 437.297 4.170 50 40 IIGB CCc1cccc(CC)c1Nc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C)cc1 16162373 RQMLRYVXCDEUFA-UHFFFAOYSA-N 437.565 4.487 50 40 IIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1 27018554 YMLSGGMXLSDNEC-HEHNFIMWSA-N 442.519 4.164 50 40 IIGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 408996368 DFUIISJYMQUVIN-WYMPLXKRSA-N 447.988 4.017 50 40 IIGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1107282 ZWPBQOIMHMGXCP-LJQANCHMSA-N 427.372 4.179 50 40 IIGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888981 LBAAWKVCXBJRRP-YWDBVWQESA-N 447.491 4.161 50 40 IIGB CC(C)(C)C(=O)[C@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12 9159371 PKQDFEFGKHIRFZ-NJDAHSKKSA-N 426.472 4.074 50 40 IIGB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC(C=O)=C2Cl 9943121 WXGAGUZHJSCVFS-UHFFFAOYSA-N 434.857 4.180 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)o2)cc1 408544482 UDWCQAZSZXQAGE-AQTBWJFISA-N 430.416 4.367 50 40 IIGB CCOc1cc(C(=O)N/N=C\c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1 409322074 VZRNANBENVWPFX-QQXSKIMKSA-N 434.492 4.445 50 40 IIGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 1011050 DNSJSGDNQICWDW-SSDVNMTOSA-N 427.800 4.059 50 40 IIGB CCOc1ccc(C(O)(C(=O)N/N=C/c2cccc(F)c2)c2ccc(OCC)cc2)cc1 1410612 SHHBTNIPQSQZBW-WPWMEQJKSA-N 436.483 4.009 50 40 IIGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccc(O)c3)s2)cc1 2266173 POXJMUZMRAOSLV-KEBDBYFISA-N 430.580 4.087 50 40 IIGB C[C@H]1S/C(=N/NC(=O)COc2ccc3ccccc3c2)N(c2ccc(Cl)cc2)C1=O 12710070 XIMMKVOTCJJRKN-RZGNUADYSA-N 439.924 4.428 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)cc(C)c2Cl)c1 16269442 KOEGBLINHNGGSO-WYMPLXKRSA-N 438.311 4.454 50 40 IIGB Cc1cccc(C)c1NC(=S)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 16283306 RGPWVFMMIVDAEY-UHFFFAOYSA-N 442.548 4.183 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccc(C)cc1 100988861 SJXJEGPDRMFHBL-WDUNQMNWSA-N 425.941 4.129 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408791150 UWLWNRFTMXOIDE-MHWRWJLKSA-N 425.282 4.324 50 40 IIGB CN(C)c1cccc(OCC(=O)N/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)c1 408932153 BDBWVUMXEWDKOE-WGARJPEWSA-N 430.430 4.091 50 40 IIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)o2)c1 408989376 HPLLBRZKSUNKSC-DTQAZKPQSA-N 428.477 4.261 50 40 IIGB CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 409144322 XYBBQRAPTJKLDV-CVKSISIWSA-N 432.476 4.086 50 40 IIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(I)c(O)c1 32193980 JWFRKUUJLSGUSK-CNHKJKLMSA-N 435.048 4.068 50 40 IIGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/C(Br)=C/c1ccccc1 67192559 XOSCFQFHLNKZBH-UEKDOHQUSA-N 438.665 4.165 50 40 IIGB O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1cc2cc([N+](=O)[O-])ccc2s1 107817442 PHWOOWXIWPSJQY-GXHLCREISA-N 448.254 4.065 50 40 IIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(Br)c2)cc1OCC 409315963 PCLNTLOETKDFRR-XKZIYDEJSA-N 433.302 4.185 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccccc1 4196428 BZQLQZGBWCYFOX-ZMOGYAJESA-N 440.297 4.196 50 40 IIGB C[C@H](C(=O)N/N=C\c1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 6166257 DZOASSUFGCENIP-WMNNYHSGSA-N 449.363 4.355 50 40 IIGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCC1 20059543 CMZJSSYFHYFURX-UHFFFAOYSA-N 440.352 4.235 50 40 IIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 20764657 MLJZCPJGOHMOLU-JVWAILMASA-N 429.476 4.308 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(C)c1O 110138604 ZFXDOZVISHTXPC-FBCYGCLPSA-N 442.107 4.004 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408784260 AEITUPTZYLSPOO-IUXPMGMMSA-N 428.872 4.057 50 40 IIGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 409241943 ZLJXMJICXMQFMC-ZROIWOOFSA-N 427.382 4.379 50 40 IIGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc1 3025073 GCZKJHVJZDIECT-WSDLNYQXSA-N 438.753 4.478 50 40 IIGB O=C(N/N=C/c1ccc(F)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 3213434 SESMQIHVMMSTJA-YDZHTSKRSA-N 431.876 4.044 50 40 IIGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1OC 9292258 ZIXDIYUTPBSVNJ-GOSISDBHSA-N 438.871 4.061 50 40 IIGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12 9322155 MOZUSPBHUJJUSC-UYRXBGFRSA-N 425.444 4.392 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409365641 RECXPULTWKJOPE-CVKSISIWSA-N 436.895 4.383 50 40 IIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cn3)o2)c(Br)c1 9323511 HSRSTAHVXACORV-UFFVCSGVSA-N 429.230 4.085 50 40 IIGB COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)c1OC 12275588 FLYKGYJQPXPRML-AOMKIAJQSA-N 442.924 4.000 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 27015470 XGCWVPMDLBOUAJ-MFKUBSTISA-N 441.447 4.220 50 40 IIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28214071 YMRJJFCUNWAWMY-LEBHPONQSA-N 439.581 4.145 50 40 IIGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2)C2CCCCC2)c(C)c1 35351085 BCMZTJJCAHZGQM-XYGWBWBKSA-N 441.597 4.086 50 40 IIGB O=C(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)NCc1ccccc1 58914879 DMWNFKOJOPEOGF-DHRITJCHSA-N 430.291 4.410 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 59332993 IRSITSYZOKPWFB-AQTBWJFISA-N 440.330 4.261 50 40 IIGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N(C)C)cc2I)cc1 59334179 IBTZQBNESBGJPN-YVLHZVERSA-N 446.288 4.174 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccccc1C(=O)O 409213163 SPWVRMDBJMFULI-FSJBWODESA-N 440.297 4.319 50 40 IIGB CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1 2176400 PYEMMJLPOQVCFW-SRZZPIQSSA-N 425.710 4.420 50 40 IIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 15145137 SUIWYQFXDXSUNS-OPEKNORGSA-N 432.358 4.436 50 40 IIGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(=O)O)c1 33404769 HXUGKTPGFINKAC-NDENLUEZSA-N 442.427 4.208 50 40 IIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc(Br)cc1 59248017 BPIWMMDDLMBEOU-WSDLNYQXSA-N 432.705 4.422 50 40 IIGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccccc1Cl 83315083 MLLRVGDRLZTVHS-LSHDLFTRSA-N 436.693 4.054 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)cc1 408820059 UUUBRRRJADNWBE-BKUYFWCQSA-N 443.503 4.333 50 40 IIGB COc1ccc(/C=N/NC(=O)c2sccc2C)cc1COc1cc(F)ccc1[N+](=O)[O-] 2762868 BVOIMAHSQUHQTL-FOKLQQMPSA-N 443.456 4.455 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(OC)c1 13425256 QSLWYZUJGXYPED-LFIBNONCSA-N 438.439 4.025 50 40 IIGB CCOc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1 33408248 LXKLJCCGRSWSJR-AUWJEWJLSA-N 435.705 4.472 50 40 IIGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)cc1[N+](=O)[O-] 83295595 PIZPGXPZDJZASF-FBHDLOMBSA-N 444.241 4.395 50 40 IIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC 408830257 PCMZSPLYHNLFQQ-MHWRWJLKSA-N 440.883 4.314 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1Cl 408897296 RFKMOSMPIYJNHL-XYOKQWHBSA-N 438.652 4.499 50 40 IIGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2sccc2C)cc1)S(C)(=O)=O 409112782 BXXZXOBHSHYLLN-OEAKJJBVSA-N 441.578 4.095 50 40 IIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 2365501 UKXIGNDQXFEGMU-NRFANRHFSA-N 433.895 4.085 50 40 IIGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccco1 9668322 IKFHECBNEHHTPH-WSDLNYQXSA-N 443.253 4.034 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 16728787 ZPPZPCMTJJMSJF-CMYVBNMBSA-N 442.519 4.059 50 40 IIGB CCOc1ccc(CCCC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1 17098736 ALYLMFDSSXBHHS-FYJGNVAPSA-N 434.290 4.229 50 40 IIGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 57666172 UUQMFCIIOOZHBX-SSDVNMTOSA-N 446.232 4.449 50 40 IIGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 58913505 HTZXJYUWIHFENJ-DHRITJCHSA-N 438.915 4.153 50 40 IIGB O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc2ccccc2c1 169615965 WKKXVOBOSZBQMM-KOWPAETKSA-N 449.142 4.122 50 40 IIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1C 408599102 OTHXFBUNWUSCAZ-FSJBWODESA-N 426.860 4.428 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 409266238 PZIGLJKCXBHXGF-QDCCHXAWSA-N 447.922 4.422 50 40 IIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OCC 409310225 SHUREMTYARBLSC-MYYYXRDXSA-N 444.915 4.312 50 40 IIGB C[C@H](Br)[C@H](OC(=O)c1ccco1)c1cc2c(cc1Br)OCO2 1628437 PHSNVJRXZFHDSP-RTHLEPHNSA-N 432.064 4.452 50 40 IIGB N#C/C(=C\c1cc2ccccc2nc1Cl)c1nnc(N2CCOCC2)n1-c1ccccc1 9090859 AVQCMTYBMXNABV-XDJHFCHBSA-N 442.910 4.370 50 40 IIGB COc1ccc(/C=N/NC(=O)CSc2nc3cc(C)ccc3n2C)c2c(OC)cccc12 30822805 XQBRAEYGJXYLPH-DHRITJCHSA-N 448.548 4.295 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OC 408806495 AYZJHEJYPFQZAC-WQRHYEAKSA-N 441.325 4.418 50 40 IIGB O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1cc([N+](=O)[O-])ccc1O 408877872 XPSPXUMRDPKBNW-FMCGGJTJSA-N 425.828 4.297 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 409175374 RAYFRPUQWPITLP-HZHRSRAPSA-N 444.329 4.273 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c1 409212399 LWBDDBXCZVVXTG-STZFKDTASA-N 428.492 4.433 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(I)c1 3147689 YBIYIEUDCSATFR-CIAFOILYSA-N 430.245 4.217 50 40 IIGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 19948141 IUQPJXMXMKHPCP-YZSQISJMSA-N 449.576 4.464 50 40 IIGB CCCCCCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20219024 JOFYXSRBLWRRHM-ZJSXRUAMSA-N 445.567 4.009 50 40 IIGB CC(C)c1ccccc1-n1ccnc1SCC(=O)NNC(=O)c1ccccc1Cl 21437187 IKTJBRKAUGNLHV-UHFFFAOYSA-N 428.945 4.202 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OC(C)C 408805432 AZYWYDLRSYPUGY-RIYZIHGNSA-N 431.286 4.496 50 40 IIGB CCOc1ccc(/C=N\NC(=O)Nc2ccccc2Cl)cc1I 408904507 KPMSMMQMUUGHKU-GRSHGNNSSA-N 443.672 4.499 50 40 IIGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2[N+](=O)[O-])cc1 716020 KYKYKVNTCCZTMB-JOCHJYFZSA-N 431.448 4.297 50 40 IIGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OC 948106 CJDSOPHNDUWQSN-VGOFMYFVSA-N 442.718 4.458 50 40 IIGB N#CC(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)=C1Nc2ccccc2N1 2630566 LMWUMIMGUUYHQO-UHFFFAOYSA-N 436.427 4.493 50 40 IIGB O=C(N/N=C/c1cc(Cl)ccc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 3092000 LFGCLEGEYJSYEC-SKLSXVDLSA-N 425.897 4.028 50 40 IIGB CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 8425447 MHKIYMMTEMNCFE-UHFFFAOYSA-N 429.561 4.409 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1C 16700524 KJPMYVDEUHNMFF-CBIIRDDDSA-N 442.519 4.059 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OCC)cc3)c2C)c1 20764371 PBQHCVYOIQSFQH-WGOQTCKBSA-N 433.508 4.433 50 40 IIGB Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@@H](C)Oc3cccc4ccccc34)ccc12 50124353 LJRNKENQEBCVGB-OAHLLOKOSA-N 447.516 4.040 50 40 IIGB O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccc(COc2ccccc2)o1 103817926 UOKFKLJCVAXFHQ-SNTCSEMISA-N 428.916 4.197 50 40 IIGB COc1cc(/C=C(\C#N)C(N)=S)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 107930039 BWPUSNNPOGJKIK-AWNIVKPZSA-N 448.298 4.138 50 40 IIGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccccc2C)cc1 408706892 DUUISKBGYGAGIA-JFLMPSFJSA-N 434.927 4.467 50 40 IIGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)ccc1I 408768115 TUPXRLNZCCXRBR-YBEGLDIGSA-N 433.293 4.002 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408773780 SMRHZATYIKCTBZ-YYADALCUSA-N 449.576 4.348 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC 408814337 GVTRWHBGAFDVFI-ZSDFOQAISA-N 431.330 4.072 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408820553 YNQMKLJUUBNXMG-JCMHNJIXSA-N 428.536 4.392 50 40 IIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 409188173 XCWREEIQIDRLJY-CVKSISIWSA-N 433.508 4.188 50 40 IIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)c1 883510 DPRBGPIAKRWMHH-CPNJWEJPSA-N 438.487 4.405 50 40 IIGB CCOc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2298817 XWTSUJDZMVUXAH-LPYMAVHISA-N 429.429 4.071 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccccc1 19948457 OICXSYDJIVIVEF-LKUDQCMESA-N 435.549 4.039 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Br)cc1 408774643 WTXKRUFNGFCVID-YVLHZVERSA-N 429.314 4.468 50 40 IIGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C 408999656 RVNXZUFVQPGRQI-BRJLIKDPSA-N 439.899 4.283 50 40 IIGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)cc1 409149486 HPDAJFGQHSFBQW-DJKKODMXSA-N 426.108 4.293 50 40 IIGB N#C/C(=C\c1cccn1-c1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 4106566 RCPKQDNRXQLQCU-QGOAFFKASA-N 425.448 4.133 50 40 IIGB COc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1OCCOc1ccc(C)cc1 5929213 YXCVWSKACLHQNP-KOEQRZSOSA-N 425.529 4.427 50 40 IIGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1OCC 9413844 JKIHGMAQKASSJH-NRFANRHFSA-N 446.507 4.491 50 40 IIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 20209175 XXZOYBQDWVSCLD-NCELDCMTSA-N 443.613 4.436 50 40 IIGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br 33619793 NXCOZNIVVIECGR-XGICHPGQSA-N 435.661 4.355 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248184 HZMQDHZQEZTQQM-OCKHKDLRSA-N 429.432 4.036 50 40 IIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(I)cc2)cc1 408793596 FVKUHCHFKYZJDU-RVDMUPIBSA-N 446.244 4.014 50 40 IIGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)COc2ccc3ccccc3c2)c2ccccc21 409158102 KGJSYIMRJZSKAH-CCVNUDIWSA-N 442.519 4.021 50 40 IIGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1O 409199286 CADOWQWXWSGLHD-UFWORHAWSA-N 429.723 4.059 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OC 33471348 ZDGFVWNJPQDTPM-ZROIWOOFSA-N 431.286 4.411 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C 409010050 JITOSWIHOOJJCL-JFLMPSFJSA-N 449.482 4.314 50 40 IIGB O=C(N/N=C/c1ccccc1F)c1nn(Cc2ccc(Cl)cc2)cc1Br 1086925 VDHBLSVASNPYBK-LSFURLLWSA-N 435.684 4.250 50 40 IIGB Cc1ccccc1OCCn1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 6444199 HERRUFGRDDLTHM-HSZRJFAPSA-N 425.492 4.278 50 40 IIGB CCCCn1nc(C(=O)N/N=C/c2ccc(OCCC(C)C)cc2)c2ccccc2c1=O 13141518 MVCNBXFAYUEKRZ-YZSQISJMSA-N 434.540 4.385 50 40 IIGB N#C/C(=C/c1cc(Br)c(I)o1)C(=O)NC1CCCCC1 15231300 OFHWOLKCKKZFSE-TWGQIWQCSA-N 449.086 4.003 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c1 109031644 MVLDCVRDWJPRIJ-RWPZCVJISA-N 438.487 4.342 50 40 IIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1O[C@@H](C)C(=O)O 409246638 KALCKSUXNIFKOF-LFTLCWSBSA-N 435.263 4.400 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1Cl 409326659 MUZUVLBAOPZKQY-MRXNPFEDSA-N 441.940 4.368 50 40 IIGB C[C@H](OC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)NNC(=O)c1ccccc1 9255649 HHQPANLQNHUHKE-JTQLQIEISA-N 437.304 4.215 50 40 IIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccn1 12464556 OMLZWIADHHYYJH-UKWGHVSLSA-N 435.987 4.121 50 40 IIGB C/C(=N\NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1)c1cccc(Br)c1 26675924 YBZZODREJYSRIR-QNDYCBLQSA-N 431.330 4.427 50 40 IIGB COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 59505973 ZEUHZSDGXAAUGZ-FSJBWODESA-N 438.311 4.270 50 40 IIGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)o2)c1 408816066 SIQROBIIOZHMIV-UNOMPAQXSA-N 430.460 4.274 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)cc1 408846715 YTJMMPUVBCHURQ-HMAPJEAMSA-N 443.503 4.251 50 40 IIGB CCOc1ccc(/C=N\NC(=O)Nc2ccccc2CC)cc1I 408904764 OHQLKPIHVGERRY-NDENLUEZSA-N 437.281 4.408 50 40 IIGB Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccc(I)cc1 408998961 VNMVCMLACXDTEW-JAIQZWGSSA-N 433.249 4.056 50 40 IIGB CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCc2ccc(Br)cc2)N1 9492602 AQEOQQXWLKITSO-KRWDZBQOSA-N 430.327 4.157 50 40 IIGB CCc1ccc(-c2nc(C(=O)NNC(=O)N(CC)Cc3cccc(F)c3)cs2)cc1 9579224 DTKANZMZQFRJHY-UHFFFAOYSA-N 426.517 4.388 50 40 IIGB CCOC(=O)/C(C#N)=C\c1ccc(OS(=O)(=O)c2cccc3ccccc23)c(OC)c1 16682047 LCSMNHAWWFOODO-AQTBWJFISA-N 437.473 4.086 50 40 IIGB Cc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(C)c1 20193988 AAGWUGGVVQPYIJ-AWQFTUOYSA-N 440.135 4.227 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1F 59333085 RJVIDOYZQRXOTC-XLNRJJMWSA-N 428.511 4.489 50 40 IIGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 59459730 XHOUPLSORKRWIM-OEAKJJBVSA-N 438.281 4.330 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 408733823 AMPIKFKMQIMBEI-MHWRWJLKSA-N 428.872 4.226 50 40 IIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OCC)c1 958007 TYXCSOIBKXSQIC-OGVNVZGISA-N 436.420 4.082 50 40 IIGB COc1ccc(Cl)cc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 12371066 FYRNYEHMYMZABE-LXKNQZDASA-N 439.924 4.331 50 40 IIGB C=CCN1C(c2cc(OC)ccc2OC)=CS/C1=C(/C#N)c1nnc2n1CCCCC2 12600190 KUQBVWCNGUJHMA-NKFKGCMQSA-N 435.553 4.447 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c1C 408589524 LOSINZYSKBLVNJ-AFUMVMLFSA-N 434.496 4.321 50 40 IIGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)CC2=O)cc1 409170030 SONFITMGORSZTK-MPTKSEEOSA-N 441.531 4.331 50 40 IIGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(C(N)=O)cc1 409211552 OGSFVZDXFBYQBJ-BRJLIKDPSA-N 440.956 4.089 50 40 IIGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2ccccc2)cc1 1478260 KTDGZPWZAZZFQC-PCLIKHOPSA-N 443.532 4.185 50 40 IIGB N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccnc1 6474945 RXMIPBWQAXNQNI-HJPURHCSSA-N 433.471 4.133 50 40 IIGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Br)s1 8781055 XIAWMSSUWPEXOR-HYARGMPZSA-N 429.339 4.287 50 40 IIGB Cc1cccc(-n2c(SCC(=O)NNC(=O)c3ccccc3F)nc3ccccc32)c1 9120707 ASVLWZDBIOEFQB-UHFFFAOYSA-N 434.496 4.026 50 40 IIGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 9631423 IPVISTYZCCICLY-OQLLNIDSSA-N 444.476 4.454 50 40 IIGB CCc1cc(C)cc(OCCOc2ccc(Br)cc2/C=C(/C#N)C(N)=O)c1 23402392 PCDYRZFKURXDSN-BOPFTXTBSA-N 429.314 4.170 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(OC)c1 33389941 ITKNNHAHXRXZJR-WSDLNYQXSA-N 429.270 4.490 50 40 IIGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1 33571369 IEHOQJAHMZYQDX-ZSOIEALJSA-N 426.270 4.250 50 40 IIGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3/CCC[C@H](C)C3)cc2)cc1 35169655 MWHDKIOIRJHPEZ-JJXNMMKVSA-N 429.542 4.182 50 40 IIGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1 408848829 WHBOHBGWNKOXHU-KMQLEDBZSA-N 438.281 4.458 50 40 IIGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3ccco3)c2C)ccc1I 408994492 HUZRARWIFOZOBC-NHDPSOOVSA-N 447.276 4.364 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1 409047138 NHSGLLISCGIPEP-XMHGGMMESA-N 427.460 4.258 50 40 IIGB COc1cccc(/C=N\NC(=O)Nc2cccc(C)c2)c1OCc1ccc(C(=O)O)cc1 409186356 AVGHHOQOLYHNEW-QFEZKATASA-N 433.464 4.436 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1NC(=O)c1ccccc1 409208998 DZUHROJJDPMBSN-YDZHTSKRSA-N 439.313 4.015 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1 409272105 OOHHDLILJXSFMH-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1Cl 409311128 FJMSDWTYVADWAC-ZDUSSCGKSA-N 445.903 4.198 50 40 IIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(OC)c2)cc1OC 409311564 ASCXFVISZSLQIW-OYKKKHCWSA-N 432.904 4.475 50 40 IIGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccc(O)c1 1434868 YWEJCLSUYVNPIC-YDZHTSKRSA-N 439.265 4.138 50 40 IIGB CCCCSC[C@@H](O)C[C@H](CCC(C)C)C(=O)NNC(=S)Nc1ccccc1 4733897 NFYICFLJOXJFKF-HKUYNNGSSA-N 425.664 4.341 50 40 IIGB C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1cccc(I)c1 59473492 ICHLBGPATAKUEL-XSFVSMFZSA-N 438.334 4.373 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OCC)c2)c1 408740080 DAIIAKQYDDRNFA-RIYZIHGNSA-N 431.286 4.498 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC#N 408843000 CTQUGEDEAYCEKK-FMCGGJTJSA-N 442.269 4.260 50 40 IIGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 409073686 HTGZYZIXCFXQSS-ATVHPVEESA-N 426.314 4.140 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1Cl 409321803 UWMHEXVLTLSUPW-HNNXBMFYSA-N 441.940 4.368 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)cc1)C(=O)Nc1ccc(O)cc1 409370699 TVGBKDJGDYSBDE-GHRIWEEISA-N 431.423 4.094 50 40 IIGB C#CCN1C(=O)/C(=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccccc21 8915922 UWLNEFPGBZWGJD-RMLRFSFXSA-N 445.563 4.280 50 40 IIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(C)cc1 9614429 INRGZHMUDDCCDZ-JFLMPSFJSA-N 446.503 4.369 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1Br 39324360 UIOMSMYYZGBLQL-KRWDZBQOSA-N 425.282 4.231 50 40 IIGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 108904685 PHMKHTBCIVCFBW-LQKURTRISA-N 449.466 4.170 50 40 IIGB CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 408771999 MGGVITZILCBXRP-JXAWBTAJSA-N 440.341 4.104 50 40 IIGB O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 408839034 LVQVJQLBRGGOSN-UHFFFAOYSA-N 442.302 4.249 50 40 IIGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1 409225629 RMMIHQFUARBBPO-YTJYUMJPSA-N 439.811 4.224 50 40 IIGB O=C(CCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)NCc1ccccc1 3100975 UMOPVTGHPHYNFP-OGLMXYFKSA-N 449.938 4.466 50 40 IIGB Clc1ccc2nc(CI)c(CI)nc2c1 5085863 JUSSMMAJIDPHPB-UHFFFAOYSA-N 444.441 4.153 50 40 IIGB CC(=O)Nc1ccc(C2=N/C(=C\c3ccc(N(CCCl)CCCl)cc3)C(=O)O2)cc1 8434898 MKGLZHZLEZKIDH-ZHZULCJRSA-N 446.334 4.274 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1oc2ccccc2c1C 13001922 NFXDZCNKIVVAGB-OUKQBFOZSA-N 434.883 4.363 50 40 IIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 13567713 IEOSJUOOZJFJTQ-RUZDIDTESA-N 444.922 4.368 50 40 IIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 14361276 UVPXZJCBIHUOAP-OMPGICBESA-N 446.551 4.409 50 40 IIGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OC(C)C 96483856 OZHULRHRAMUGBB-ROTLSHHCSA-N 427.888 4.213 50 40 IIGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)COc1cccc(Br)c1 109037471 MVOLGKJYQJCLAO-FMCGGJTJSA-N 434.309 4.026 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)OC(C)C 408601917 MDKZRUXEEVRJIG-YBEGLDIGSA-N 428.872 4.225 50 40 IIGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccc(F)cc2)cc1 408706572 BSDQPMJBVHKAJL-MZJWZYIUSA-N 438.890 4.298 50 40 IIGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1 1108206 VFBYREXFODVBKF-AFUMVMLFSA-N 446.532 4.393 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2ccncc2)cc1 1479366 GTPABZLPBFRSQE-VULFUBBASA-N 446.511 4.019 50 40 IIGB COc1ccc(-c2n[nH]c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1OC 2484136 KVRKBPNKUKSBJA-INIZCTEOSA-N 426.835 4.105 50 40 IIGB O=C(CCCOc1ccc(Cl)cc1Cl)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4151084 SRSOZCMGFRQMDU-UHFFFAOYSA-N 429.216 4.112 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC)sc2c1CCCC2 16736022 UQSVOFVSFNXOFI-RVDMUPIBSA-N 440.521 4.366 50 40 IIGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(F)cc2)c1)C(=O)NCc1ccccc1 33401248 DJPFAPQPXCIUDK-DEDYPNTBSA-N 429.451 4.067 50 40 IIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59247897 XYOBWAVLLLNXSK-UKWGHVSLSA-N 443.459 4.345 50 40 IIGB Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1Cl 408881385 LBVPUGXLJWWUNO-UHFFFAOYSA-N 427.998 4.123 50 40 IIGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cc2cc(Cl)ccc2o1 409099983 SMDAAKKPJXDEJO-FBCYGCLPSA-N 438.621 4.226 50 40 IIGB CN(c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1)S(C)(=O)=O 409116226 MZXHYGSLTFPSNK-PCLIKHOPSA-N 431.517 4.153 50 40 IIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1 409127214 CAYAJXGVZKNFKW-BUVRLJJBSA-N 428.554 4.348 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccccc1Cl 409245063 MXEMUYYKGPNZBD-AUWJEWJLSA-N 434.279 4.073 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 409256680 NAVMDMWRAGLOJE-YUMHPJSZSA-N 445.519 4.484 50 40 IIGB CCOC(=O)[C@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 716377 RJMPPBZFWKSFOQ-RTBURBONSA-N 437.477 4.496 50 40 IIGB COC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 876080 DZSJGFAOXXPURB-LJQANCHMSA-N 443.912 4.174 50 40 IIGB Cc1sc2ncn(CC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)c(=O)c2c1C 1784038 PFYHCYQXKKDVHY-BRJLIKDPSA-N 432.505 4.017 50 40 IIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 2341862 PLDAYLLRGFOCJO-JOCHJYFZSA-N 445.544 4.154 50 40 IIGB COc1cccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c1 8863239 ONMHHTXMKDRZFV-KGENOOAVSA-N 444.607 4.472 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 13388038 KSIUZDIJCKLLFX-NBVRZTHBSA-N 443.415 4.368 50 40 IIGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1Br 30809211 LZZQOGIYDMBOLO-JJFYIABZSA-N 441.241 4.309 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c1 33582681 NMNNJOLGHOXETP-RWPZCVJISA-N 435.487 4.284 50 40 IIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38658311 YHKWIJAPEPVISC-DEOSSOPVSA-N 442.471 4.450 50 40 IIGB CCOC(=O)[C@H](/N=N/c1ccc([N+](=O)[O-])cc1)[P@](=O)(OCCCl)c1ccccc1 100900790 ZOOORKWNVPIUOR-GOLXZOGJSA-N 439.792 4.427 50 40 IIGB COc1cc(/C=C/C(=O)Cl)cc(I)c1OC(=O)c1ccccc1 226364575 IJOVANSDQHPBBD-BQYQJAHWSA-N 442.636 4.298 50 40 IIGB O=C(NNc1ccccc1OCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 408601824 BVPREGPGNMNORP-SFHVURJKSA-N 435.911 4.415 50 40 IIGB CC(C)c1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 31783254 ALIZITZFTLOUQN-UOJSZYSISA-N 436.581 4.418 50 40 IIGB COc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 35104835 GYPARYHFWWPSBW-QGOAFFKASA-N 445.450 4.397 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(F)cc1 107703720 RPDVFYAIAWNGTN-VULFUBBASA-N 435.455 4.136 50 40 IIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 408530797 MSBVWZCPMSEMAK-ZMOGYAJESA-N 449.423 4.166 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccccc1Cl 408608247 VPZPYCFHLOYOSG-IBGZPJMESA-N 436.924 4.425 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)C2CC(=C)C2)cc1Br 408733913 RPQMQYGLKDQLAC-DJKKODMXSA-N 428.124 4.193 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408777831 JVBLPDMHTVHSII-XQNSMLJCSA-N 435.977 4.382 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409160760 ZHWZCOQFKZFPPO-IYAOEYEUSA-N 447.922 4.422 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1 409306087 YIYNBSWZYWUYIC-SFHVURJKSA-N 441.940 4.449 50 40 IIGB CN(C)c1cccc(C(=O)NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 12546025 FTQDCKUIXIIPKT-UHFFFAOYSA-N 432.505 4.211 50 40 IIGB C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(I)cc1 20248225 VPACWFRSCRMNPB-GNUZOCDUSA-N 438.334 4.453 50 40 IIGB COc1ccc([C@@H]2CC(=O)N3CN(CCCc4ccccc4)CSC3=C2C#N)cc1OC 20348133 BPBHHKIGPCBDEL-FQEVSTJZSA-N 449.576 4.351 50 40 IIGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccccc1O 100968319 JPRHSUMMQIGHLG-ONUIUJJFSA-N 430.533 4.423 50 40 IIGB O=C(N/N=C\c1cc(Br)c(Br)o1)c1cccc(-n2cccc2)c1 408951206 IESBNSWMOCLBPS-GRSHGNNSSA-N 437.091 4.359 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1ccc(F)cc1 409086610 RFZPFUXKKIOAMI-JFLMPSFJSA-N 431.423 4.079 50 40 IIGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1cccc(Br)c1 409386427 LKORZSVQKDRUSF-ZMOGYAJESA-N 431.378 4.229 50 40 IIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(OC(F)F)cc3OC(F)F)ccc21 3319926 AKVALVYGHPYMEG-KIBLKLHPSA-N 438.381 4.331 50 40 IIGB C[C@@H]1CC2(CCCCC2)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cccc1c32 95115728 IWMLXEGTYCDVEI-WZQKQDCOSA-N 429.520 4.212 50 40 IIGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 408609674 LBZWSQNYPKVXGS-WPWMEQJKSA-N 429.520 4.479 50 40 IIGB COc1cccc(/C=N\NC(=O)c2cc3ccccc3o2)c1OCC(=O)Nc1ccccc1 408949109 RYVMLEMHUZCGNW-YSMPRRRNSA-N 443.459 4.223 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)n1 409244576 FTBQRGFVBRXMNI-LGJNPRDNSA-N 444.564 4.292 50 40 IIGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1Cl 409321805 UWMHEXVLTLSUPW-OAHLLOKOSA-N 441.940 4.368 50 40 IIGB CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@@H](C)C2 1768819 PNLIZBUQIBPKQU-JMKVTYIUSA-N 428.558 4.271 50 40 IIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 8780805 JRZRXZOFHHQARA-FSJBWODESA-N 435.311 4.264 50 40 IIGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N32)cc1 12275047 HNTGPROUFDEFIH-XMSQKQJNSA-N 426.925 4.382 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2OCc2ccccc2Cl)[C@H]2COCC=C12 19852969 ZFVRJOPQWBAQHV-NZQKXSOJSA-N 442.906 4.359 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408789859 NZJVQQVDJFIAQI-YYADALCUSA-N 449.576 4.348 50 40 IIGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408842456 PFKSAFLFAPMXLW-UYRXBGFRSA-N 449.532 4.229 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1C 409006055 HFCBVZSEJPNIFR-YUMHPJSZSA-N 445.519 4.484 50 40 IIGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 409319730 KZSSAUGRVRWDQO-QQXSKIMKSA-N 434.492 4.445 50 40 IIGB O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccccc1Cl 1801084 PQBVWNIJKQUREX-UFWORHAWSA-N 446.526 4.394 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 20059217 NHSUNJYHDATETO-WGOQTCKBSA-N 449.576 4.342 50 40 IIGB C#CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br 33957731 BRMREQBYISDFEB-ZVHZXABRSA-N 437.293 4.387 50 40 IIGB N#C/C(=C\c1cn(CC(=O)N2CCCCCC2)c2ccccc12)C(=O)NCc1cccs1 59087051 XFRYRTFSVCEBFH-XMHGGMMESA-N 446.576 4.329 50 40 IIGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408725610 MORQADPOQDOLOX-ZROIWOOFSA-N 429.270 4.274 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)O 408981894 DMIHFQVEDWMBGD-ACAGNQJTSA-N 435.263 4.320 50 40 IIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409006969 LVAVBAVAEIUVPH-PKAZHMFMSA-N 445.519 4.104 50 40 IIGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)OCO3 409104583 FWWJXFSTTNQQFG-QHCPKHFHSA-N 443.415 4.121 50 40 IIGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409232708 BLDJAUZTHVRYRV-WGARJPEWSA-N 430.439 4.430 50 40 IIGB COc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 8452596 URUZKICNQGUEFN-SRZZPIQSSA-N 426.256 4.220 50 40 IIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1 12274968 YAIPOTRJBYTPPD-UWJYYQICSA-N 446.450 4.357 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1 59101421 LGHJQWIPKMOTRQ-JVWAILMASA-N 445.519 4.370 50 40 IIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59336230 ACZIMROZTMOQEI-ZROIWOOFSA-N 449.290 4.490 50 40 IIGB CC(C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408608195 GSVSGPPHIUOHKG-NUGSKGIGSA-N 442.730 4.201 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)ccc1O 408781320 BLCSSRMJJUNFOK-JVWAILMASA-N 429.520 4.113 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC(=O)c1ccccc1 408886015 CSPGBFQVGUPSNS-QGOAFFKASA-N 442.427 4.158 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)n1 1101060 DOJHXRHONGFBFT-BHGWPJFGSA-N 433.459 4.145 50 40 IIGB CCN(CC)C(=O)c1cccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)c1 96305239 OFXQCMSCXBJBHD-ZFJBLLOBSA-N 436.556 4.340 50 40 IIGB C=C1CC(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)C1 107824116 AQVHIYVNRDNCKA-FSJBWODESA-N 429.314 4.453 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1N1CCOCC1 408554179 QOTYFTOIRXJFGS-QGOAFFKASA-N 432.549 4.189 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2=O)cc1C 409150550 CQOBEILBHZRDNP-JPJGIZCJSA-N 441.531 4.386 50 40 IIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1OCc1cccc(C(=O)O)c1 409378076 NENOEVLEDUXBDH-UYRXBGFRSA-N 444.443 4.224 50 40 IIGB COC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@@H]1c1cccs1 663452 WANSKVNUICFXBN-HXUWFJFHSA-N 440.546 4.242 50 40 IIGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(O)(c1ccccc1)c1ccccc1 1083305 JWEFSTNFERXGNP-YZSQISJMSA-N 441.443 4.241 50 40 IIGB N#CC(C#N)=C(/N=C(/Nc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F 1737907 GYFZWSYDOJYBMG-UHFFFAOYSA-N 430.302 4.225 50 40 IIGB CC[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 2750952 LIUDMMMUMLQWAE-FZJZADEZSA-N 426.860 4.448 50 40 IIGB CCn1c(C)nc2cc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccnc3)ccc21 9087013 YMMDKWBIPIEMQC-LQKURTRISA-N 449.518 4.376 50 40 IIGB Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)cc1Cl 12462308 CPYAHXDKWJZHQG-XMMPIXPASA-N 430.895 4.060 50 40 IIGB CCCCN(CCCC)C[C@H](C(=O)Nc1ccccc1)/C(C)=N/NC(=O)c1ccncc1 17211455 JGTIVQGUKNVHLB-YSPSMDFVSA-N 437.588 4.344 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 20240450 SDPCFOXNMCTJOG-XAYXJRQQSA-N 426.564 4.158 50 40 IIGB Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@H](C)Oc3cccc4ccccc34)ccc12 50124355 LJRNKENQEBCVGB-HNNXBMFYSA-N 447.516 4.040 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2C)cc1 58887856 RWCFCWXRABZFRD-VNSNFZHPSA-N 447.535 4.235 50 40 IIGB CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 195530297 UUPGMLSMMQJYPY-RCBQXRERSA-N 425.573 4.295 50 40 IIGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2cccs2)cc1 408708780 SQEPDKWUDQCOJT-WYMPLXKRSA-N 426.929 4.220 50 40 IIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@@H](NC(=O)OCC)c1ccccc1 409001975 LGRUGMREKNKTDL-MORQCWLFSA-N 443.503 4.179 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccc(C)cc1 409024741 GUCNMPLXAUPNIC-LHLOQNFPSA-N 449.576 4.424 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 409029296 YPPWXIWKCFHNIH-YYADALCUSA-N 449.576 4.348 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccccc2)cc1Cn1nc(C)c(Br)c1C 2211812 PXJWGSGUVLMGSX-FSJBWODESA-N 441.329 4.083 50 40 IIGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)c1 4691629 XSYDKYUDLXFNNP-NRFANRHFSA-N 435.505 4.089 50 40 IIGB N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 15226324 KMZAHFVGNQIJPA-WQRHYEAKSA-N 443.415 4.418 50 40 IIGB CCOc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 20060116 FWUSSKQVHXIRBD-UHFFFAOYSA-N 443.569 4.025 50 40 IIGB O=C(Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)NNC(=O)c1ccccc1 84519296 AWIXEDOHZKFMST-UHFFFAOYSA-N 439.302 4.471 50 40 IIGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1Nc1ccccc1C 408707097 GVVXHBBESYLPTL-AFUMVMLFSA-N 436.899 4.489 50 40 IIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC)cc1OCC 409311646 GUKJSTPYCFNELC-XKZIYDEJSA-N 435.318 4.409 50 40 IIGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc(Cl)cc1 657583 ZYYJFFYWESZPQM-ZVBGSRNCSA-N 426.698 4.082 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccs2)c(Br)c(Br)c1O 989499 CYRHTYUTMDLXQN-REZTVBANSA-N 448.136 4.141 50 40 IIGB O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Br)cc1 3166186 LRLCJLXVTMFHOZ-FOKLQQMPSA-N 442.235 4.337 50 40 IIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)cc1Cl 12276768 AWFDODCJHXNEMT-INIZCTEOSA-N 429.904 4.498 50 40 IIGB Cc1cccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(N)=O)c1 12374288 HZAKGCXFOADDSE-HDAKKWKLSA-N 432.332 4.213 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1 13923149 GGPHNTLFMOIJBW-WGOQTCKBSA-N 431.492 4.062 50 40 IIGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O 20212461 JGMXPWGGETXTNY-UHFFFAOYSA-N 427.998 4.123 50 40 IIGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1O 28217705 NUBAUWHKVZKJAQ-UFWORHAWSA-N 429.723 4.059 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1Cl 59516255 MSJWUCCFZHRPSS-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB CC1(C)C(=O)O[C@H]([C@H](Br)[C@H](Br)c2ccccc2)C(C)(C)C1=O 97957088 FSEOTGDTOQKUGQ-JHJVBQTASA-N 432.152 4.433 50 40 IIGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c1 408725691 ISBYYSVUTZBXTQ-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)cc1 409327356 SNNQNDVBVSKUHH-IBGZPJMESA-N 435.549 4.413 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2235343 PXZVSZXMDIFXFA-OBGWFSINSA-N 442.519 4.302 50 40 IIGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)N1CCCCC1 2418302 VGGQITINBFUHHB-JQIJEIRASA-N 434.883 4.060 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 59960651 LUKKQGLDZBTNRP-AFUMVMLFSA-N 438.915 4.235 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1cccc([N+](=O)[O-])c1 408785549 ZPYNHZWQZPWPNU-NLRVBDNBSA-N 428.492 4.307 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1F 408944350 VECRZMUBVKWUFC-JFLMPSFJSA-N 428.467 4.475 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408977008 CAQFTHKTGREXRC-SDGJFRJFSA-N 427.504 4.263 50 40 IIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCC1 1104529 GXNYQXCGJHKDFP-UHFFFAOYSA-N 447.988 4.357 50 40 IIGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCCOc1ccc(C(C)(C)C)cc1 13940736 XGAWQYLWIGKTKV-AFUMVMLFSA-N 433.936 4.496 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 15981919 XLGZYUZMWIXEST-XSFVSMFZSA-N 447.535 4.377 50 40 IIGB COCCNC(=O)/C(C#N)=C/c1cc(Br)c(Oc2ccc(Cl)cc2)o1 17094600 CTPKFMGSDQKSMC-DHZHZOJOSA-N 425.666 4.157 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Br)o2)c(C#N)c1C 408547194 UNGOGOAAPHQESW-IZZDOVSWSA-N 433.283 4.179 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 408753540 JJGYLQUYKRKDJW-WSDLNYQXSA-N 443.253 4.034 50 40 IIGB CCOc1ccc(NC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 408950534 GEBGIALYLKNJLI-IUXPMGMMSA-N 431.084 4.359 50 40 IIGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCc1ccc(C(=O)O)cc1 409184156 JFDWMRBCDSQXBC-DHRITJCHSA-N 438.867 4.390 50 40 IIGB COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 409265558 IVZGMSLICQGIEI-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCC 409378950 STFZVSYGVMMNSP-SXGWCWSVSA-N 432.318 4.342 50 40 IIGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCOC)c(C)c1 16713600 NGLZBVNMQAMWDD-CAPFRKAQSA-N 444.535 4.306 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)o2)ccc1Cl 108188599 OZZNYNTUDWTKNI-WYMPLXKRSA-N 439.855 4.109 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c(C)c1 408644066 GTELGIGMJLTPGS-PXNSSMCTSA-N 431.891 4.219 50 40 IIGB CCn1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c2ccccc21 408747535 PIDOAFQEOIACOK-SRZZPIQSSA-N 447.276 4.038 50 40 IIGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408793885 GMLHNNGVRWUJRH-MHWRWJLKSA-N 425.282 4.324 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1ccccc1 408802302 YYBQOSSYINSBRI-DPGBSSNNSA-N 447.535 4.315 50 40 IIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1Cl 409017435 ZYIDJQZYLZCORW-ROTLSHHCSA-N 428.275 4.083 50 40 IIGB CN1CCN(c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)CC1 409037806 UCHIAHPESSVYDG-IMRQLAEWSA-N 439.519 4.011 50 40 IIGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OCC)cc4)c32)cc1OC 6162493 GYLKTHWKPYUIAJ-NRFANRHFSA-N 446.507 4.491 50 40 IIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 14134927 VKCGEEAEYJYRCM-CIAFOILYSA-N 428.242 4.310 50 40 IIGB COc1cc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)ccc1OCc1ccc(C)cc1 18167768 OVGPJNMXMSHKET-JFLMPSFJSA-N 441.491 4.132 50 40 IIGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc(Cl)cc1 28217769 MWCURDXEYHUVPX-LSHDLFTRSA-N 436.693 4.054 50 40 IIGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(Br)cc2)N2C(=N1)SC(C#N)=C2N 408602225 BCMVZOZPARKZFV-INIZCTEOSA-N 447.358 4.177 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OCC 408752620 IUSXROQDAFBXFZ-WSDLNYQXSA-N 435.318 4.327 50 40 IIGB O=C(N/N=C\c1cccn1-c1ccc(C(=O)O)cc1)Nc1ccc(Br)cc1 408933695 KDYWUSKSFVFHPQ-MTJSOVHGSA-N 427.258 4.094 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC(=O)O)cc1Cl 408991959 RUKVBIHZYRXQLY-MLPAPPSSSA-N 449.688 4.420 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)cc1 409004589 APFLJSBEOYLQOY-WSDLNYQXSA-N 427.254 4.260 50 40 IIGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(I)c3)o2)cc1 409016519 UZXYKCGOKPQARJ-WSDLNYQXSA-N 441.228 4.187 50 40 IIGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 409187024 KZJBCOARFCFPNC-YUMHPJSZSA-N 446.503 4.213 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC(=O)OC 659701 GBUSFHFNHOBNOS-VULFUBBASA-N 446.459 4.300 50 40 IIGB CC1(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)OCCO1 1101162 JMWPATIJQUHIKF-JVWAILMASA-N 427.504 4.446 50 40 IIGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 1249439 AMPSOZLIFMIFKQ-FOWTUZBSSA-N 449.488 4.368 50 40 IIGB COc1cc(C(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)cc(OC)c1OC 2658685 RLQNMYVGHDIATB-SSDVNMTOSA-N 446.916 4.330 50 40 IIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1cccs1 9614407 UUQSPCZXQBWASW-ZMOGYAJESA-N 438.505 4.122 50 40 IIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 2365503 UKXIGNDQXFEGMU-OAQYLSRUSA-N 433.895 4.085 50 40 IIGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 3088653 RPKWFLVCOHONPR-FSJBWODESA-N 436.295 4.046 50 40 IIGB O=C(O)c1ccc([N+](=O)[O-])c2c1NC[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445743 FGRUSOUYEDNLRK-WFQKOJPZSA-N 449.872 4.499 50 40 IIGB Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21286881 MDTMNGVSZOLWBJ-UHFFFAOYSA-N 427.427 4.159 50 40 IIGB C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1 22924847 IAFFYGUXUOCODX-ZXVVBBHZSA-N 434.971 4.151 50 40 IIGB CCCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)C(C#N)=C3C)o2)ccc1Cl 27551153 YXUNQTOSZNFAKU-WJDWOHSUSA-N 438.867 4.437 50 40 IIGB Cc1ccc(C)c(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1 408707062 GPBLUCUXVGMYCR-WYMPLXKRSA-N 445.361 4.032 50 40 IIGB Cc1ccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCC(C)C)cc1 408708983 VYWOLYOGMFQICV-ZMOGYAJESA-N 445.361 4.114 50 40 IIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)c1 408745653 OBXAELFAUYOMKT-AUWJEWJLSA-N 449.290 4.490 50 40 IIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)o1 408894638 JYYNUIOLBUZUIG-JLHYYAGUSA-N 433.376 4.107 50 40 IIGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1cccc(I)c1 408995120 JDWNJESHEGGPLL-XKZIYDEJSA-N 443.288 4.463 50 40 IIGB COc1cc(/C=N/NC(N)=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 409077642 GGTVMOQGCSQSHZ-QPSGOUHRSA-N 447.116 4.346 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1cccc2ccccc12 409237575 VQNQCODVDCIECQ-MFOYZWKCSA-N 435.867 4.183 50 40 IIGB CCOC(=O)C1=C(C)NC(SCC(=O)OCc2ccccc2)=C(C#N)[C@H]1c1ccco1 1270276 SLWMRERIVVOKDC-NRFANRHFSA-N 438.505 4.015 50 40 IIGB O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 2135524 ZVGVMEWVBFQHOS-UHFFFAOYSA-N 437.135 4.250 50 40 IIGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(OC(F)F)cc2OC(F)F)cc1 3319855 OBYUMLSFPOJEJM-BRJLIKDPSA-N 427.398 4.500 50 40 IIGB O=C(NNC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(COc2ccc(Cl)cc2)cc1 14071483 XUNYCFWPKRJAFG-NRFANRHFSA-N 438.936 4.397 50 40 IIGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 20197724 OATGOJJBJJBJTD-WGOQTCKBSA-N 433.508 4.433 50 40 IIGB CSc1nnc(N2C(N)=C(C#N)[C@H](c3ccc4[nH]ccc4c3)C3=C2CCCC3=O)s1 31818147 MMHZSMRXEBAVLF-KRWDZBQOSA-N 434.550 4.046 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1OC 408759454 FHIRKEQLHAXJIV-UVTDQMKNSA-N 448.260 4.244 50 40 IIGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 409068861 JPFIFBOUXGSJOZ-CPNJWEJPSA-N 431.448 4.280 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 3202119 FLURATFVPOICDC-FOWTUZBSSA-N 431.414 4.096 50 40 IIGB CCOC(=O)c1csc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)CCl)n1 8754827 RTALRVTYNUKYAR-UHFFFAOYSA-N 425.297 4.003 50 40 IIGB COc1ccc(C(=O)N/N=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1OC 9882502 BQROHIYMWBXGIL-FOKLQQMPSA-N 433.295 4.269 50 40 IIGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2cccs2)c(Br)c1 12289899 LXYPFVWHBMTLDK-VQHVLOKHSA-N 437.359 4.048 50 40 IIGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1O 14134719 YUADOMXSJASRCM-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB C[C@H](O/N=C\c1ccc(Br)cc1)C(=O)N/N=C/c1sc2ccccc2c1O 16322125 KLIUUYZUXAVNQC-LPIOHSFRSA-N 446.326 4.259 50 40 IIGB CC(C)=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 19926435 PLZFEISIOFDAGQ-UHFFFAOYSA-N 428.341 4.009 50 40 IIGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 59499243 YSQFCQOMOOSYOO-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 107734916 BCYLVQCEGKQZHZ-SSDVNMTOSA-N 426.816 4.231 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c2C)cc1 408744287 XQXDHEZZWCUPRN-MZJWZYIUSA-N 432.524 4.060 50 40 IIGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccc(Cl)cc1 408995501 AQRKLFPRSWMKCO-WSDLNYQXSA-N 434.949 4.478 50 40 IIGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2cccc(F)c2)cc1 409023118 DQPDAXHJYGTSRW-MBTHVWNTSA-N 429.451 4.482 50 40 IIGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1 409194698 LJEANKIQAGBDRY-RDHGPGFCSA-N 443.503 4.301 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)cc1 409390019 BNKYVRBGCDRCAB-JFLMPSFJSA-N 427.460 4.449 50 40 IIGB Cc1cc(/C=N/NC(=O)c2nn(C)cc2Cl)c(C)n1-c1cccc(Br)c1 673254 ADSWIKCQLGRSJH-ZVBGSRNCSA-N 434.725 4.007 50 40 IIGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 2246779 WQGKIPBVEZUSDH-GOSISDBHSA-N 439.302 4.125 50 40 IIGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc2ccccc12 8426837 COBCJTJNUNCAMK-ITYLOYPMSA-N 443.528 4.185 50 40 IIGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 9948722 XVWDHGZGSXHHSS-SLEBQGDGSA-N 433.895 4.095 50 40 IIGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc(N)c1C#N 16249611 WFHKPXHPJVFKDN-GZIVZEMBSA-N 429.845 4.096 50 40 IIGB Cc1nc(CC(=O)NNC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)cs1 32795044 XSWKEJMKIFWQEU-FQEVSTJZSA-N 428.583 4.299 50 40 IIGB CN(C)c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1Br 96602613 VMEJWZLZHWYZBU-XNTDXEJSSA-N 433.313 4.219 50 40 IIGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409008319 VUHIFXHIVBDWKK-MFKUBSTISA-N 432.480 4.177 50 40 IIGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)cc1 409127610 OGZKYZZYPCOACG-BUVRLJJBSA-N 441.940 4.237 50 40 IIGB Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 409224213 JAGGUGHBJRGMQN-UHFFFAOYSA-N 441.409 4.341 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1O 714140 WCYIDYMHTCWAMD-QFIPXVFZSA-N 433.483 4.481 50 40 IIGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 934989 AOTSAGNGHUIXMX-CKVBZJJFSA-N 443.528 4.331 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cc1ccc(Br)cc1 9289338 UVDRSGFIZOJXLL-WSDLNYQXSA-N 431.721 4.289 50 40 IIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 14361274 UVPXZJCBIHUOAP-WBXNBBAKSA-N 446.551 4.409 50 40 IIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(Br)cc1 14920377 GNMNPWCQVNZFFM-FYJGNVAPSA-N 431.290 4.112 50 40 IIGB O=C(N/N=C/c1ccc(Cl)s1)c1cc(Br)cc(Br)c1O 408967468 RZNGVMRWQRAWOU-FZSIALSZSA-N 438.528 4.396 50 40 IIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OC(C)C 409233763 WVWIMULYWQEQLD-FMCGGJTJSA-N 437.309 4.467 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 409332570 HGXZBWUJBBYSAN-IBGZPJMESA-N 435.549 4.331 50 40 IIGB O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1ccncc1 3658935 GJVUXPLEBIMADS-KEBDBYFISA-N 425.451 4.108 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)cc1Cl 6177820 GUUPSZSCGBFBEB-WYMPLXKRSA-N 435.355 4.300 50 40 IIGB CCCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCC 8812907 SQNPSQIAKDULIA-LPYMAVHISA-N 435.318 4.409 50 40 IIGB CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)ccc1OC 12275268 AKOBVJPPCWZIQK-HOYKHHGWSA-N 436.533 4.046 50 40 IIGB Cc1cccc2nc(NC(=O)[C@@H]3[C@@H](C(=O)OC(CCl)CCl)[C@H]4C=C[C@H]3C4)sc12 103070514 JILVMJIBZXMCPT-APYUEPQZSA-N 439.364 4.371 50 40 IIGB O=C(NNc1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408603319 GHRLNRWLMOBMPW-QGZVFWFLSA-N 437.446 4.040 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)cc1 408951091 LBJRDRPXEJXCII-ZHZULCJRSA-N 439.471 4.480 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc2ccccc2c1 409233014 CWXBLRYIKHAJHR-NVMNQCDNSA-N 435.867 4.183 50 40 IIGB Cc1nnc(SCC(=O)N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)s1 4082509 AGXXFPSTYKDTSW-AUEPDCJTSA-N 439.541 4.231 50 40 IIGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1 4180709 NWUDJKNMWSNHID-ZMOGYAJESA-N 426.517 4.242 50 40 IIGB CCCCCCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20219030 JOFYXSRBLWRRHM-URXFXBBRSA-N 445.567 4.009 50 40 IIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC)cc2)c(OC)c1 27563570 GQQSNJNLNZFGMC-VMIIEYAXSA-N 446.503 4.312 50 40 IIGB CC(C)c1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 31783258 ALIZITZFTLOUQN-QGALQIDWSA-N 436.581 4.418 50 40 IIGB O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(-c2cc(Cl)ccc2Cl)o1 32118743 LXCHYAOLRUSGBT-UHFFFAOYSA-N 440.333 4.264 50 40 IIGB C/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 408957528 UTXVRLSMWIZZML-IVGLGHLBSA-N 435.176 4.052 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccccc1 409027085 XLAJOSWABATGLJ-NCELDCMTSA-N 435.549 4.115 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 409071216 GAAAXWCXPKGTJU-JXAWBTAJSA-N 434.473 4.009 50 40 IIGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 409265163 SOAURWWZOMOFKN-PXLXIMEGSA-N 425.488 4.236 50 40 IIGB O=C(CNC1CCCCC1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 409369710 FCRYILMDINYJHG-AFUMVMLFSA-N 444.373 4.401 50 40 IIGB N#C/C(=C\c1ccc(OCCN2CCOCC2)c(Cl)c1)C(=O)c1c[nH]c2ccccc12 98056588 AEWUOYOLSDOVHP-QGOAFFKASA-N 435.911 4.322 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1OC 408599313 SMTLTKFUMUHLFQ-NTUHNPAUSA-N 429.885 4.433 50 40 IIGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408608209 GUHRPRDEEQXPTD-LYORIEDSSA-N 440.302 4.076 50 40 IIGB O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1ccc(Br)cc1 830468 GCCFFXQHMXTPIM-ZMOGYAJESA-N 434.297 4.011 50 40 IIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 3116500 BWFCRHZEOZQVQO-DHRITJCHSA-N 426.831 4.227 50 40 IIGB CCOc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(C)cc2C)=C1C#N 8969171 LTDQESJRMLNJJU-GOSISDBHSA-N 435.549 4.413 50 40 IIGB CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 20764399 QJYYNWPXWUDMHG-ZVHZXABRSA-N 436.468 4.174 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 58913454 RFTAXRVWTOXYNI-AFUMVMLFSA-N 438.915 4.235 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCc1cccc2ccccc12 408758505 LFXSQHVJQFKHON-PXLXIMEGSA-N 428.488 4.193 50 40 IIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)o1 408763588 PVRDBJHNAJGWIX-SSDVNMTOSA-N 435.465 4.282 50 40 IIGB COc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c(OC)c1 1054788 DAZNFNIYNGJJSY-YDZHTSKRSA-N 427.298 4.312 50 40 IIGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2275319 ZMNZZJMPKFSFBR-ZMOGYAJESA-N 444.274 4.288 50 40 IIGB C[C@H](/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccccc1 9720535 WGMKEMPDNQNRNI-OCDXCEMISA-N 440.547 4.429 50 40 IIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2O)cc1 10059242 AUEVQFHMNABJGA-MYSNOUKZSA-N 435.318 4.206 50 40 IIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2C)c([N+](=O)[O-])c1 13546756 BFWPDSLXRQYQEM-GZTJUZNOSA-N 432.436 4.262 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1Cl 58912979 RSTBJHVHWJWXHM-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl 409189752 SIGWUTJESBQYQQ-LSFURLLWSA-N 429.687 4.353 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 409361765 HWWNCVYFCYZLIR-YSMPRRRNSA-N 436.895 4.383 50 40 IIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)o1 2783059 XLRGAOUUANFVMC-JLHYYAGUSA-N 433.376 4.107 50 40 IIGB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1cn(C)c2ccccc12 15092768 UZHDXVIJCPOOEB-UHFFFAOYSA-N 426.835 4.009 50 40 IIGB COc1ccc(OC)c(/C(C)=N\NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)c1 33523475 FWMYDOOQODKTAU-ZMFRSBBQSA-N 442.409 4.275 50 40 IIGB CCSc1oc(CC#N)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104479199 ATDKAIGWJFYJPJ-UHFFFAOYSA-N 429.505 4.472 50 40 IIGB COCCOCCOCCOCCCCCCCCCCC[Si](OC)(OC)OC 255186927 ACLUYYFGPPSVTE-UHFFFAOYSA-N 438.678 4.072 50 40 IIGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408939868 IPWCZIFZACGCHA-ROTLSHHCSA-N 445.431 4.001 50 40 IIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1)c1ccc(Br)cc1 408996608 JDTAHHQJOGFAPJ-YDZHTSKRSA-N 438.281 4.171 50 40 IIGB CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 714321 CSVXRNAJEQHCAR-KRWDZBQOSA-N 439.265 4.172 50 40 IIGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Br)cc1F)C(C#N)=C(N)O2 989272 NHUIRMBSOHMKFP-GOSISDBHSA-N 425.261 4.301 50 40 IIGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1790227 NOMBTALDTBFWEN-CIJMEZBMSA-N 430.888 4.468 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)sc2c1CC[C@@H](C)C2 2708542 ODCAXWGDNMMNMB-QQFZQELXSA-N 440.521 4.309 50 40 IIGB O=C(NC/C(=N/NC(=O)c1ccccc1Br)c1ccccc1)c1ccccc1 18191594 CKXDWNJYCZPIGI-QQTULTPQSA-N 436.309 4.013 50 40 IIGB O=C(COc1cccc2ccccc12)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 46085231 FCHPSMYFAGWEHW-WCTVFOPTSA-N 435.483 4.286 50 40 IIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914728 OKVDRXDIBJAMFV-KSEXSDGBSA-N 432.263 4.351 50 40 IIGB N#C/C(=C/c1ccc(I)o1)C(=O)Nc1cccc(Br)c1 408755512 VGWGYNJBRQYIFJ-TWGQIWQCSA-N 443.038 4.192 50 40 IIGB Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1C 408853377 ODSSLJGYCRBJML-ROTLSHHCSA-N 448.479 4.263 50 40 IIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)c(Br)c1 409124775 LOHZSIOTKKMQCJ-LBPRGKRZSA-N 446.326 4.061 50 40 IIGB O=C1c2ccccc2C(=O)c2c(NS(=O)(=O)c3ccc(CCCl)cc3)cccc21 15134590 QONCEAXOVCFNFA-UHFFFAOYSA-N 425.893 4.044 50 40 IIGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)c1 408678372 XRBPAZJDEUFOOE-WPWMEQJKSA-N 444.535 4.245 50 40 IIGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)ccc1C 408707177 HUAOTSOCEQYNJU-GIEPYWIESA-N 445.361 4.174 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc(Cl)c3)c2C)cc1 408741273 HWBVMOPZDPDGRY-DHRITJCHSA-N 439.899 4.063 50 40 IIGB CC(=O)Oc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C(C)=O 408758763 QRTSGAIXWKSXSG-DHDCSXOGSA-N 427.254 4.123 50 40 IIGB COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 409163141 MJXYLYPBGPSKNH-FSJBWODESA-N 438.311 4.270 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2C)cc(Br)c1O 726940 FGKJOJYTKDNXAX-FOKLQQMPSA-N 449.345 4.298 50 40 IIGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(Br)cc1 1056091 KGAQFLVGSAYXSW-AWQFTUOYSA-N 440.135 4.358 50 40 IIGB CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)c1 2309592 LQATZLXZOSIQKC-JOCHJYFZSA-N 447.516 4.283 50 40 IIGB Cc1cccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)c1 2390224 BRUSDQPLFZPMEQ-MNTXUITRSA-N 432.332 4.213 50 40 IIGB N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1nnc2n1CCCCC2 3177688 UKXDJTXBUAMCIU-AJZYWNCJSA-N 427.552 4.375 50 40 IIGB CSc1ccc([C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 8934498 SPQYXMBLNBTDDN-WOJBJXKFSA-N 447.564 4.069 50 40 IIGB CCOC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 13175723 VHQGUBSHQSBXCV-FQEVSTJZSA-N 439.562 4.379 50 40 IIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218286 SMKXYJLFYAPDAG-LQKURTRISA-N 448.482 4.068 50 40 IIGB N#CCCn1cc(C(=O)COC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c2ccccc21 252510785 BLQDKTXWKITDFB-UQIDSAAFSA-N 429.314 4.235 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)c(Br)cc1OC 408785014 WZVUFUZTVRULGT-GDNBJRDFSA-N 444.329 4.468 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 408816750 MDJCFNQWKGGKQU-STZFKDTASA-N 443.459 4.406 50 40 IIGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 409224928 NWWRXYYIAGUQRK-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 1085468 ZDLPZVKKMZAXSY-UGVMZYNRSA-N 446.257 4.411 50 40 IIGB COC(=O)c1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1 1801193 PTSBITYXMQZCRO-HUUCEWRRSA-N 441.119 4.311 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(SC)cc2)C(C#N)=C(N)O3)cc1OC 9308606 RXZAEDZTAKWEBA-LJQANCHMSA-N 434.521 4.424 50 40 IIGB N#C/C(=C/c1ccc(I)o1)C(=O)Nc1ccc(Br)cc1 408744789 MZCHIWCXPPUPEP-CLFYSBASSA-N 443.038 4.192 50 40 IIGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(-c4ccc(C#N)cc4)o3)oc12 409017629 NFZZDSZVRQECIT-WYMPLXKRSA-N 430.376 4.245 50 40 IIGB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 9144906 LDGWJPUYOQCRJV-SFHVURJKSA-N 428.883 4.442 50 40 IIGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1 10475980 PEVUJLIKSGJTTI-OGLMXYFKSA-N 443.503 4.237 50 40 IIGB CCN(CC)c1ccc(/C=N\NC(=O)COc2c(C)cc(Br)cc2C)c(O)c1 13601571 RUJOUTSAALRKOO-FMCGGJTJSA-N 448.361 4.147 50 40 IIGB CCCOCCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccccc1OC(F)F 19815913 QDGZMRRUPMAZGW-SFHVURJKSA-N 438.496 4.317 50 40 IIGB CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1 102433098 UZKJJFBLKFLBFL-GNVQSUKOSA-N 441.531 4.430 50 40 IIGB O=C(N/N=C/c1ccccc1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408731488 KZTSEKHMKVPKDR-VULFUBBASA-N 428.517 4.090 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 408878701 CVRZZDOWZSDJGK-NBVRZTHBSA-N 434.473 4.014 50 40 IIGB O=C(NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1 409223903 HJRJQMYAQIXORT-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccccc1C(F)(F)F 3369852 CBDSKJDXCMNUJJ-UHFFFAOYSA-N 428.410 4.136 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21 12402223 AZTMPAHETOIBGM-VWLOTQADSA-N 446.457 4.012 50 40 IIGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CSC(c1ccccc1)c1ccccc1 23566323 XXYXRZJBJFFIPB-KRWDZBQOSA-N 438.524 4.263 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)Nc1ccc(F)cc1 28215418 GJBMKNPQTWXLGM-DHRITJCHSA-N 425.847 4.261 50 40 IIGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3C2)c(OC)c1 2357137 JUZSYTAZCXFLOL-MRXNPFEDSA-N 425.485 4.062 50 40 IIGB Cc1ccc(NC(=S)NNC(=O)c2cc(Br)c(Br)s2)cc1 2793713 DNBWEHOCQHVCJJ-UHFFFAOYSA-N 449.193 4.213 50 40 IIGB C/C(CCc1ccccc1)=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 8453828 ARFLXFGMJZMZLM-HAHDFKILSA-N 427.961 4.353 50 40 IIGB CCOc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1cc(C)c(Cl)c(C)c1 12464452 KUXHMGZROMKNML-PCLIKHOPSA-N 431.920 4.255 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 16741507 KOJYPKWSLJEWLU-XKZIYDEJSA-N 438.487 4.078 50 40 IIGB COc1cc(OC)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 32194050 KKIUAEARGHPKGZ-LSFURLLWSA-N 431.208 4.249 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccccc1C 409006385 JBJZTOPLDXAQQF-ZHZULCJRSA-N 447.535 4.377 50 40 IIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccco1 409217940 FXKDGJLOVYHHGI-YVNNLAQVSA-N 448.218 4.478 50 40 IIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1I 9263136 PIFLXFSPPWGAAU-GXDHUFHOSA-N 448.260 4.244 50 40 IIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)c2C)cc1 58913026 YBJJIZLHCDVITC-AFUMVMLFSA-N 438.915 4.235 50 40 IIGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1N)oc1ccccc12 100745460 FGOUFJDONQDEFS-MZJWZYIUSA-N 430.464 4.311 50 40 IIGB biogenic CN(C)c1ccc(C(=O)NNC(=O)CCC(=O)NC2CCCCCCCCCCC2)cc1 199425898 DGLYXIWKUWSAJU-UHFFFAOYSA-N 444.620 4.083 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)cc1 408746416 YZDXEKXWJSBEFN-ZSOIEALJSA-N 449.290 4.490 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409366261 TVPOVRWSDQKCJR-JVWAILMASA-N 425.488 4.154 50 40 IIGB COc1cc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc(Br)c1O 1081690 PEMMCTPGWLSXPA-ZXCVBSDHSA-N 442.313 4.267 50 40 IIGB CC(C)(C)c1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3CCCCC3)c3ccccc32)cc1 2241999 AKBJDQXETAAMOL-FCQUAONHSA-N 440.547 4.421 50 40 IIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccccc2Cl)cc1 3102422 WJNPQHNKGOHOJO-ZMOGYAJESA-N 439.855 4.356 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)c1 33432605 XOEMPGKMIFJXOD-RWPZCVJISA-N 435.487 4.284 50 40 IIGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)c1 58918188 HFSCAITYBZAZSE-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 107807345 FXLZUGKHTKDWMS-QFEZKATASA-N 437.427 4.014 50 40 IIGB CCOc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1 408641926 DKNBCKCHKQBFSU-UZLBHIALSA-N 447.890 4.001 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(F)cc1 408843100 RHMCCDYLMRIQCY-VFCFBJKWSA-N 430.527 4.302 50 40 IIGB COc1ccccc1C(=O)N/N=C/c1cc(Br)c(C)c(Br)c1 409221750 AGCZHORBFSXHII-DJKKODMXSA-N 426.108 4.293 50 40 IIGB Cc1ccnc(Sc2oc(/C=C(\C#N)C(=O)Nc3cccnc3)cc2Br)n1 409276519 SDIDSDNDKMNGBV-KPKJPENVSA-N 442.298 4.232 50 40 IIGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)ccc1OC 409309489 ICKVZSSEZMXXLP-MYYYXRDXSA-N 449.463 4.345 50 40 IIGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NC1CCCC1 2428198 DNWJXHBEQOIVSZ-FYWRMAATSA-N 434.883 4.106 50 40 IIGB O=C(O)c1cccc2c1N[C@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445808 JGVHSWXYIOECCL-ZSFFEAAKSA-N 448.884 4.044 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1OC 33410042 GMPXNLCLXUHPEF-UVTDQMKNSA-N 448.260 4.244 50 40 IIGB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)c1 252508349 XKUAXHJTLFMVKH-QGOAFFKASA-N 430.416 4.065 50 40 IIGB Cc1cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)c(C)n1NC(=O)c1ccccc1 409213568 ULFUHZFOXCVIHA-ONUIUJJFSA-N 425.492 4.043 50 40 IIGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cncc(Br)c1 2219056 QRQCHAUTETXNEY-ZVBGSRNCSA-N 449.648 4.430 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1I 3147244 QHNBQXWTPDRXMK-CIAFOILYSA-N 430.245 4.217 50 40 IIGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cccc([N+](=O)[O-])c1 3168207 KVRSFGNWQQJZLM-SRZZPIQSSA-N 428.242 4.040 50 40 IIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(COc2cccc3cccnc23)cc1 3275239 JUVJHDOWZNVEBZ-CVKSISIWSA-N 426.432 4.486 50 40 IIGB Cc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 20240491 JVPLJBHPBFBCGW-TURZUDJPSA-N 426.564 4.077 50 40 IIGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 28215405 MDXBPXMCJMJGSH-CIRUFVMISA-N 435.911 4.360 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 107955811 NOLARBNXEPAWNH-YSMPRRRNSA-N 435.455 4.006 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccccc1 408927260 YWJBZLSUHXWMQE-LKUDQCMESA-N 435.549 4.039 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@@H]1c1cccs1 409134437 SRQGMPHTABXKLW-NSHDSACASA-N 437.468 4.477 50 40 IIGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccs1 409135573 RHFYVWQPGSJYST-CJLVFECKSA-N 427.551 4.036 50 40 IIGB O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 409216590 MQIQZKREJKLYFB-XYGWBWBKSA-N 428.448 4.392 50 40 IIGB CCn1c(SCC(=O)N/N=C(\C)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 9065131 UXIZDQNWMIRQJH-OEAKJJBVSA-N 443.960 4.260 50 40 IIGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)cc1OC 9308870 XMLSAILJBOGFBC-NRFANRHFSA-N 446.507 4.489 50 40 IIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 16606245 KTSVMZGRLSGIAZ-BBRHOVAOSA-N 430.140 4.194 50 40 IIGB CCOc1c(Cl)cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 21284106 KYQAMOGUWBXDEB-UHFFFAOYSA-N 433.770 4.431 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(OC)cc1 211688855 SFGSCFYUQRWURV-QQXSKIMKSA-N 448.475 4.086 50 40 IIGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1cccc(C(=O)O)c1 408543105 OXUZEUVAGXNFIK-JAIQZWGSSA-N 442.427 4.208 50 40 IIGB CCN(CC)c1cc(OC)c(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1Br 408978211 LHGAFWRCEOZOSI-CXUHLZMHSA-N 431.334 4.365 50 40 IIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)o1 409359465 OMXBUUMDALFIHE-WSDLNYQXSA-N 427.254 4.260 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 935178 AEXIEWQJCNIJRC-XUMLYMLNSA-N 432.332 4.166 50 40 IIGB COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COCC(F)(F)F 996594 GCFRRTILCGTGBQ-XLIONFOSSA-N 442.441 4.368 50 40 IIGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 12411795 MLGDMAILSSGIBX-SSDVNMTOSA-N 439.299 4.277 50 40 IIGB CCOC(=O)c1csc(N(NC(=O)Nc2ccc(C)cc2)C(=O)Nc2ccccc2)n1 16956820 OBRHRSPPMMKKSK-UHFFFAOYSA-N 439.497 4.403 50 40 IIGB CC(C)c1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 31783454 FKTPISDOWQMNHH-ZMFRSBBQSA-N 430.533 4.399 50 40 IIGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Cl)Nc1ccccc1F 107672655 MMRSQFMYJVRJIQ-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB COc1cccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1OC(C)C 408568626 KRIHXGQZFLJEBD-YDZHTSKRSA-N 446.594 4.490 50 40 IIGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 408789558 MJWCWNWNKIXZQY-QRVIBDJDSA-N 438.509 4.253 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccccc1 408790557 SJZFTUGSTOKAQX-MFOYZWKCSA-N 429.314 4.468 50 40 IIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1O 12556024 DLUJDYGFEPAPMN-MDWZMJQESA-N 444.241 4.173 50 40 IIGB COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 34736079 BOVNIIYSLJXENN-DJKKODMXSA-N 434.271 4.345 50 40 IIGB COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1O 103677241 NHMKTIRXBDHOBF-OYKKKHCWSA-N 439.309 4.446 50 40 IIGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccccc1 408606687 ADPLWGVVKHUMAW-WPWMEQJKSA-N 445.519 4.316 50 40 IIGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 409074202 YPVIWXHIGPWWAX-LGMDPLHJSA-N 426.314 4.140 50 40 IIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccccc1C#N 409254222 WGDBITHFCYYZGD-NTFVMDSBSA-N 431.467 4.368 50 40 IIGB CC(=O)OC[C@@](O)(C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 8382424 IWKJWDPJOZBJMZ-UBFNLWAXSA-N 445.600 4.395 50 40 IIGB biogenic,in-vitro Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 9634075 GXTNGNWTKVIZOB-CYBMUJFWSA-N 439.537 4.132 50 40 IIGB CCOc1cc(C(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc(OCC)c1OCC 12883652 AUSMEMQDSRMLFL-UHFFFAOYSA-N 445.903 4.092 50 40 IIGB COc1ccc(C(=O)N/N=C\c2ccc(OC)c(COc3ccc(F)cc3F)c2)cc1 55080849 HEYINHZTAHDJON-ZMFRSBBQSA-N 426.419 4.325 50 40 IIGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Br)cc2)N2C(=N1)SC(C#N)=C2N 408602228 BCMVZOZPARKZFV-MRXNPFEDSA-N 447.358 4.177 50 40 IIGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)cc2OC)c1 408984633 ISHLGBYNQNHZPY-YBFXNURJSA-N 447.491 4.352 50 40 IIGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1OC 409312845 MVIDGIHHRRIMJU-WGARJPEWSA-N 438.455 4.194 50 40 IIGB COc1cccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)c1OC 803806 VKJNMLGSWFFKJC-IBGZPJMESA-N 434.521 4.246 50 40 IIGB CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@H](C)C2 1768814 PNLIZBUQIBPKQU-WQEJZQBCSA-N 428.558 4.271 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1cccc(Cl)c1 2080889 VXVDNZGYKHIGPZ-UMYHVIPVSA-N 435.705 4.032 50 40 IIGB O=C(N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1Br 20760542 MKLFNBQUMYTCBM-SRZZPIQSSA-N 444.241 4.293 50 40 IIGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)sc(C)c1C 33339727 UDDHVZHRHPAUNQ-SXGWCWSVSA-N 428.510 4.493 50 40 IIGB C[C@@]1(CBr)CSc2n(-c3ccccc3)c(=O)c3c4c(sc3[n+]21)CCCC4 54362763 ZPFQMPJROCLTCM-HXUWFJFHSA-N 448.431 4.434 50 40 IIGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408745585 SYQKXIILQFLDGZ-YBEGLDIGSA-N 425.282 4.324 50 40 IIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)c1 408832394 WQQQBSYIHBUQFH-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc1OC 3174521 BDSKGPIYHJPJEF-FSJBWODESA-N 443.297 4.149 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccccc1 19948254 JSZOOYPUKXTIDS-LKUDQCMESA-N 435.549 4.039 50 40 IIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)c([N+](=O)[O-])c1 20760223 PGOWCCGYAWIHIM-SRZZPIQSSA-N 444.241 4.390 50 40 IIGB COc1cc(/C=N\NC(=O)CCn2c3ccccc3c3ccccc32)cc(OC)c1OC 33334767 HRFJQIOKKUYKAI-QQXSKIMKSA-N 431.492 4.361 50 40 IIGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 223152749 POCATTOTGPJELT-ZMFRSBBQSA-N 445.397 4.453 50 40 IIGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 408814334 GVTRWHBGAFDVFI-SDKQKANHSA-N 431.330 4.072 50 40 IIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc(Br)c(N2CCCC2)o1 408843615 AHSXNVYSILSPOK-KSEXSDGBSA-N 444.251 4.354 50 40 IIGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)cc1 2449850 PVOHZUNFPLEPOE-CAPFRKAQSA-N 442.519 4.277 50 40 IIGB CCn1c(SCC(=O)N/N=C(/C)c2cccc(Br)c2)nc2ccccc21 9019466 RVOWEGNCSSHQJO-XKZIYDEJSA-N 431.359 4.451 50 40 IIGB CCCCCCOc1ccc(OCCOc2ccc(/C=N/NC(N)=O)cc2OC)cc1 9434472 AFPZQAHEYVEEDX-KOEQRZSOSA-N 429.517 4.114 50 40 IIGB COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)c1OC 12275590 FLYKGYJQPXPRML-ZHRRBRCNSA-N 442.924 4.000 50 40 IIGB O=C(CCl)N[C@H](NC(=S)Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 26962969 YAGGNPISHVXEFT-CYBMUJFWSA-N 425.168 4.178 50 40 IIGB O=C(NNC(=O)c1ccc(F)cc1Br)c1ccc2c(c1)Cc1ccccc1-2 95954038 PSSJTCJWVWKLGM-UHFFFAOYSA-N 425.257 4.234 50 40 IIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CC2(C)SCCS2)c1C 408586021 ALDGLWFOCODGKI-OEAKJJBVSA-N 445.610 4.307 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Br)c1OC 408875097 CWUGEUGWYPHNOB-SSDVNMTOSA-N 429.270 4.089 50 40 IIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OCC 408972606 PPSPLUZQBKSLAJ-ZMOGYAJESA-N 426.856 4.269 50 40 IIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 716816 XEAFOLREVOHVFB-BHGWPJFGSA-N 433.342 4.403 50 40 IIGB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccnc2)cc1 4647253 QCDJLNXDAHMJRH-CPNJWEJPSA-N 432.505 4.045 50 40 IIGB O=C(N/N=C/c1ccccc1Cl)C1CCN(Cc2ccc(Br)cc2)CC1 8780812 MNFHNHGQNIFHHI-YDZHTSKRSA-N 434.765 4.465 50 40 IIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)c1cccc(Br)c1 8861161 YXKLDRBUUCPVKH-YDZHTSKRSA-N 439.265 4.138 50 40 IIGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc21 208466729 YMCNGKPUGUKIQU-MSXFZWOLSA-N 442.903 4.409 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(Cl)cc2)cc1 408779598 GFPQBZADBQFRGN-UHFFFAOYSA-N 433.961 4.280 50 40 IIGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1cc2ccccc2o1 408854760 AURIAGPDLOPJAZ-UWVJOHFNSA-N 438.075 4.427 50 40 IIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)c1ccccc1 408979545 MRRPASWVBUGIJF-OINMWHHXSA-N 432.524 4.422 50 40 IIGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 409224526 MGJWCGHEQACUNP-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(OC)c2)cc1 409224833 MJEVNBDPFHDACP-QFEZKATASA-N 438.867 4.340 50 40 IIGB O=C(NNC(=S)Nc1cc(Cl)ccc1Cl)c1cc(Br)cs1 2791051 JKTSVOMXPSHQTN-UHFFFAOYSA-N 425.160 4.449 50 40 IIGB Cc1nn(Cc2ccc(C(=O)NNC(=S)N[C@@H](C)c3ccccc3)cc2)c(C)c1Cl 2795711 MNFLPCZVZXTZTA-AWEZNQCLSA-N 441.988 4.072 50 40 IIGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)c1 13769904 QATVMXYQKVOUFA-XMHGGMMESA-N 442.519 4.378 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 34702271 IEIGUDQVNNPMPM-AQTBWJFISA-N 445.450 4.397 50 40 IIGB O=C1[C@H]2[C@H](C(=O)N1c1cccc3ccccc13)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 102646343 BQNREEHJXWJQDJ-HRTQJFGHSA-N 449.142 4.122 50 40 IIGB CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c1 408875614 GKFRWNGICMZUBT-OVCLIPMQSA-N 429.270 4.180 50 40 IIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 408907010 KYRXRFVWVNDNIH-UBCTUXONSA-N 445.519 4.073 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2ccccc2C)ccc1OCc1ccc(C(=O)O)cc1 408963913 AQOLWAKWRSBGRD-QFEZKATASA-N 433.464 4.436 50 40 IIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)COc2cccc3cccnc23)o1 409022503 DSLMPFQWLHZEBS-MXAYSNPKSA-N 430.420 4.241 50 40 IIGB Cc1ccc(Cn2cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c3ccccc32)cc1 409226450 SSDKKJGPKCLORB-XODNFHPESA-N 440.503 4.289 50 40 IIGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 409245643 WXNMQMDCYGRQAR-VFCFBJKWSA-N 443.547 4.072 50 40 IIGB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCCCCBr)cc1)C(=O)O 1542984421 FKGBJKBBTRGJQD-INIZCTEOSA-N 430.339 4.151 50 40 IIGB COc1ccc(CCNC(=O)C(=O)NN=C2CCCCCCCCCCC2)cc1OC 5514331 ZDYIPFMMWMIHPO-UHFFFAOYSA-N 431.577 4.139 50 40 IIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 20763875 XJORFZFLFDISBP-MFKUBSTISA-N 449.463 4.345 50 40 IIGB CCN(CC)c1nc(N)nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1 98008119 OSMCEQMEQIXWAF-UHFFFAOYSA-N 442.507 4.109 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408787791 GGXGVPAATLOMCN-RIYZIHGNSA-N 449.290 4.490 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC#N 408793208 DKEJZDYRWWMNBO-XNTDXEJSSA-N 426.270 4.296 50 40 IIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(F)c1 409117306 MWBZCXTWDVHJGQ-CVKSISIWSA-N 449.507 4.048 50 40 IIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1 24037595 DBZSVXPRQKLCOK-OGLMXYFKSA-N 426.476 4.103 50 40 IIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)ccc1O 30840638 VWRZBICGXJOHKO-QRVIBDJDSA-N 425.282 4.351 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(C)c(C)c2)cc1 408782422 GWMXLIPJURZYCW-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1c(O)ccc2ccccc12 3112440 RXARHABMXQNMPT-YDZHTSKRSA-N 440.297 4.177 50 40 IIGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cccc2ccccc12 4156951 XIYJDDUHBFUXPS-ZQDZILKHSA-N 437.131 4.266 50 40 IIGB N#Cc1ccccc1Cn1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 33628700 USVBBNALFFFSBM-DICXZTSXSA-N 437.459 4.162 50 40 IIGB COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 58914391 OQVMBCAUUBHJJS-ROTLSHHCSA-N 446.290 4.029 50 40 IIGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C 408706520 ASHQBYLSWRLHOR-CVKSISIWSA-N 444.491 4.088 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 408780953 OIPWUQZLNIRDLX-SXGWCWSVSA-N 444.285 4.368 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC#N 408808443 IUZGPMDVLZAEOJ-NGWPFTMJSA-N 440.297 4.144 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c([N+](=O)[O-])c1 408888207 TXFJOUAJZPGZLL-XNTDXEJSSA-N 433.376 4.107 50 40 IIGB COc1cccc2cc(C(=O)N/N=C/c3cc(Br)c(Br)o3)oc12 408954707 UPQYNSIVCRBYCK-CNHKJKLMSA-N 442.063 4.323 50 40 IIGB CCCCOc1cc(Br)c(/C=N/NC(=O)Cc2cccs2)cc1OC 409197418 FAXWAIDXHWTVFD-UDWIEESQSA-N 425.348 4.391 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409372817 NSKCYHSWNAEUSC-KGENOOAVSA-N 447.535 4.249 50 40 IIGB C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(Br)c1 710915 NQLAPRKUBPUITI-VSMYLPJWSA-N 426.108 4.129 50 40 IIGB CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1 985837 DMKNFSFDEDPKAZ-OAQYLSRUSA-N 427.508 4.452 50 40 IIGB C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(F)cc2)c2ccccc21)c1ccccc1 2430488 CLARNXHXVRUXRL-KJXVGZKYSA-N 438.462 4.128 50 40 IIGB CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4)CSC3=C2C#N)ccc1O 2441295 HVMFIVPIZZISOJ-GOSISDBHSA-N 437.521 4.019 50 40 IIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccccc1 3117078 CBFLOMJXRWTELN-CVKSISIWSA-N 432.476 4.060 50 40 IIGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 3291174 FZECIFONRCNNFY-UHFFFAOYSA-N 440.286 4.372 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3303589 GGHGMCSLZSKNNT-CJLVFECKSA-N 426.472 4.051 50 40 IIGB CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)N/N=C/c3cc(Br)ccc3O)c2C1 9375273 KJPZEPANAKZIFM-YSRRJJCPSA-N 433.350 4.183 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(C)c3)nc3ccccc3c2=O)cc1 32577067 YAGSTILUVQDTOL-YSMPRRRNSA-N 442.544 4.245 50 40 IIGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\CCC[C@H](C)C3)cc2)cc1 33642187 YYUGTTMEKSEJEE-QAYQYMSWSA-N 427.570 4.112 50 40 IIGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 104713407 IAPLEKIOOAIWBQ-LGMDPLHJSA-N 448.939 4.486 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Br)o1 408567304 CVYWNOIWXKNXMX-GIJQJNRQSA-N 427.345 4.050 50 40 IIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 408793609 FPSQNVXSPXLHEF-CXUHLZMHSA-N 443.297 4.163 50 40 IIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408796902 ZNJDHOMNZYJQRR-NTUHNPAUSA-N 449.688 4.200 50 40 IIGB CCCCOc1ccc([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20130164 XMWWRSMUDVJIOE-ZJSXRUAMSA-N 445.567 4.008 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Br)c2)cc1OC 20248724 YSEUNGURJQYYBL-FYJGNVAPSA-N 437.359 4.240 50 40 IIGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1O 108177873 DVZNGOJXUOBPHF-MLPAPPSSSA-N 436.205 4.368 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O[C@@H](C)C(=O)O 409009724 BOQRAJLQOGJEPZ-HKMIMPICSA-N 435.263 4.400 50 40 IIGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCCc3cccs3)cc2)n1 14229551 HUHALXIVCWTTOM-UHFFFAOYSA-N 440.594 4.231 50 40 IIGB Cc1ccc(/C=C/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)o1 14921106 CHJNHBLRALBLOP-RCEUYKJTSA-N 442.519 4.240 50 40 IIGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1 59498730 DZRGVYVFGXSKHB-ZVHZXABRSA-N 431.521 4.276 50 40 IIGB CC(C)NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 98046356 JEAXZBDSWRBFJL-AQUOVQTQSA-N 446.021 4.197 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1 408765566 YRXDYGNLLSDYRV-FMCGGJTJSA-N 426.860 4.185 50 40 IIGB Cc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409112857 MADVHNKJLMITBL-PCLIKHOPSA-N 435.549 4.034 50 40 IIGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 409188301 GADYKHJNBAYQNU-FOKLQQMPSA-N 439.295 4.098 50 40 IIGB COc1cc(/C=N/NC(=O)CCl)cc(Br)c1OCc1ccc(Cl)cc1 28217939 LYWDZXQVPVQTLH-ZVBGSRNCSA-N 446.128 4.379 50 40 IIGB Cc1ccc(OCCn2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c3ccccc32)cc1 33880114 DJQGMAIXEXLLSW-HSZRJFAPSA-N 425.492 4.278 50 40 IIGB O=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)n1)c1cccc(C(F)(F)F)c1 59530790 JLVIDKAHERFIIY-UHFFFAOYSA-N 445.241 4.213 50 40 IIGB C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 96822621 FDKWIGSZMKIJKE-MYYYXRDXSA-N 447.447 4.244 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCC(=O)O 408793692 GDTWJWGFWMQWDZ-LZYBPNLTSA-N 428.872 4.365 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1 408807337 HEVRQHWTOFZIQY-QGOAFFKASA-N 445.450 4.397 50 40 IIGB COc1cc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)ccc1OCc1ccccc1 8968923 PHDBHRAPCYNZTP-WGOQTCKBSA-N 426.476 4.428 50 40 IIGB CC(C)c1nc(SCC(=O)NNC(=O)c2ccco2)c2c3c(sc2n1)C[C@@H](C)CC3 13065307 MXTMHWZCDKQDNB-LBPRGKRZSA-N 444.582 4.086 50 40 IIGB COc1ccc(OC)c(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1 13942742 YLYSHRRCZDNTMS-YDZHTSKRSA-N 427.298 4.312 50 40 IIGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2Br)cc1OC 20248482 WZXTVKMCBVBFHY-FYJGNVAPSA-N 437.359 4.240 50 40 IIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I 408814992 SSLMKQDCJPPVBY-LCYFTJDESA-N 436.224 4.375 50 40 IIGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1 408877018 SDKGXRFFDOEXCJ-NTUHNPAUSA-N 436.224 4.375 50 40 IIGB CCN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)c2cc(Br)ccc21 409189352 JVWHLDAJPRGEQI-RCCKNPSSSA-N 441.112 4.257 50 40 IIGB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 409220800 FYWUMPJSDQRPNU-UNOMPAQXSA-N 448.910 4.428 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1 825352 QQXFCZBUWBQVGE-YVYJZWDNSA-N 427.460 4.028 50 40 IIGB N#C/C(=C\c1cc(Br)c(I)o1)C(=O)NC1CCCCC1 1106498 OFHWOLKCKKZFSE-RMKNXTFCSA-N 449.086 4.003 50 40 IIGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccc5ccccc45)c(=O)c23)C1 6166480 XZPKAZQRSNNOOQ-AZRODNFASA-N 444.560 4.447 50 40 IIGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(OCC)cc2nc1Cl 6631280 DARLVHHTKVVSJC-LJQANCHMSA-N 425.872 4.098 50 40 IIGB Cn1c(CC(=O)N/N=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)nc2ccccc21 9128277 OCVWALALOALTKN-AFUMVMLFSA-N 447.426 4.106 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OC(=O)c1cccs1 12466997 HTCAXXQBPIGWLK-FSJBWODESA-N 444.896 4.489 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC 59333323 RPQVTAOFFJPQRK-NKFKGCMQSA-N 445.563 4.468 50 40 IIGB C[C@@]1(CC(=O)Nc2ccccc2)C=C(CC(=O)Nc2ccccc2)C(C#N)=C(N)[C@]1(C)C#N 226762798 NBNYXCXQUYAOLD-UIOOFZCWSA-N 439.519 4.257 50 40 IIGB Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2[N+](=O)[O-])n1 409146686 VBVMRNWHCFORIR-YBFXNURJSA-N 445.504 4.376 50 40 IIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccccc2Cl)cc1 409363544 MHCGICFAXUVGLB-YSMPRRRNSA-N 436.895 4.383 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 6600386 FYICKUBYNMPQDS-UNOMPAQXSA-N 447.922 4.498 50 40 IIGB COc1c(Br)cc(C(=O)N/N=C/C=C/c2ccco2)cc1Br 8842960 WCXRIHMAGHXAKC-RZVCBAEVSA-N 428.080 4.242 50 40 IIGB CCc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(C)cc2Br)cc1 12413365 XGPHNZGUOQNJHI-BUVRLJJBSA-N 446.345 4.220 50 40 IIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Br)ccc1O 14920703 ATHZXXDWESZYAD-KEBDBYFISA-N 430.214 4.087 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc(F)c1 59334316 UCCTWRRDBNPIFP-CHHVJCJISA-N 433.277 4.171 50 40 IIGB C#CCOc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)cc1OC 408807107 CBJZPQHXKYYPKO-ONRVGMAUSA-N 431.330 4.072 50 40 IIGB Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 409042260 LYDUFIQGEXYMJP-XMHGGMMESA-N 427.460 4.264 50 40 IIGB Cc1ccc(CN2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3ccccc32)cc1 663558 DRJNORTVCFVJAY-MHZLTWQESA-N 439.515 4.147 50 40 IIGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nnc2-c2ccncc2)cc1 1479370 BDLKRJOZRVTRKU-VULFUBBASA-N 446.511 4.019 50 40 IIGB CCOc1cc(C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc(OCC)c1OCC 3212996 WBKIOTJBXICEIR-IYYXFVMZSA-N 427.457 4.220 50 40 IIGB CCn1c(SCC(=O)N/N=C\c2c(F)cccc2Cl)nnc1-c1ccc(C)cc1 9762908 NQXXHEDIAPRVLP-KSEXSDGBSA-N 431.924 4.308 50 40 IIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(OCC)cc3)c2C)c1 10315727 HBHXBTNTPUMNSH-WPWMEQJKSA-N 447.535 4.362 50 40 IIGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1c2ccccc2cc2ccccc12 19826183 ACNWGXOTSPYQLU-CEUNXORHSA-N 436.559 4.261 50 40 IIGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2ccccc2)cc1OC 28217636 AXGZYNZYCWRWOD-WSDLNYQXSA-N 449.370 4.406 50 40 IIGB CCCC1=NC(=S)[C@@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1 59528070 BAHWWENRYQFEMF-QHCPKHFHSA-O 431.521 4.005 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1 883514 LMPRYLWSDFCIBS-CPNJWEJPSA-N 438.487 4.405 50 40 IIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 8452376 HPEAGSJWTGYRCU-OVVQPSECSA-N 445.519 4.186 50 40 IIGB C=CCN(c1ccc(C(=O)N/N=C/c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 19937018 OYITVWMENTYVKO-XIEYBQDHSA-N 433.533 4.140 50 40 IIGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(F)cc1 408611101 PZNRQRALMFEASQ-MZJWZYIUSA-N 449.482 4.119 50 40 IIGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 408882940 PQIMBHJOZVFPNB-WUXMJOGZSA-N 438.652 4.499 50 40 IIGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1 409309472 HWQMDZFNOHMHEQ-FQEVSTJZSA-N 449.601 4.065 50 40 IIGB CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1452848 ZMKJKZNMXOCFNE-QFIPXVFZSA-N 430.508 4.450 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccccc1OC 2410762 KEHRHODACOWNRG-WGOQTCKBSA-N 432.476 4.385 50 40 IIGB O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc(Br)cc1 3319430 VNDKJCQCWXMYHC-GZIVZEMBSA-N 435.171 4.416 50 40 IIGB CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCCCOc1cccc(OC)c1 9730974 YRCKEAFDJALTID-OEAKJJBVSA-N 436.892 4.285 50 40 IIGB O=C(NN[C@H]1[C@H]2CCCCC2=NN1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16401016 SRMILFYQFOMNHD-PKOBYXMFSA-N 431.323 4.256 50 40 IIGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(N2CCCC2)cc1 408676970 OCGBVHPHSIEGRA-MFKUBSTISA-N 431.452 4.146 50 40 IIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC 408824245 HNSPHRJAZKMXTO-OQLLNIDSSA-N 428.872 4.476 50 40 IIGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(F)c1 863808 XISRFSVWHUYFGW-MFKUBSTISA-N 431.496 4.316 50 40 IIGB CC(C)(C)OC(=O)N[C@H](CSCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 1640073 DEQZTANESNRFKU-GOSISDBHSA-N 432.498 4.327 50 40 IIGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3193625 WCAWQIWJPFFYGV-FSJBWODESA-N 435.827 4.458 50 40 IIGB COc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1ccc(Cl)cc1 4196325 GHVJIIAGPXBQES-LSHDLFTRSA-N 436.693 4.054 50 40 IIGB COc1ccc(/C=N/NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 12951822 AFJYDUKUWVQRMW-KBKYJPHKSA-N 440.853 4.129 50 40 IIGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2ccccc2)cc1 13982136 LCKXXDAXWXDRKO-YDZHTSKRSA-N 438.281 4.171 50 40 IIGB Cc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1Cl 101052765 JRLXFAQTVNDNFX-IWDIQUIJSA-N 435.543 4.075 50 40 IIGB N#C/C(=C/c1cccn1-c1cccc(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 408545564 ZWRHTSSQXDIRSY-PTNGSMBKSA-N 436.265 4.484 50 40 IIGB CCOc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccccc3)CC2=O)cc1 408609997 SSBGBVZRMQRJFN-HXUWFJFHSA-N 445.519 4.161 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(C)c(Cl)c2)cc1 408775135 OHOHRBWGSVCGFC-UHFFFAOYSA-N 433.961 4.198 50 40 IIGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Cl)c1OC(C)C 9261994 OZHULRHRAMUGBB-BRJLIKDPSA-N 427.888 4.213 50 40 IIGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc(Br)cc1 13573639 JIRZTRMNDAXOSR-ZMOGYAJESA-N 432.362 4.030 50 40 IIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3O)n2-c2ccccc2)cc1 19800769 ABEJKJXLCUQYAB-MYYYXRDXSA-N 443.532 4.191 50 40 IIGB O=C(N/N=C/C=C\c1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 36235049 NPOZLHRIYRCGRL-YHJAJCIWSA-N 439.471 4.002 50 40 IIGB Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 408786658 LRLXMKIOCYOTBS-FMCGGJTJSA-N 426.860 4.185 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409008552 XSHNVSSWTLDORP-CVKSISIWSA-N 431.492 4.093 50 40 IIGB C=CCn1c(C)c(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc21 409355886 FGFGAWHEXQZROC-ZMOGYAJESA-N 425.330 4.460 50 40 IIGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(OCC)cc2nc1Cl 6631282 DARLVHHTKVVSJC-IBGZPJMESA-N 425.872 4.098 50 40 IIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12 9015770 WNPLXWAYIBFJQX-DEDYPNTBSA-N 444.535 4.051 50 40 IIGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)c([N+](=O)[O-])c1 408876588 QHBVKPTXCDQRLJ-FBHDLOMBSA-N 444.241 4.395 50 40 IIGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc2c(c1)OCO2 408904973 RITADRYEMAVHDO-MYKKPKGFSA-N 446.419 4.241 50 40 IIGB Cc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)NCc2ccccc2)c1 409255895 LRRGXYOZXSRGMZ-HYARGMPZSA-N 425.488 4.236 50 40 IIGB C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C(\C)c1ccccc1 654719 LDEMFWYPMJNIAJ-XIEYBQDHSA-N 434.569 4.017 50 40 IIGB O=C(O)c1ccc([N+](=O)[O-])c2c1NC[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445812 FGRUSOUYEDNLRK-RAGLCQRRSA-N 449.872 4.499 50 40 IIGB O=C(Cc1ccc2ccccc2c1)N/N=C1\C(O)=Nc2c(Br)cc(F)cc21 84605826 OYISOELGTNOXOJ-UHFFFAOYSA-N 426.245 4.406 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc2c(c1)OCO2 408771131 FNVMMPNRXRXXSI-IDUWFGFVSA-N 442.899 4.478 50 40 IIGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408891788 VJTMMQCROHMMAC-NTUHNPAUSA-N 446.257 4.229 50 40 IIGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)ccc1OCc1ccccc1 408971441 OLSAMLYQIFBNTN-JVWAILMASA-N 445.519 4.486 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1 409075991 ZZTNFRVCXKHTCA-KNTRCKAVSA-N 448.500 4.399 50 40 IIGB O=C(CNC1CCCCC1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 409378090 NGIAMWFVFCXSTA-AFUMVMLFSA-N 444.373 4.401 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2200174 CZAMPJIQPAAMQM-FQEVSTJZSA-N 448.320 4.186 50 40 IIGB CCOC(=O)c1ccc(-c2ccc([C@@H]3NC(=O)C(C#N)=C(S)N3c3ccccc3)o2)cc1 6144791 STEBKWLIWDYFKM-OAQYLSRUSA-N 445.500 4.423 50 40 IIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8721542 OSJTXFPHZOJOCX-CIAFOILYSA-N 428.242 4.310 50 40 IIGB N#C/C(=C\c1ccccc1C(F)(F)F)c1nnc(N2CCOCC2)n1-c1ccccc1 9090873 PNBHDOLXVFXNJC-SAPNQHFASA-N 425.414 4.187 50 40 IIGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Br)C(N)=O 408888595 XQAASLDVMBNKDI-NTUHNPAUSA-N 436.103 4.183 50 40 IIGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1 409134775 PUXPHXQVISAYMF-HSZRJFAPSA-N 433.483 4.143 50 40 IIGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Br)cc1 1054380 DSTGSSXXYVMAIO-VXLYETTFSA-N 426.108 4.374 50 40 IIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)o2)sc2c1CCCC2 1453398 LIXNYUTVQGGYQH-CSKARUKUSA-N 435.299 4.315 50 40 IIGB Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)cc1Cl 12462309 CPYAHXDKWJZHQG-DEOSSOPVSA-N 430.895 4.060 50 40 IIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 16741512 OKMGZFWNNWSYSG-JAIQZWGSSA-N 426.451 4.209 50 40 IIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)ccc1OCc1ccc(C)cc1 18116241 PSQBTBNULPOYRT-QHCPKHFHSA-N 443.503 4.188 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 408590234 OHKCNOBBEHTAIL-IYHCKTHZSA-N 426.314 4.040 50 40 IIGB CC(=O)Oc1cc(OC(C)=O)c([N+](=O)[O-])cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O 408743311 SBDWCHCEYQVRMK-VIZOYTHASA-N 443.795 4.080 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC#N 408744385 KXHDXQGRWJIWMN-DHDCSXOGSA-N 426.270 4.214 50 40 IIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 408746164 XSWDJBAUWJHVQA-YBEGLDIGSA-N 443.297 4.245 50 40 IIGB CN(C)c1oc(/C=N\NC(=O)Nc2ccc(Br)cc2)cc1Br 408853668 WGUSKBYYNQRYNL-IUXPMGMMSA-N 430.100 4.026 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)c2C)cc1Cl 408974597 ZZTDPECRPCMONB-OXVLKEGXSA-N 436.943 4.383 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1ccccc1F 409093066 XCJDHATUSBAWBF-JFLMPSFJSA-N 431.423 4.079 50 40 IIGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cc2cc(CC)ccc2nc1Cl 872614 MHRMBNTYELUPJD-KRWDZBQOSA-N 432.307 4.314 50 40 IIGB CCn1c(SCC(=O)N/N=C(\C)c2ccncc2)nnc1-c1ccc(C(C)(C)C)cc1 1258886 XDECUAVZJKRSAC-PCLIKHOPSA-N 436.585 4.290 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)sc2c1CCCC2 3304039 AGZWYZIXALHRTE-GXDHUFHOSA-N 426.494 4.063 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1OC 9289523 FPCCYXNLGIFHNQ-FSJBWODESA-N 443.843 4.218 50 40 IIGB CCC1=C[C@@](C)(CC)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(C)cc1c32 9427096 UWNYCZRRQHTINH-FTJBHMTQSA-N 429.520 4.286 50 40 IIGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 28215408 MDXBPXMCJMJGSH-AEIQVQRHSA-N 435.911 4.360 50 40 IIGB CCOC(=O)/C(CC(=O)c1ccc(OC)cc1)=N/NC(=O)c1ccc(-c2ccccc2)cc1 59489095 WEWWRIIBZVJXHJ-SLEBQGDGSA-N 444.487 4.284 50 40 IIGB CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 195530295 UUPGMLSMMQJYPY-KVRDQPLZSA-N 425.573 4.295 50 40 IIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1 831189 VZRHICSMVWPKFS-ZZQPOVDQSA-N 428.554 4.179 50 40 IIGB Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 943541 NHRBPPYTKAKUEF-QQZXWGPFSA-N 440.681 4.237 50 40 IIGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2sccc2C)nc2ccccc2c1=O 1477797 HXEWNHZVWFLLIM-ZMOGYAJESA-N 448.573 4.306 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)cc1 1887668 VFSLUMSDKYFOCG-RWZYYMRUSA-N 446.359 4.474 50 40 IIGB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1 102644512 WJRHWCHMFPPOLG-JWLCQNFESA-N 442.309 4.297 50 40 IIGB CCN1C(=O)/C(=N/NC(=O)c2ccccc2OCc2ccccc2Cl)c2ccccc21 102977050 DTWPHOHZDLBLJF-XTCLZLMSSA-N 433.895 4.420 50 40 IIGB COc1cc(OC)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br 107785820 GKYBBWUPHBTMPD-FSJBWODESA-N 443.297 4.392 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)cc1 409204064 ADJUBKZWJHGVAW-PVPASAESSA-N 428.492 4.028 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1C 27093343 JAZPJGHCWBEVHM-KNGGAZFVSA-N 444.539 4.457 50 40 IIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1 33752531 FLLSLPPRGQDDIK-YDZHTSKRSA-N 426.314 4.441 50 40 IIGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 100179813 KTSVMZGRLSGIAZ-VLMAEYHCSA-N 430.140 4.194 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)c(C#N)c1C 408546735 OHDLUYGRJMVPFR-LFIBNONCSA-N 437.521 4.407 50 40 IIGB O=C(NCc1ccc(F)cc1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408706490 ABIPFNSFEZMFSX-UVHMKAGCSA-N 442.853 4.128 50 40 IIGB COc1cc(/C=N/NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)ccc1OCC(C)C 8826071 BMNXKRDZUMQXRY-KBKYJPHKSA-N 448.445 4.249 50 40 IIGB COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33349243 MIKURTOAPRCZGW-YSMPRRRNSA-N 446.507 4.485 50 40 IIGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 58980223 VDIVVWFEPSSBKQ-AFUMVMLFSA-N 434.883 4.315 50 40 IIGB CSc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 59436965 MWYPDGRNKMJRBX-ZXVVBBHZSA-N 444.604 4.495 50 40 IIGB CC(C)NC(=O)[C@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100868589 JEAXZBDSWRBFJL-HJIKLVIJSA-N 446.021 4.197 50 40 IIGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)CC2)c1 409004113 APHXDDMIOLRQNF-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409008103 TXDHPTGWUXBFDB-CVKSISIWSA-N 431.492 4.093 50 40 IIGB Cc1nn(Cc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)c(C)c1Br 993895 WPBNBWYMFCMCNA-FOKLQQMPSA-N 429.293 4.214 50 40 IIGB COC(=O)c1cccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c1 1801199 DISYKLXEJVHMJI-CABCVRRESA-N 441.119 4.311 50 40 IIGB CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)c3ccco3)=C2N2CCOCC2)cc1 3191122 KDFXJJGUEMCYJU-FYLJGWAWSA-N 448.567 4.305 50 40 IIGB N#CC1=C(SCC(=O)Nc2cccc(Br)c2)NC(=O)C[C@H]1c1cccs1 9110403 UJTYKNNZLWKKAB-CYBMUJFWSA-N 448.367 4.221 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1cc(C)cc(C)c1 9969777 CKJHBUZHHJCWPZ-WPWMEQJKSA-N 433.508 4.319 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408785848 INMPJDCXBSNSGH-LKUDQCMESA-N 435.549 4.039 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(OC)c2)cc1 408867547 LLUQSESMZAWIKM-OVCLIPMQSA-N 432.261 4.408 50 40 IIGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cn1 1054194 CIVNNVMXTBJCMA-WYMPLXKRSA-N 438.281 4.136 50 40 IIGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)cc1 1056975 CHJLHPNCAWYGSV-HSZRJFAPSA-N 443.503 4.365 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccccc1 1434379 JGQJQSOKUJMGSH-JVWAILMASA-N 431.492 4.175 50 40 IIGB CCOC(=O)[C@H]1S/C(=C(/C#N)c2ccccn2)N[C@@]1(c1ccc(C)cc1)C(F)(F)F 12543536 VAWJEEKEVPFSRV-YFSOVGJPSA-N 433.455 4.308 50 40 IIGB C/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc2c(c1)Nc1ccccc1S2 12563269 PVZKIYSCJWKUJL-MFKUBSTISA-N 441.520 4.089 50 40 IIGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1C 16700527 KJPMYVDEUHNMFF-QFXXMJIKSA-N 442.519 4.059 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1 58913049 JKSZGXFEQXLOGI-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB COc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 59154826 SKYFSKLDJKPOCD-LPYMAVHISA-N 436.380 4.068 50 40 IIGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C 408992723 BGNBDWSYHUDEFY-BRJLIKDPSA-N 439.899 4.283 50 40 IIGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I 409193282 IHBDEBUDSXNFQZ-VXLYETTFSA-N 428.657 4.107 50 40 IIGB COC(=O)c1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1 1801195 PTSBITYXMQZCRO-CABCVRRESA-N 441.119 4.311 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1c(C)cccc1C 9057151 JTSCIGFJKCCDMP-WPWMEQJKSA-N 433.508 4.319 50 40 IIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)C3CCN(C(C)C)CC3)c2C)cc1 12798879 CMVSTRXMAKLMBC-CJLVFECKSA-N 434.584 4.341 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(C)=O 16157795 VWXIEFKZRLEPBO-GDNBJRDFSA-N 429.270 4.319 50 40 IIGB CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(F)cc1 16248218 SFUGLYUMCLCISO-CVKSISIWSA-N 449.507 4.048 50 40 IIGB CN(C)C[N+](C)(C)Cc1ccc(C[N+](C)(C)C[N+](C)(C)Cc2ccc(CCl)cc2)cc1 19319797 QDWVJWXHVPBTMG-UHFFFAOYSA-N 448.119 4.331 50 40 IIGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccc(C(=O)O)cc1 33504014 XVYOCSBKVMXTFL-UYRXBGFRSA-N 435.443 4.178 50 40 IIGB COc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 33533463 TUFSDXGHNUFPFT-XDJHFCHBSA-N 427.460 4.258 50 40 IIGB Cc1ccc(-c2nn3c([n+]2-c2ccccc2)SC[C@H]3CI)cc1 33704778 YXOAWFPWIRWRAV-MRXNPFEDSA-N 434.326 4.217 50 40 IIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 59433310 KIGDQGBVPLSOQM-SRZZPIQSSA-N 428.788 4.109 50 40 IIGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)c1 408707270 ITYJMDWFXRGJNR-VULFUBBASA-N 444.491 4.142 50 40 IIGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 408743931 CPBNDCWGSXEWHO-WJDWOHSUSA-N 428.872 4.226 50 40 IIGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409008546 XPWXVQJVJTXITJ-MFKUBSTISA-N 432.480 4.177 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1 409314567 LFYXTEDHCNBVSY-INIZCTEOSA-N 441.940 4.368 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)c1 8811074 AVBMZCYORDFWLZ-ZMOGYAJESA-N 436.468 4.092 50 40 IIGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCCCC3)c2C)cc1C 20243784 KNHLUSZULRPVQA-ZMOGYAJESA-N 445.405 4.409 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 58912626 IWHXODWFLBSAPL-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408830017 MVJONRVBYSYWHQ-PTGBLXJZSA-N 441.578 4.101 50 40 IIGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccccc1C#N 408909016 BLXSPLGFQOWAAJ-RWPZCVJISA-N 443.503 4.292 50 40 IIGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cc2c(cc1Cl)OCO2 408978300 HWOZXLRONFNGBB-RAQUAXEKSA-N 449.894 4.080 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1NC(=O)c1ccccc1 409212995 RWZWCROYSJFMJT-LGJNPRDNSA-N 428.414 4.272 50 40 IIGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(C#N)cc2)c(OC)c1 1411011 VZVUSOLNYMONRP-CAOOACKPSA-N 441.281 4.378 50 40 IIGB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccccc2)c1 5941456 JKZXWIBLMBBYQP-NBVRZTHBSA-N 433.489 4.042 50 40 IIGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc2ccccc2o1 9444213 PMVYUNPRRZCALB-HYARGMPZSA-N 439.518 4.449 50 40 IIGB CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)CC(=O)N2C1 9693110 QILHELKUSRINCO-GOSISDBHSA-N 435.549 4.486 50 40 IIGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)C(C)(Cl)Cl 12558487 YKDNEBKTGBHGJS-GXDHUFHOSA-N 435.311 4.176 50 40 IIGB CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1 20764705 MAIOUBATFFJWBG-WSDLNYQXSA-N 435.318 4.408 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1C(F)(F)F 58912944 KTKGDGNLQRQMTB-KKMKTNMSSA-N 446.404 4.341 50 40 IIGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408608238 VOMWJUVMRUKJJE-FQEVSTJZSA-N 440.569 4.450 50 40 IIGB O=C(N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)C(=O)Nc1ccccc1F 408707568 KOTMHZRRZXEUJZ-BRJLIKDPSA-N 428.826 4.451 50 40 IIGB Cc1cccc(NC(=O)N/N=C\c2cc(Br)c(I)o2)c1 408953881 QKTKHPVOMPXTKU-APSNUPSMSA-N 448.058 4.111 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(C(=O)O)cc1 409192355 WSBYYMMIPWWIGS-MOSHPQCFSA-N 434.492 4.328 50 40 IIGB COc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)OCc2ccccc2)N=C(O)[C@H]1C#N 2296084 VUNQDEFBEBGEIG-UWJYYQICSA-N 433.489 4.100 50 40 IIGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 17098225 ZFVJACLJDHJMEZ-ZAVKOYKVSA-N 432.911 4.395 50 40 IIGB CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 20026755 CAVOZSAXLDQNEX-DYVFJYSZSA-N 441.944 4.062 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 223155552 XITQDIXJHAYKFP-MXAYSNPKSA-N 438.915 4.153 50 40 IIGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Cl)cc1Cl 408602524 CGNWQZBHISAVIT-INIZCTEOSA-N 436.368 4.247 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1 409330554 BCXRGYQFMOCDLG-GOSISDBHSA-N 441.940 4.449 50 40 IIGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 1904121 NDGSPGJYUYHDSW-NTEUORMPSA-N 449.290 4.159 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1C 2409137 FMYUUUXSCDNRAZ-IGCAKMCNSA-N 446.359 4.474 50 40 IIGB O=C(O)c1cccc2c1N[C@H](C(=O)O)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445855 JGVHSWXYIOECCL-ZWMDVYQCSA-N 448.884 4.044 50 40 IIGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 9883224 LRSGTGZREBZCQF-QGZVFWFLSA-N 444.560 4.466 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 13921357 ZHSXALNDQZWTSE-MZJWZYIUSA-N 441.409 4.373 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I 408744400 LAOOLOZTEYCBAT-WJDWOHSUSA-N 442.256 4.157 50 40 IIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1 408747451 OBUKBMGYNUKNBY-HAHDFKILSA-N 427.504 4.494 50 40 IIGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408810299 IOPXGYVNYMIYNZ-FOWTUZBSSA-N 425.282 4.405 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409015884 CELOGOHDSNROSW-JFLMPSFJSA-N 449.482 4.314 50 40 IIGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccc(C)cc1 11666761 SJXJEGPDRMFHBL-WXNAFCGMSA-N 425.941 4.129 50 40 IIGB CCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 59505997 HLFJQWPQBRZIRA-HYARGMPZSA-N 432.318 4.107 50 40 IIGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408640933 BQPNRMBOLLAEGL-KBXCAEBGSA-N 438.282 4.256 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1 408792701 CACKVQFQHLPNKI-CXUHLZMHSA-N 428.872 4.008 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)OC 408794774 JEVNPHGDLKWQPC-CXUHLZMHSA-N 428.872 4.145 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1 408828769 MEWJKASAECHEHU-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1 408844774 WLCAKITWSAUKRQ-LPYMAVHISA-N 447.969 4.056 50 40 IIGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 408888261 YCJOAIMEVTZKDW-NTUHNPAUSA-N 431.832 4.210 50 40 IIGB O=C(N/N=C/c1cc(Cl)cc(I)c1O)c1ccc(Cl)cc1 409190760 WAJDKNICTFZPJO-CNHKJKLMSA-N 435.048 4.068 50 40 IIGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1NC(=O)c1ccccc1 409210822 MPNLZJJITRPEHY-YDZHTSKRSA-N 439.313 4.015 50 40 IIGB N#CC1=C(SCC(=O)Nc2ccc(F)c(Cl)c2)NC(=O)C[C@H]1c1ccc(F)cc1 409314272 QULKWYNBVIUWEH-AWEZNQCLSA-N 433.867 4.329 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1Cl 409330940 CWXQNGHZHVZBIY-HNNXBMFYSA-N 427.913 4.059 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccccc1 1052634 ADDTWEXIYFUECG-JVWAILMASA-N 431.492 4.175 50 40 IIGB COC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 9509022 GJLUMKYUQACDFH-BFERYNQYSA-N 429.314 4.086 50 40 IIGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CCC2 13567710 INJLLOSOUCTIIO-DEOSSOPVSA-N 430.895 4.060 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1O 14134756 IBGNDQUZPBRAIX-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB C/C(=N\NC(=O)CNc1cccc(Br)c1)c1ccc(Br)cc1 15134168 CDECBZLUVMTCRQ-RGVLZGJSSA-N 425.124 4.164 50 40 IIGB COc1cc(SC#N)ccc1NC(=O)N/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C 16160659 WKFPMVNUCCBSBM-YBEGLDIGSA-N 441.900 4.350 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC)=C(C#N)[C@@H]1c1cccs1 20348238 UFZZBAGNDIWPJE-GOSISDBHSA-N 440.546 4.051 50 40 IIGB Cc1cc(C)nc(SCC(=O)N/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)n1 33305211 DOJHXRHONGFBFT-MYKKPKGFSA-N 433.459 4.145 50 40 IIGB Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C\c3ccc(O)cc3)[nH]n2)cc1 36685802 AUXAUNSUCYDAKF-YSMPRRRNSA-N 426.476 4.434 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc2c(c1)OCO2 408768128 TWOWCXWQEGOVJJ-JMIUGGIZSA-N 434.492 4.163 50 40 IIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1C#N 409144696 PIYVHOHKKOWIDG-VWLOTQADSA-N 439.471 4.460 50 40 IIGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2)cc1 409223132 HDYSTLVFOBWCKA-UYRXBGFRSA-N 427.460 4.264 50 40 IIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(Br)cc1 409352435 YWMSIJOYEKIEBW-AFUMVMLFSA-N 436.309 4.177 50 40 IIGB CC(C)(C)c1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)cc1 9328127 PWWFGGRCWMDHOL-FCQUAONHSA-N 440.547 4.468 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1nc2ccccc2nc1C 16265384 ZJTDJJFOAAQRBD-CVKSISIWSA-N 426.476 4.290 50 40 IIGB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@@H]5[C@@H]3C(=O)O[C@@H]5[C@@H]4Br)cc2)cc1 102644506 WJRHWCHMFPPOLG-BIEDPOGDSA-N 442.309 4.297 50 40 IIGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc(F)c3)c3ccccc32)c1 408541740 HKVIDLQTBPHPSR-MZJWZYIUSA-N 429.451 4.379 50 40 IIGB Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1 409091896 VNTSRPJLILWORC-XNTDXEJSSA-N 433.449 4.096 50 40 IIGB O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(=O)c2ccccc2Br)c1 10060104 LZZIOBCCDXNFMM-FJSJCOPRSA-N 439.265 4.425 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1 20348489 TWLIDFPROFBHRZ-HSZRJFAPSA-N 445.544 4.484 50 40 IIGB O=C(N/N=C\c1ccc(O)cc1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408734353 YDPAGXADCOIADO-MSXFZWOLSA-N 436.309 4.439 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)OC 408789937 STIIZDAJXJMDMD-CXUHLZMHSA-N 428.872 4.145 50 40 IIGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 408992739 BJWRQRTWVAZSGL-WYMPLXKRSA-N 447.988 4.017 50 40 IIGB CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)cc4)CC(=O)N3C2)cc1 2364656 QAXQZOJOYIFDJO-HXUWFJFHSA-N 449.532 4.091 50 40 IIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 13921367 LTUAGTJYZRBYGT-LGJNPRDNSA-N 439.874 4.455 50 40 IIGB O=C(CCSc1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28214842 ODONEVLNSYZLIZ-KOEQRZSOSA-N 439.581 4.147 50 40 IIGB CCOC(=O)/C(C#N)=C(O)\C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 104286760 SNAJJOCSGOXFJZ-CXYCUYCKSA-N 441.281 4.119 50 40 IIGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1)c1ccccc1 408805643 BJJIGYWRCIFKHS-WEKPXBEKSA-N 439.515 4.166 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Cl 408871388 ZKEVPJONFYFAAM-LZYBPNLTSA-N 445.302 4.246 50 40 IIGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl 409142792 BHUJIXZOOYTZRA-OAQYLSRUSA-N 441.959 4.287 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2)cc1 409218431 FGLRWUXRIQBOFJ-QFEZKATASA-N 435.867 4.282 50 40 IIGB COc1cccc(OC)c1OCc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)cc1C 789017 BEIBQTQKQVECOM-QFIPXVFZSA-N 446.507 4.149 50 40 IIGB N#C/C(=C(\OCc1nnc(-c2ccccc2)o1)C(F)(F)F)c1nnc2n1CCCCC2 3361256 GBWGBQULSXXKCP-SAPNQHFASA-N 430.390 4.068 50 40 IIGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCC2)cc1 59443837 SUYAJGMMMMXICG-UHFFFAOYSA-N 441.597 4.055 50 40 IIGB CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 103071518 UUPGMLSMMQJYPY-RSJDYURBSA-N 425.573 4.295 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 223155304 BBKSIBXPZNMDSJ-ROTLSHHCSA-N 431.370 4.063 50 40 IIGB C/C(=N\NC(=O)CSCCc1ccccc1)c1cccc(I)c1 408727675 RJIOYZHJGLOKBQ-XSFVSMFZSA-N 438.334 4.107 50 40 IIGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1cccc(Br)c1 409385792 KITAWCLEDDDSNG-ZMOGYAJESA-N 425.330 4.419 50 40 IIGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc(-c3cccc(C(=O)O)c3)o1)CO2 9396871 LJMJOKVRKXQGFA-YICJJFKUSA-N 448.475 4.232 50 40 IIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)Nc1ccccc1Cl 58883058 ZOLAXWQIXBMUPU-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1OC(=O)/C=C/c1ccccc1 408718642 NXAPUSFJPDDCQK-RRLLQXIXSA-N 444.487 4.477 50 40 IIGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c1 408748124 YTXVDFPFDPJQHE-QRVIBDJDSA-N 427.504 4.413 50 40 IIGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409020886 VDRGGAHFMCINCN-JFLMPSFJSA-N 445.519 4.402 50 40 IIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccn2-c2cccc(C(=O)O)c2)c1 409108267 ZBMIASLIASYXHU-WGOQTCKBSA-N 426.476 4.347 50 40 IIGB Cc1c(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl 409237921 JKIZSWRKSJNYBO-ZSOIEALJSA-N 427.291 4.407 50 40 IIGB COc1ccccc1[C@H]1C(C#N)=C(SCC(=O)OCc2ccccc2)N=C(O)[C@H]1C#N 2296085 VUNQDEFBEBGEIG-LAUBAEHRSA-N 433.489 4.100 50 40 IIGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 2350016 WAQMHGPVBSLWIV-INIZCTEOSA-N 426.885 4.468 50 40 IIGB N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 35151307 BPSLYEPZXQXNCG-QINSGFPZSA-N 447.919 4.199 50 40 IIGB COc1cc(NC(=O)c2ccccc2)c(OC)cc1N/C=C1/C(=O)OC(=O)c2ccccc21 97980977 OMPHUYROQSHXKE-NBVRZTHBSA-N 444.443 4.106 50 40 IIGB Cc1cc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc(C4CC4)cs3)cc2)no1 101179212 VNODSEBEEBNDCS-UVTDQMKNSA-N 427.511 4.094 50 40 IIGB COc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1 107930260 ORXSQGIEUSRDJB-QFEZKATASA-N 437.883 4.130 50 40 IIGB CCOc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408711760 JFPBRGGPGTVROW-XYGWBWBKSA-N 433.464 4.265 50 40 IIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)ccc1Cl 409212038 LMWRBLOCEHQBQV-FSJBWODESA-N 441.827 4.449 50 40 IIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 1468731 RLHGIDGDFKFCEJ-MFKUBSTISA-N 441.447 4.328 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2215935 SKJVLZPDGQDFPG-FQEVSTJZSA-N 448.320 4.186 50 40 IIGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)c1C 4090758 KSDOGTZUAXQCJD-CPNJWEJPSA-N 429.476 4.435 50 40 IIGB COc1cc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc(OC)c1OC 20238249 AYFXAZTVTHTTJV-KRWDZBQOSA-N 443.569 4.060 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccc(C)cc2)c1 408706787 DRIYOEPGAOXNSZ-AFUMVMLFSA-N 436.899 4.489 50 40 IIGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 408774239 YMDKQEGHGAWGHJ-MFOYZWKCSA-N 443.297 4.158 50 40 IIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 408776197 NEJWKZVRSJEMOH-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1 408800115 KQYMGGSDZMTVNJ-HSJQUHBMSA-N 439.515 4.166 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)cc1Cl 408972161 TUULWENIKWSONN-BRJLIKDPSA-N 426.879 4.284 50 40 IIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=O)COc2cccc3cccnc23)o1 409018307 UDQPUPFITXOYJV-ZMFRSBBQSA-N 429.432 4.031 50 40 IIGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl)c1ccco1 409228054 ZQJMJNBMMSOVQC-YVNNLAQVSA-N 448.218 4.478 50 40 IIGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N3C2)c(OC)c1 2363604 NXZCQHNSYNPICV-QGZVFWFLSA-N 425.485 4.062 50 40 IIGB O=C(O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 6445809 XFUDWICYIROLJB-PLKGPRKPSA-N 449.872 4.254 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCC)c(OC)c2)C(C#N)=C(N)O3)cc1 9349794 AAKQKLCRSMBINM-OAQYLSRUSA-N 446.507 4.491 50 40 IIGB CCCOc1ccc(C(=O)NNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1OC 21967209 FFFBHHWKDSSVLH-UHFFFAOYSA-N 440.471 4.277 50 40 IIGB CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccccc1 30838817 MTOKBQYEMLMLND-YUMHPJSZSA-N 446.503 4.450 50 40 IIGB CCOc1cc(Br)c(Br)c(/C=N/NC(=O)c2cccs2)c1O 32119126 PLAQFODPNAZIJO-REZTVBANSA-N 448.136 4.141 50 40 IIGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(C#N)cc1 408907391 MYUKBLRWOIVYMW-MXAYSNPKSA-N 427.420 4.384 50 40 IIGB CCCCN(CCCC)C[C@H](C(=O)Nc1ccccc1)/C(C)=N\NC(=O)c1ccncc1 5809907 JGTIVQGUKNVHLB-HZONWBDVSA-N 437.588 4.344 50 40 IIGB Cc1sc2ncn(CC(=O)N/N=C\C=C\c3ccccc3)c(=O)c2c1-c1ccccc1 6166527 AUSUCHDXMAYIAF-GWDFSCDVSA-N 428.517 4.249 50 40 IIGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 12402222 AZTMPAHETOIBGM-RUZDIDTESA-N 446.457 4.012 50 40 IIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccnc3)C3=C(CCCC3=O)N2)c1 20348009 NXEDSXPEALWOCM-QFIPXVFZSA-N 430.533 4.191 50 40 IIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3OC)cc2)cc1 59292014 GTAHVRSDQJZHAA-XDJHFCHBSA-N 428.444 4.469 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408675799 BBARUGXNPSEZAY-PCLIKHOPSA-N 431.496 4.366 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OC(C)=O 408766348 UOBCBOPMGTVSGR-OVCLIPMQSA-N 429.270 4.237 50 40 IIGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC 408866059 DGRHMMYTACGONI-RQZCQDPDSA-N 444.915 4.378 50 40 IIGB CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCc2ccc(Br)cc2)N1 9492603 AQEOQQXWLKITSO-QGZVFWFLSA-N 430.327 4.157 50 40 IIGB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)/C(C#N)=C1/Nc2ccccc2S1 105840738 ZWXCTRLIXMUIAY-IQRLKCEISA-N 429.841 4.316 50 40 IIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 3470511 UCUXTVIIHGKMHD-SSDVNMTOSA-N 433.251 4.221 50 40 IIGB COc1cc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc(Br)c1OC 8781368 BVXVUOAGOJEWRT-SSDVNMTOSA-N 436.350 4.068 50 40 IIGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cc2ccccc2o1 9097247 MWYFHNDJSFNTHU-HYARGMPZSA-N 439.518 4.449 50 40 IIGB Cc1ccc(CC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 9227235 NESLVEOMIKMEFY-BUVRLJJBSA-N 442.924 4.109 50 40 IIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C)o3)n2-c2ccccc2)cc1 19800132 VLXKFHLTXNURLL-OYKKKHCWSA-N 431.521 4.387 50 40 IIGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccccc2)cc1 20060158 HNRKWXNEVJODNA-BUVRLJJBSA-N 441.940 4.070 50 40 IIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247192 QEQJIMBQNYBBSW-DXPRYJPLSA-N 433.508 4.364 50 40 IIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1 58882953 OZDJJKKHZGOKSZ-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC 408968637 YCLKIKAVSPLVKN-WYMPLXKRSA-N 446.276 4.187 50 40 IIGB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12 9159370 PKQDFEFGKHIRFZ-NJYVYQBISA-N 426.472 4.074 50 40 IIGB COc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl 9632209 AXTWAKAQQKSOBM-BHGWPJFGSA-N 432.311 4.058 50 40 IIGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(C(=O)O)cc1 10000258 NEKXHRBDWUVWEF-VULFUBBASA-N 448.475 4.053 50 40 IIGB COc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)cc1 33569884 GAJPHLRCXRRLBL-XMHGGMMESA-N 427.460 4.258 50 40 IIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408732412 RBYOIYWXUAUFIO-UVHMKAGCSA-N 446.507 4.229 50 40 IIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408763575 PUXAOMNNLWFWTC-SSDVNMTOSA-N 443.253 4.180 50 40 IIGB O=C(CSc1ncccn1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408856557 CKXFZOSQWULGOR-JFLMPSFJSA-N 428.517 4.451 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 408888097 SLVQJZDOLPWKJL-AFUMVMLFSA-N 449.463 4.263 50 40 IIGB Cc1cc(NC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)ccc1Br 409187582 SCZABGJYVQYRDB-JJFYIABZSA-N 448.317 4.244 50 40 IIGB COc1cc(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409208593 CTTPZDVRTNRQBO-AWQFTUOYSA-N 443.750 4.362 50 40 IIGB COc1cc(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1O 409213691 SPUAPHAQHOHBKR-UFWORHAWSA-N 429.723 4.059 50 40 IIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OC)c2)cc1OCC 409334482 MCRYHDXNVYAJIB-OYKKKHCWSA-N 432.904 4.475 50 40 IIGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(C(=O)O)cc1 2300295 HOWMLLLLOMCZPC-WGOQTCKBSA-N 426.476 4.347 50 40 IIGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(Oc3ccccc3F)nc12 3644239 IWUFSXPKQIPMTM-SAPNQHFASA-N 446.482 4.290 50 40 IIGB CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)N=C=O 8700544 OYIAIBCWADDXMC-UHFFFAOYSA-N 441.565 4.427 50 40 IIGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(Cl)c2)N2C(=N1)SC(C#N)=C2N 408605217 LAUVBVOXFHRGKG-GOSISDBHSA-N 446.960 4.467 50 40 IIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2OC)cc1 408792120 IDRCKHIMPAOIKZ-NTUHNPAUSA-N 449.688 4.443 50 40 IIGB Cc1ccc(CN(c2ccc(C(=O)NN=C3CCCCCC3)cc2)S(C)(=O)=O)cc1 409027750 QGZWFTZLWCLQCJ-UHFFFAOYSA-N 427.570 4.401 50 40 IIGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 2341861 PLDAYLLRGFOCJO-QFIPXVFZSA-N 445.544 4.154 50 40 IIGB Cc1cc(C(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)[nH]n1 9113393 BFJGTQNSZDUNCF-RUWBFCIHSA-N 427.262 4.366 50 40 IIGB O=C(N/N=C/c1c(F)cccc1Cl)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9632700 VHFHADOOHVEYGE-LGJNPRDNSA-N 434.858 4.001 50 40 IIGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccccc1Br 13573631 JOZWWSKKCMKOHK-ZMOGYAJESA-N 432.362 4.030 50 40 IIGB CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)[C@H](Cl)c2ccccc2)cc1 19632677 VYNMIZTWWAFUEJ-HXUWFJFHSA-N 440.908 4.157 50 40 IIGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)NCCCc1ccccc1 409237846 JDVUYKMLBVWQEW-LCYFTJDESA-N 438.119 4.461 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OC 409323784 QMGRCSRVRHXNKJ-QQXSKIMKSA-N 434.492 4.445 50 40 IIGB O=C(O)c1cccc2c1N[C@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445774 JGVHSWXYIOECCL-KPYMUPAYSA-N 448.884 4.044 50 40 IIGB O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc([N+](=O)[O-])cc1 9136827 VLXMWBJKPFEGLQ-UHFFFAOYSA-N 427.420 4.277 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1Cl 58914732 LCNUKEAGRXEPEX-KSEXSDGBSA-N 432.263 4.351 50 40 IIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 58928363 PJQUINXAEVGPFH-CVKSISIWSA-N 447.560 4.396 50 40 IIGB N#C/C(=C/c1ccccc1OCc1ccccc1C#N)C(=O)N1CCN(c2ccccc2)CC1 59333353 DFYAHLLNIKQGAR-BWAHOGKJSA-N 448.526 4.393 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408735292 PUWCRLMUSHYWOE-CXUHLZMHSA-N 428.872 4.145 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OC 408753240 FTPNLVVCHBUUSN-OEAKJJBVSA-N 442.313 4.411 50 40 IIGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408766384 DBRVIDIVWQBOCP-LYBHJNIJSA-N 429.586 4.345 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCCCC)cc1 2081162 XQXZMIPOQOIIMQ-HZHRSRAPSA-N 429.314 4.404 50 40 IIGB CN1/C(=C\C=N\NC(=O)CNc2ccc(Br)cc2)C(C)(C)c2ccccc21 6179424 XXQWJFAUUJESQD-BCFQCKSHSA-N 427.346 4.275 50 40 IIGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1cccs1 9934804 JYASZSGWTORTBL-AFUMVMLFSA-N 437.521 4.237 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)OC 59336293 RMHMEVMZNBQCME-ZROIWOOFSA-N 449.290 4.490 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC 59484025 XZPYMYZMRXRRGO-ZSOIEALJSA-N 448.260 4.163 50 40 IIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1Oc1ccc([N+](=O)[O-])cn1 1414023 BIYCWPZWPCGABO-WYMPLXKRSA-N 432.392 4.301 50 40 IIGB C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(I)cc1 10118592 RLJINBGFLGMHCJ-RGVLZGJSSA-N 440.668 4.273 50 40 IIGB COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2ccccn2c1=O 16805854 GHWNVXHZUJCDDH-BMRADRMJSA-N 438.443 4.041 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@H]1c1ccccc1Cl 20170522 KYTPQYQQTDLRKR-LJQANCHMSA-N 432.929 4.061 50 40 IIGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OC 27834809 UKWLWRROQLDHIO-WYMPLXKRSA-N 442.313 4.182 50 40 IIGB COc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccc(C#N)cc1 408542522 JKUFXCMPVWHVLT-GIDUJCDVSA-N 428.311 4.101 50 40 IIGB COc1ccc2ccccc2c1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21 408605225 LBHQDNWGVIXBOE-FQEVSTJZSA-N 434.521 4.185 50 40 IIGB N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408798539 VRZOBHIPEYCTLG-CAPFRKAQSA-N 429.476 4.241 50 40 IIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 408807526 CPCDAEHQKAKXTH-JAIQZWGSSA-N 429.476 4.055 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCCOc1ccc(Cl)cc1 409205160 NXYDOOCFRFOMDS-GHRIWEEISA-N 426.900 4.382 50 40 IIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 821232 RNKHDLIWBGJCHG-JFLMPSFJSA-N 433.508 4.036 50 40 IIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1O 1434481 LVQKHUSBULUGAH-YDZHTSKRSA-N 427.298 4.399 50 40 IIGB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=CC(C#N)=CN12 2345401 PKQDFEFGKHIRFZ-HKBOAZHASA-N 426.472 4.074 50 40 IIGB CCn1c(SCC(=O)N/N=C2\C(O)=Nc3c(C)cc(C)cc32)nnc1-c1ccc(C)cc1 2659146 LZWMWUQARZLRNP-UHFFFAOYSA-N 448.552 4.104 50 40 IIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OCC)cc4)c32)cc1OC 6162514 GYLKTHWKPYUIAJ-OAQYLSRUSA-N 446.507 4.491 50 40 IIGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(C)cc2)cc1 59953575 BXEASFSHXSGLIQ-UHFFFAOYSA-N 443.569 4.025 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408774285 YVRWAFLVERLTEW-YYADALCUSA-N 449.576 4.348 50 40 IIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccn(Cc2ccc(Br)cc2)n1 1089325 DEENFLDQIHZLPL-ZMOGYAJESA-N 449.308 4.317 50 40 IIGB COc1ccc(C(=O)C2=C(C(F)(F)F)OC(N)=C(C#N)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1089469 KZBPFQAKWLRVNR-MRXNPFEDSA-N 445.353 4.110 50 40 IIGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c21 2225016 KRFJVJPRJKMHPP-HSZRJFAPSA-N 427.504 4.016 50 40 IIGB COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1 9614434 JQBATSTXJPOUQS-CVKSISIWSA-N 432.476 4.060 50 40 IIGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Br 10060109 ZZESMDVCHDARHF-VXLYETTFSA-N 426.108 4.374 50 40 IIGB CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 13567612 NEVRATXNHUGBOA-SANMLTNESA-N 442.494 4.041 50 40 IIGB CCCOc1ccc([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27298030 FCMWICPKZIIPRO-ZJSXRUAMSA-N 445.567 4.008 50 40 IIGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)sc2ncnc(N)c12 33612856 IQJNCZUMVITCAF-JQAMDZJQSA-N 438.944 4.407 50 40 IIGB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(/C=C(/C#N)C(N)=O)cc2)cs1 98006975 ONEUJRSFRGUMER-NTCPEWOASA-N 444.516 4.075 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408786960 YQMUCDFEKHXNSI-LKUDQCMESA-N 435.549 4.039 50 40 IIGB Cc1ccsc1/C=N/NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 408906589 HZUOQTBCMVZEIN-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCC 409134002 VFYHBCCCIKORBU-KRWDZBQOSA-N 433.302 4.061 50 40 IIGB N#CC1=C2SC[C@@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 12275096 ZNVQPHSBYBWDED-OXQOHEQNSA-N 434.414 4.488 50 40 IIGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 19947791 JHBUGZJYUBHFAK-KOEQRZSOSA-N 435.549 4.156 50 40 IIGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CN2CCCCC2)c1C 20243783 KXMPVGJOMGWOKH-ZMOGYAJESA-N 445.405 4.409 50 40 IIGB COc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1 107802867 LJVGVRJDJHDQRR-QFEZKATASA-N 437.883 4.130 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2sccc2C)c(C(=O)OCC)c1C 408546015 CGHQGZGYCYFYSP-NTEUORMPSA-N 431.535 4.499 50 40 IIGB N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 691142 KFOIWHLGECEKQJ-IIBYNOLFSA-N 442.910 4.157 50 40 IIGB N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc(F)cc1 883547 ZNIBRDZXYUJDSS-SFQUDFHCSA-N 442.450 4.235 50 40 IIGB O=[P@](c1ccccc1)(c1ccc(Br)cc1)[C@@H](O)C(Cl)(Cl)Cl 1713537 HTQBYXWXVYEJQC-LRTDBIEQSA-N 428.477 4.452 50 40 IIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(Cc3ccccc3)CC=C12 8926349 BTIIWIFSPDNJFX-PKTZIBPZSA-N 425.923 4.266 50 40 IIGB CCC/C(=N/NC(=O)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccccc1 9046656 YGUJCRWTPQEBTK-PNHLSOANSA-N 432.520 4.260 50 40 IIGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 35169249 BBOIHPCWBJUDQB-MTDXEUNCSA-N 431.511 4.121 50 40 IIGB COc1cc(/C=C(/C#N)S(=O)(=O)C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 35622994 AHMXZRSYPJVKBX-WQRHYEAKSA-N 430.482 4.260 50 40 IIGB COc1ccc([C@@H](C)[C@@H](Br)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1 39574119 QLTVSTXOWFRMFJ-LSBZLQRGSA-N 432.314 4.152 50 40 IIGB O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 59433881 LNZLBFWYFSECKY-GZIVZEMBSA-N 448.626 4.210 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)CC2=O)cc1 409151757 HJJGPNDRISGQHG-VPZZRGLESA-N 427.504 4.077 50 40 IIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccnc1 2351729 CBKWENUEJFYORO-AWQFTUOYSA-N 435.987 4.121 50 40 IIGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc4ncsc4c3)cc2)cc1 3356303 VHPLDIBNGYKXFG-UHFFFAOYSA-N 447.516 4.349 50 40 IIGB CCOC(=O)c1csc(N(NC(=O)NC2CCCCC2)C(=O)Nc2ccc(C)cc2)n1 8754245 UIKASQHKSRLOTP-UHFFFAOYSA-N 445.545 4.214 50 40 IIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1N1CCCCC1 19096929 XIPZXLGTKMCWPO-JOCHJYFZSA-N 432.524 4.178 50 40 IIGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1 38683197 DWJDZNBDHZSAHR-HSZRJFAPSA-N 440.455 4.219 50 40 IIGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(C(=O)O)cc4)cc3C2)cc1 58872027 MSXYHJJMCWUESM-VULFUBBASA-N 429.476 4.068 50 40 IIGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1 107587864 CATZZGXXQFZEDL-UNOMPAQXSA-N 443.415 4.418 50 40 IIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)cc1Cl 408590935 RLBFNLVURWAOCG-KBKYJPHKSA-N 438.915 4.347 50 40 IIGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCC1 408779752 JTKJOGAPWGSXSE-UHFFFAOYSA-N 440.352 4.235 50 40 IIGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cccc(Cl)c1Cl 409011384 HOAIYMXBMHCEMO-IFRROFPPSA-N 426.101 4.476 50 40 IIGB Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)cc1 872804 IYXRHEHXXNXCKI-QFXGEWDLSA-N 429.520 4.231 50 40 IIGB COc1ccc2c(c1OC)C(=C(Cl)Cl)N1CCc3cc4c(cc3C1=C2C=O)OCO4 1582947 IJHFOZDRHGKZTQ-UHFFFAOYSA-N 446.286 4.475 50 40 IIGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c21 2225018 KRFJVJPRJKMHPP-QHCPKHFHSA-N 427.504 4.016 50 40 IIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 3164510 UJKRJKVTJMEHDG-AFUMVMLFSA-N 446.308 4.461 50 40 IIGB O=C(CN1CCCc2ccccc21)NNC(=O)c1ccccc1-c1nc2ccccc2s1 9111665 ZPDQCFILDUQJRR-UHFFFAOYSA-N 442.544 4.177 50 40 IIGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)COc1ccc(F)cc1 9665848 IBGROSMTNMPIHH-YSURURNPSA-N 435.286 4.215 50 40 IIGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O)cc3O)o2)cc1 105839146 COSZIRNEQJSJTD-WGARJPEWSA-N 445.475 4.441 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408782537 JYMLVXPWJUFGRO-YYADALCUSA-N 449.576 4.348 50 40 IIGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccccc1 408875192 GYVNYNJITLZEIZ-ZVBGSRNCSA-N 437.308 4.198 50 40 IIGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1 409024163 ALHFCZSLXVKNPJ-PXLXIMEGSA-N 447.969 4.137 50 40 IIGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(C)cc3OC)c3ccccc32)o1 409389541 BYFKKGGJHPLYMW-LGJNPRDNSA-N 445.475 4.150 50 40 IIGB CCC[C@@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)C1CCC(CC)CC1 4704014 QISJTFQIKDAKLV-JTTJXQCZSA-N 425.367 4.360 50 40 IIGB CCOC(=O)/C(C#N)=C/C=C(\Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 16682021 UZAICRHTUWNATC-OEEOKFAFSA-N 437.912 4.462 50 40 IIGB C=CCc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(OCC)c1O 59250066 GQFBNQNHPZMQLW-WSDLNYQXSA-N 433.302 4.054 50 40 IIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 59463276 IPHHJSYFSIDVOJ-RPPGKUMJSA-N 437.883 4.210 50 40 IIGB COc1c(Cl)cc(/C=N/NC(=O)c2cccc(I)c2)cc1Cl 408879379 DBTZFQXCLFIOMG-UFWORHAWSA-N 449.075 4.371 50 40 IIGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1O 409050115 YZCFNGTWMWZQQM-YDZHTSKRSA-N 425.282 4.498 50 40 IIGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C)ccc3C)=C2C#N)cc1 409328214 ZZOXCMYLQKZPCU-LJQANCHMSA-N 435.549 4.413 50 40 IIGB Cc1ccccc1N1C(=O)[C@H](Cc2cc(Cl)ccc2Cl)S/C1=C(/C#N)C(N)=O 1454251 NEZWZPHIGXGPQF-PNWWAVQQSA-N 432.332 4.213 50 40 IIGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 1757977 VVCFCLGZQYQTCN-LTGZKZEYSA-N 444.535 4.386 50 40 IIGB COc1ccc(OC)c([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1 2434515 SWYXAMMGGMRCCA-OAHLLOKOSA-N 425.485 4.062 50 40 IIGB aggregator CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1C 3376380 GDVNWCLEZKNRKF-CXUHLZMHSA-N 444.875 4.165 50 40 IIGB Cc1cc(NCC(=O)N/N=C/c2ccc(C(C)C)cc2)ccc1I 8742349 ZHGMTDWYFJGNBI-SSDVNMTOSA-N 435.309 4.285 50 40 IIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCC)c(OC)c2)C(C#N)=C(N)O3)cc1 9349793 AAKQKLCRSMBINM-NRFANRHFSA-N 446.507 4.491 50 40 IIGB CCc1ccccc1N1CSC2=C(C#N)[C@H](c3cc(OC)ccc3OC)CC(=O)N2C1 9693176 SAOJNZWMSRWHPW-SFHVURJKSA-N 435.549 4.486 50 40 IIGB COc1cc(C(=O)NNC(=O)COc2ccc(Nc3ccccc3)cc2)ccc1OC(C)C 17818685 XSYLAXZYPCIGBS-UHFFFAOYSA-N 449.507 4.066 50 40 IIGB COc1cc(/C=N/NC(=O)CCl)cc(Br)c1OCc1ccccc1Cl 28217941 KOFZFKMZMJPRDQ-ZVBGSRNCSA-N 446.128 4.379 50 40 IIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccccc1 113833249 PGDCIJJZBJLXIU-GHRIWEEISA-N 431.473 4.403 50 40 IIGB N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)NCc1ccccc1 408545388 YKZAUMUIWDTEHJ-PDGQHHTCSA-N 425.444 4.204 50 40 IIGB CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408570169 SJTUOOOPXLQLTP-LPYMAVHISA-N 432.567 4.102 50 40 IIGB COc1cccc2cc(C(=O)N/N=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)oc12 409201455 NCGKQHXOIIMENJ-AFUMVMLFSA-N 430.464 4.008 50 40 IIGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(NC(=O)C(C)(C)C)c1 27692277 MSPQBVPIJFJZNK-MRXNPFEDSA-N 433.508 4.053 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1O 59474980 MPVGCOIKRFHCIJ-AUWJEWJLSA-N 448.260 4.168 50 40 IIGB Cc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 109017592 LTCGCHYBNMUKRJ-LSCVHKIXSA-N 441.079 4.192 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 109038292 ZHZWWMZAPUYITH-UCQKPKSFSA-N 434.477 4.468 50 40 IIGB C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 408837285 BPKRQJFXQANTCL-XHLNEMQHSA-N 444.554 4.298 50 40 IIGB Cc1ccccc1NC(=O)N/N=C\c1cc(Br)c(I)o1 408949855 CNVVQINWYCIBMJ-APSNUPSMSA-N 448.058 4.111 50 40 IIGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)CC2=O)cc1C 409165507 YVQJRGAHNZBVFM-JPJGIZCJSA-N 441.531 4.386 50 40 IIGB COc1cccc(/C=N\NC(=O)Nc2ccccc2C)c1OCc1ccc(C(=O)O)cc1 409186335 ANTJSVYNESJHDX-QFEZKATASA-N 433.464 4.436 50 40 IIGB COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c1 409268590 WFVOKDZQYHFXBX-YSMPRRRNSA-N 431.492 4.093 50 40 IIGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(SC)cc3)CC(=O)N2)c1 409317503 UPSJGXHYRBPEDT-GOSISDBHSA-N 439.562 4.128 50 40 IIGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3373372 BYUQHFJVQMBFAD-UHFFFAOYSA-N 440.912 4.132 50 40 IIGB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2C1 13135135 HIUHNSMHFWSAPZ-OAHLLOKOSA-N 438.487 4.358 50 40 IIGB COc1ccc([C@@H]2CC(=O)N3CN([C@@H](C)c4ccccc4)CSC3=C2C#N)cc1OC 20348148 CQFCJCBEYIFKDC-LPHOPBHVSA-N 435.549 4.480 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC 28217613 PNEFPXHDURJYDL-AFUMVMLFSA-N 425.916 4.458 50 40 IIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 59249529 XADSBLRMEKVABA-WYMPLXKRSA-N 425.872 4.218 50 40 IIGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)ccc1C 408707176 HUAOTSOCEQYNJU-AQXNZCSYSA-N 445.361 4.174 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 408804456 GGPSXERATZTZCF-CAPFRKAQSA-N 447.535 4.459 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408880712 IEKCFMCJWMZXNH-XMHGGMMESA-N 448.500 4.317 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1Cl 409317567 VMSLBRKXOHUSJD-HNNXBMFYSA-N 445.903 4.198 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)C)cc1 2080879 OBDHIPCHYVXBFM-YDZHTSKRSA-N 429.314 4.114 50 40 IIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 2797327 DBGFCEIIUZOONS-XNTDXEJSSA-N 433.376 4.107 50 40 IIGB CC(C)Oc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(I)cc1 10118591 JPVGLRKJUDTSTL-KEBDBYFISA-N 442.684 4.496 50 40 IIGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(O)cc1 13617938 NXOPYEVPQPRRJE-ONUIUJJFSA-N 430.533 4.423 50 40 IIGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1 27016773 YJOKWNDZRSHRJQ-XMHGGMMESA-N 427.464 4.367 50 40 IIGB Cn1cccc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 28350638 GLRRYJPCNLAYDR-CFRMEGHHSA-N 437.956 4.319 50 40 IIGB CCOc1cc(C(=O)N/N=C(/C)c2ccc(C)c([N+](=O)[O-])c2)cc(OCC)c1OCC 34690562 ZGJHOSOZXOTOAT-HAHDFKILSA-N 429.473 4.253 50 40 IIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(O)c(Br)cc1Br 57476925 UPKIERGUQLGGON-UFWORHAWSA-N 446.526 4.263 50 40 IIGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(C(=O)O)c1 408542228 IJICCQFYSORFSM-ODLFYWEKSA-N 443.415 4.418 50 40 IIGB COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)c1 408960908 JGIKMYGNCFRCBO-WYMPLXKRSA-N 447.403 4.460 50 40 IIGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1 18173171 IINBZQWKNPXREO-BUVRLJJBSA-N 441.940 4.070 50 40 IIGB CCOc1cccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c1OCC(=O)O 33305220 WIKDQPXRAPMAQQ-MXAYSNPKSA-N 432.432 4.212 50 40 IIGB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1 96892669 ONYSHAVUKFUPTJ-SWEXZPIWSA-N 433.508 4.213 50 40 IIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(I)c2)cc1 408788927 NDFKSZCEFHLFNE-XNTDXEJSSA-N 443.244 4.048 50 40 IIGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1cccc([N+](=O)[O-])c1 408905357 XSWTWOWZPFMFQI-FMCGGJTJSA-N 447.407 4.421 50 40 IIGB CC(C)Oc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408978479 IQZAPBZGOWJHLV-BYEYKRMRSA-N 429.520 4.485 50 40 IIGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCC(=O)O 409045754 HQPILVNNPYTDTI-OVCLIPMQSA-N 449.244 4.217 50 40 IIGB COc1cccc(/C=C(/C#N)C(=O)NC2CCCCC2)c1OCc1ccc(C(=O)O)cc1 409186608 FLTPIWJWJHBXFY-ZHZULCJRSA-N 434.492 4.328 50 40 IIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCC#N)cc2c1 409186964 KFIWPKWURRYJFA-FMCGGJTJSA-N 442.269 4.260 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1OC 2020937 PDKGFDGPDIYRNG-AFUMVMLFSA-N 437.883 4.373 50 40 IIGB O=C(N/N=C/c1cccc(Cl)c1)C1CCN(Cc2ccc(Br)cc2)CC1 8780785 WJOKTMQRMWFAOG-YDZHTSKRSA-N 434.765 4.465 50 40 IIGB COc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846197 ACRCGQYKBVPKKQ-XMMPIXPASA-N 435.487 4.348 50 40 IIGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2OCC)C(C#N)=C(N)O3)cc1OC 9292541 TUKBJCUTFNIYLN-FQEVSTJZSA-N 432.480 4.101 50 40 IIGB CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1OC 12275358 LVSKWWWYXKDXDP-KOSHJBKYSA-N 436.533 4.046 50 40 IIGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 19948004 QJCMBOUFXXFFHO-YZSQISJMSA-N 449.576 4.464 50 40 IIGB COc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 35104928 ZBEHTBLIGQZTLF-FSJBWODESA-N 443.297 4.392 50 40 IIGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2cncc(Br)c2)c1O 57476835 KCTKAECCNGJBOC-IFRROFPPSA-N 433.089 4.019 50 40 IIGB COc1ccccc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59148090 QJXZDXCDEUPNPI-LPYMAVHISA-N 436.380 4.068 50 40 IIGB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1 100922988 AFPMEVBXNRRHPB-AQTBWJFISA-N 438.742 4.085 50 40 IIGB COc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1Br 408735045 MTYWKHKCCUAQGC-VZUCSPMQSA-N 440.091 4.037 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2215937 SKJVLZPDGQDFPG-HXUWFJFHSA-N 448.320 4.186 50 40 IIGB CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1ccc2[nH]ccc2c1 9423748 ZRADMWLIYOWOEP-JCMHNJIXSA-N 435.487 4.397 50 40 IIGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)c(C)c1 9345227 ADTMVXSCKOLKQP-XDJHFCHBSA-N 442.519 4.460 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cc(C)ccc2C)cc1 16309508 PEXRJIDSAUYHPK-OEAKJJBVSA-N 441.578 4.019 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccccc1Cl 408608253 VPZPYCFHLOYOSG-LJQANCHMSA-N 436.924 4.425 50 40 IIGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 408825758 FPDBSKOPLJCYNH-UHFFFAOYSA-N 431.533 4.238 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1cccnc1 1322010 AISZXKHDLFEBFL-NLRVBDNBSA-N 442.548 4.270 50 40 IIGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 1888562 FASIOJOWPJBWTR-BAACNHRGSA-N 436.295 4.044 50 40 IIGB O=C(O)COc1ccc(Br)cc1CP(=O)(c1ccccc1)c1ccccc1 2336959 LTYCMLBLOMVVTA-UHFFFAOYSA-N 445.249 4.427 50 40 IIGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1Cl 6134847 POYJLPWXRIEWJE-QMPKWXHSSA-N 440.931 4.265 50 40 IIGB CC(=O)c1cccc(N/C=C2\C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)c1 9423342 CPHBFVBIUNJPQA-HAHDFKILSA-N 438.487 4.118 50 40 IIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)o1 83295689 MVZKSGQRKYHQCK-FBHDLOMBSA-N 444.241 4.395 50 40 IIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 108097900 GDLGQEYNZMDQBJ-SSDVNMTOSA-N 426.816 4.231 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 223151570 OXBMMJASNWSVGD-KSEXSDGBSA-N 432.263 4.351 50 40 IIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408765054 WCUKMMPEVXKABI-ZVHZXABRSA-N 431.473 4.289 50 40 IIGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c(C)c1 2380714 PPBFBHJSTSZNOY-HMMYKYKNSA-N 442.519 4.332 50 40 IIGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2O)cc1 3090818 RYGLCEUDLGCMIR-NUSWBYGWSA-N 443.503 4.102 50 40 IIGB C/C(=N\NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccc(Cl)cc1 12659652 XCCQLESNYKSBPP-PCLIKHOPSA-N 430.899 4.196 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 32109832 LDXSYCIBRZUXQL-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SC)N[C@]1(O)c1ccccc1 34714511 KHKYGIMJQVADDJ-IPJJNNNSSA-N 428.941 4.150 50 40 IIGB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 59333375 YANNXMLTKDFICY-JXAWBTAJSA-N 440.341 4.104 50 40 IIGB N#C/C(=C\C1=Cc2cc(Br)ccc2OC1)C(=O)Nc1ccc2c(c1)OCCO2 84459552 FEFYADOWJNKVSP-OVCLIPMQSA-N 439.265 4.085 50 40 IIGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 408789878 OFYWUUOKKFHVQP-GDNBJRDFSA-N 444.329 4.468 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408984542 RUKLAALFTLELFN-AUWJEWJLSA-N 449.290 4.408 50 40 IIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)cc1Br 409147335 WOXDLRBIUGFNPV-UFFVCSGVSA-N 444.241 4.395 50 40 IIGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 904004 JIRKZXICDCEIKU-DHRITJCHSA-N 426.831 4.227 50 40 IIGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1c[nH]nc1-c1ccc(F)cc1 1087780 MTXLHOVGCJYXCO-KSFYIVLOSA-N 426.451 4.424 50 40 IIGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Oc1nc(Cl)ncc1F 15224561 JRSVOHRYOZWTAP-PGGKNCGUSA-N 435.242 4.487 50 40 IIGB C=CCc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1O 18194733 YTXUZHRESAANDP-MFKUBSTISA-N 444.447 4.045 50 40 IIGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)NCCCc1ccccc1 409229269 MKMHSBHKJRSUPW-NKFKGCMQSA-N 439.515 4.360 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1OC 9007543 AJQLWZMAXCOTDZ-FSJBWODESA-N 443.843 4.218 50 40 IIGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 13045465 YGVGTWAGSVMTHC-OAQYLSRUSA-N 437.521 4.301 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 16691724 KHUXIODLPPIKRG-GHXNOFRVSA-N 432.230 4.007 50 40 IIGB C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1cccc(I)c1 20248051 QLQVJTYLOWTYJJ-GNUZOCDUSA-N 438.334 4.453 50 40 IIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 23411037 PXUWXOLGBHCURQ-LSHDLFTRSA-N 433.302 4.004 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl 409245013 MCWKHQPFMPZZHX-KHAFMBKQSA-N 433.291 4.330 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1 409370296 OILYJIKMFCSMRQ-AQTBWJFISA-N 445.450 4.397 50 40 IIGB Cc1ccc(C(=O)NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c(C)c1 12699864 HTIJAZJZMDYCNN-UHFFFAOYSA-N 426.472 4.460 50 40 IIGB CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 20026759 CAVOZSAXLDQNEX-CXAGYDPISA-N 441.944 4.062 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc2c(c1)OCO2 59334894 ZQOJINUCDSDELF-JAIQZWGSSA-N 434.492 4.117 50 40 IIGB O=C(NNC(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 59530791 PFWHQFSQWMZBBL-UHFFFAOYSA-N 445.241 4.213 50 40 IIGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 107617209 MLTPXBVRDOHPDQ-MUBJSKCLSA-N 434.290 4.227 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409161159 YXMFFZANLKHFLQ-QDCCHXAWSA-N 447.922 4.422 50 40 IIGB C#CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(I)cc1 409371038 FLXHDKWLRDOVFW-GDNBJRDFSA-N 430.201 4.276 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(C)cc1 934903 YCYFNVIEWFDYHN-RWZYYMRUSA-N 446.359 4.474 50 40 IIGB COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OC(=O)c1cccs1 12859518 DEBISKLWPVADIY-ZMOGYAJESA-N 438.505 4.122 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OCC)c(O)cc2Br)cc1 30798125 BMECAJNBEWLZBO-ZROIWOOFSA-N 431.286 4.498 50 40 IIGB O=C(N/N=C\c1ccc(O)c(Br)c1)c1cc2cc(Br)ccc2o1 408853045 YFNFUBMEWZHOKD-UWVJOHFNSA-N 438.075 4.427 50 40 IIGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cccc1[N+](=O)[O-] 408868853 NTNFBZZTZMDRAF-YDZHTSKRSA-N 434.408 4.154 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409005644 FZJUDPJMCSMTGQ-QQXSKIMKSA-N 431.492 4.175 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1O 409054875 HAAZRTASVNEIQZ-FSJBWODESA-N 425.828 4.297 50 40 IIGB COc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)OCc2ccccc2)N=C(O)[C@@H]1C#N 2296082 VUNQDEFBEBGEIG-UTKZUKDTSA-N 433.489 4.100 50 40 IIGB O=C(CNc1cccc2ccccc12)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 2349457 AKHTVTYCBGKLCZ-BXVZCJGGSA-N 434.499 4.319 50 40 IIGB CC(=O)NNc1nc(C)c(C(/C=C/c2ccc3c(c2)OCO3)=N/Nc2ccccc2)s1 16958129 YJIYIZVSNDWVOT-IOCMRUIQSA-N 435.509 4.173 50 40 IIGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Cl)cc3Cl)s2)cc1 59498794 DCBNNWOFVJLIMB-LSHDLFTRSA-N 448.335 4.098 50 40 IIGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(OC)c1 951100 DXHIXSMZPGMTLK-OMTKTPHQSA-N 430.460 4.411 50 40 IIGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)c(OC)c1 2235889 MQIKPIJWPHQHAN-QGZVFWFLSA-N 425.485 4.062 50 40 IIGB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3S[C@@H](Cl)C(F)(F)F)cc2o1 12560866 QRSCSAZNGLCGOF-CYBMUJFWSA-N 438.836 4.141 50 40 IIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 16688314 FYICKUBYNMPQDS-XDHOZWIPSA-N 447.922 4.498 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccccc1 33342686 OMRRJZOBWJGBBP-ZMFRSBBQSA-N 434.521 4.252 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1F 33741100 QPERYTNEFWTITF-DICXZTSXSA-N 449.482 4.314 50 40 IIGB CSc1nc(C2CC2)cc(C(=O)OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)c1C#N 104625562 WLTZONIBKJCCLV-WFQDKNAWSA-N 440.569 4.028 50 40 IIGB COc1ccc2cc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)c(Cl)nc2c1 106500300 VKIHWYDLAZOSNJ-RPPGKUMJSA-N 444.878 4.161 50 40 IIGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 110470107 HOULGAGHBXDWOO-DHRITJCHSA-N 440.415 4.119 50 40 IIGB CC(C)(C)[Si](OCCCCCCC[C@@H]1N[C@H]1CO)(c1ccccc1)c1ccccc1 169807306 BGUXLCIDVLNRLF-DQEYMECFSA-N 425.689 4.236 50 40 IIGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408941032 JKQCLHLMPGXSEI-WYMPLXKRSA-N 425.872 4.218 50 40 IIGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(Br)o1 409001574 WPPLGLWKXGATCQ-REZTVBANSA-N 432.137 4.188 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Br)s1 705780 MBRZVYFGTLVDNB-HNNXBMFYSA-N 431.311 4.293 50 40 IIGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1O 1766161 RVYREKHUEYUDRF-AFUMVMLFSA-N 442.431 4.288 50 40 IIGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)NCc1ccccc1 3273601 ZUMMXMAXVLAJFW-AWNIVKPZSA-N 436.103 4.141 50 40 IIGB CC1(CC(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SCCS1 9489284 UJFAONSJQRAUIY-FYJGNVAPSA-N 431.539 4.210 50 40 IIGB Cc1ccc(C(=O)NC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 101328682 QQAPODBEFYMPNK-UHFFFAOYSA-O 438.487 4.246 50 40 IIGB CCOc1cc(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c1O 109167639 FVDAUVYPNQNWGI-FSJBWODESA-N 443.297 4.479 50 40 IIGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408610190 MQLOBASAJMUCOG-YSURURNPSA-N 442.730 4.202 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 408792365 AVSCKNXCPYQTJJ-LFIBNONCSA-N 428.872 4.226 50 40 IIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCC(=O)O 409067219 BZFRYWBBPISQKB-GZTJUZNOSA-N 440.883 4.476 50 40 IIGB CC(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)cc1 2310469 WDWSVLFQVZIRLS-UFWORHAWSA-N 444.123 4.457 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1 9981126 ZYUHDXBUFCCWOU-HYARGMPZSA-N 428.488 4.495 50 40 IIGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)c(C)c1 13806608 QOULSVGXIKMHAQ-XMHGGMMESA-N 442.519 4.378 50 40 IIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1 101675801 ZWCHZAWDRBJGOO-BASWHVEKSA-N 441.274 4.465 50 40 IIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408534717 WNQFAUXGLZTTDY-OPEKNORGSA-N 432.358 4.436 50 40 IIGB CCOc1cc(/C=N\NC(=O)CCc2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 408718674 SSPSWYDFAYPIBP-IMRQLAEWSA-N 446.503 4.396 50 40 IIGB Cc1cc(NC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)ccc1Br 408852695 HQOSUNJVOBFCPF-ZBKNUEDVSA-N 440.681 4.030 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1 408884412 XAIKYPNGTNKELR-NBVRZTHBSA-N 436.464 4.448 50 40 IIGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 408900901 YUSYHDWCYMZZQS-KOEQRZSOSA-N 430.485 4.371 50 40 IIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1 409141744 WOIVMSZZDOZMFV-PTZPRWATSA-N 428.554 4.346 50 40 IIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409267752 OWYJINHTLDRGFT-YUMHPJSZSA-N 445.519 4.484 50 40 IIGB Cc1ccccc1N1C(=O)[C@@H](Cc2cc(Cl)ccc2Cl)S/C1=C(/C#N)C(N)=O 1454249 NEZWZPHIGXGPQF-LCJWNIEWSA-N 432.332 4.213 50 40 IIGB O=C(CCc1ccccc1)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9662854 MKSIYPDDKBAADK-UHFFFAOYSA-N 430.533 4.249 50 40 IIGB CCOc1cc(C(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)cc(OCC)c1OCC 13097078 VFWJPFRDNRPWLF-JQAMDZJQSA-N 446.372 4.342 50 40 IIGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)NCc1ccco1 14166089 PYRKTOYPLVHEAQ-OPEKNORGSA-N 446.290 4.046 50 40 IIGB O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 97961172 QGVQZYICHXCZGR-UHFFFAOYSA-N 435.760 4.061 50 40 IIGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)c1 108033644 JGJAMPSVBVVVEV-RWPZCVJISA-N 438.487 4.342 50 40 IIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408721877 AVFIUGDOSNSBBA-AUEPDCJTSA-N 433.247 4.481 50 40 IIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I 408792825 CKRQIGDUQFEWCF-LFIBNONCSA-N 442.256 4.157 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OC 408886419 GZMZVXOCKMWTNU-UFFVCSGVSA-N 441.709 4.282 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1ccc(C)cc1 408889391 FZAWYRWJFOSPBU-CVKSISIWSA-N 432.476 4.304 50 40 IIGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1 409148124 XIHPTQBGKJKQIJ-ZDUSSCGKSA-N 446.326 4.061 50 40 IIGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1 409263227 BEWZTIQXGUUJQO-WWINXXQNSA-N 445.494 4.216 50 40 IIGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 4150880 YEMWPEDPNVILEN-FBCYGCLPSA-N 447.072 4.193 50 40 IIGB CCOC(=O)c1cccc(N2CSC3=C(C#N)[C@H](c4cccc(OC)c4)CC(=O)N3C2)c1 9408632 QMKKNGGVFJNAIF-FQEVSTJZSA-N 449.532 4.091 50 40 IIGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12536297 HVHFIWQANPKINW-UHFFFAOYSA-N 435.427 4.263 50 40 IIGB O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O)c1cccs1 20494645 MNFJTFAEZFTGKX-SRZZPIQSSA-N 444.310 4.232 50 40 IIGB O=C(CSCc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28213545 ZWOFRCHPVMNRGG-MFKUBSTISA-N 433.533 4.088 50 40 IIGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(Br)cc2)c(Br)c1 30900878 MVSMSXSJAYIWSE-UKWGHVSLSA-N 440.135 4.358 50 40 IIGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1cccnc1 32576844 WFJPLSOJBQTSDQ-MXAYSNPKSA-N 435.940 4.375 50 40 IIGB O=C(O)c1ccc([N+](=O)[O-])c2c1NC[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 245231533 FGRUSOUYEDNLRK-CHKZYTGQSA-N 449.872 4.499 50 40 IIGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 408875856 LNMABQZVPQKKLQ-UHFFFAOYSA-N 431.533 4.238 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 409047148 NAKIRHHQEOKMOW-XDJHFCHBSA-N 427.460 4.258 50 40 IIGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 8398989 IJJJPLHBKPEALM-UHFFFAOYSA-N 445.928 4.133 50 40 IIGB CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1OC 12275355 LVSKWWWYXKDXDP-HOYKHHGWSA-N 436.533 4.046 50 40 IIGB Cc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O 19954826 WJIXIXHSGAOKBF-WGOQTCKBSA-N 445.544 4.218 50 40 IIGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c1 2398277 FXIMRMXSVSAKAZ-XDJHFCHBSA-N 428.492 4.023 50 40 IIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])sc2c1CCCC2 6228288 URBQZNCOEFZWNK-KAMYIIQDSA-N 425.466 4.257 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 12361990 VMBWUXZEYGSIHA-PDGQHHTCSA-N 448.320 4.208 50 40 IIGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1ccc(Br)cc1 20238281 GZMZLBSUVYCSPQ-MRXNPFEDSA-N 430.327 4.257 50 40 IIGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 408888379 ZJTNYRMXXHKMCW-MDWZMJQESA-N 446.257 4.310 50 40 IIGB Cc1cccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(N)=O)c1 33901156 HZAKGCXFOADDSE-LCJWNIEWSA-N 432.332 4.213 50 40 IIGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccc(C)cc2)cc1 408708364 PLTJSAPQOWIEIW-JFLMPSFJSA-N 434.927 4.467 50 40 IIGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2)cc1 408921839 CJGIWZLAOXXQFQ-XMHGGMMESA-N 448.500 4.317 50 40 IIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Br)c1 408990635 XSMBQOKBPQOTKV-QPEQYQDCSA-N 449.688 4.420 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2368619 YKWYDEKXCATPLR-SWEXZPIWSA-N 432.332 4.166 50 40 IIGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 58913784 PYOMJRHVQYCYNP-AFUMVMLFSA-N 438.915 4.235 50 40 IIGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1F 108988610 NSXNWPIICLNXQM-MXAYSNPKSA-N 425.847 4.261 50 40 IIGB Cc1c(Cl)ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1C 1926741 QWOAHWFJAHALRD-GFCCVEGCSA-N 445.730 4.257 50 40 IIGB C[C@@H](NC(=O)/C(C#N)=C\c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 33412989 IEYZYQOOHGHJSU-TVJQZGFISA-N 444.560 4.431 50 40 IIGB Cc1cc(N2CCN(CCP(=O)(c3ccccc3)c3ccccc3)CC2)nc(C(C)C)n1 103240724 KRHLILYUMLWNBI-UHFFFAOYSA-N 448.551 4.045 50 40 IIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)c1C 408790505 WPHPBAMXOYRCIJ-OVCLIPMQSA-N 429.270 4.075 50 40 IIGB COCCCNC(=O)/C(C#N)=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408862021 WKVHLTJNXBCDOY-HMMYKYKNSA-N 445.475 4.387 50 40 IIGB Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccccc2)n1 409083491 AZCVDZGXXYPCRO-XNTDXEJSSA-N 433.449 4.096 50 40 IIGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1cc(Br)ccc1O 1949966 NDBFJCPGDVMFJK-SRZZPIQSSA-N 425.710 4.426 50 40 IIGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1C 2396531 CSQPQZYRBSEHIL-ODENVGOISA-N 425.941 4.129 50 40 IIGB COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C(F)(F)F)ccc2Cl)c1C 2644038 VQDUKODWNSTEBU-OQLLNIDSSA-N 425.838 4.436 50 40 IIGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)c(OCC)c2)cc1 20197368 VKJOTCUISXQLOP-LPYMAVHISA-N 435.318 4.409 50 40 IIGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240431 FWOLCUYBUQYMPV-MTDXEUNCSA-N 446.982 4.422 50 40 IIGB O=C1[C@H]2[C@H](C(=O)N1c1cccc3ccccc13)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 102646344 BQNREEHJXWJQDJ-RZRDZNJRSA-N 449.142 4.122 50 40 IIGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(OCC)ccc2ccccc12 408906024 AFSATDTZMLCIIE-KDPMPHTCSA-N 433.508 4.046 50 40 IIGB COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1OC 704816 LZINRWRGQYQKJQ-PMFZIYJTSA-N 434.492 4.200 50 40 IIGB COc1cccc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)c1 1091815 CFTIQGSLWISHDZ-LSHDLFTRSA-N 447.720 4.120 50 40 IIGB CCn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 1244785 ICBKGOLHYDDNSY-WYMPLXKRSA-N 438.944 4.342 50 40 IIGB O=C(CCCCCCCC(=O)NN=Cc1ccc(F)cc1)NN=Cc1ccc(F)cc1 8756561 SKQXMIOQPVFZRS-UHFFFAOYSA-N 428.483 4.296 50 40 IIGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)ccc1O 9693239 MBJCOWLNFSCAEY-MRXNPFEDSA-N 427.913 4.274 50 40 IIGB O=C(NNc1ccccc1)c1cc2cc(Br)cc(Br)c2oc1=O 16490239 XYWKZTXMKQRNBP-UHFFFAOYSA-N 438.075 4.075 50 40 IIGB CCOc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 408711861 NZZNHUWONXIVBF-XYGWBWBKSA-N 433.464 4.265 50 40 IIGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408875079 CRGFIRBZHWAYOJ-LFYBBSHMSA-N 438.652 4.499 50 40 IIGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(N2CCCCC2)o1 408997654 SFMRYOBHQWTUTE-CIAFOILYSA-N 436.375 4.416 50 40 IIGB Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CCC2 1426858 DUPPECXHXKCGTH-XMMPIXPASA-N 430.895 4.060 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 2360410 BXOOKFRKRJWVNI-GOSISDBHSA-N 428.275 4.323 50 40 IIGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 8781357 YUYGFAIIISRPGB-FSJBWODESA-N 441.329 4.083 50 40 IIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCCCC2)c(C)n1-c1cccc(Cl)c1 9848863 IQIGNXHSLXMVHW-XDHOZWIPSA-N 425.916 4.210 50 40 IIGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O 20212697 CYSKVMYXHQCNDQ-UHFFFAOYSA-N 427.998 4.123 50 40 IIGB COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247102 CWKMHDQWCINFOK-OTUOEDBFSA-N 445.544 4.233 50 40 IIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408570556 WUCOAOPUKHWABA-KEBDBYFISA-N 437.930 4.256 50 40 IIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)O)c(Br)c1 408746295 YHIYEUDICPUDBI-MLPAPPSSSA-N 449.688 4.420 50 40 IIGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccccc1 408780675 HPNQDFOHJWKAFQ-UHFFFAOYSA-N 433.961 4.280 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1 408802309 YYBQOSSYINSBRI-TUINPFLGSA-N 447.535 4.315 50 40 IIGB Cc1cc(C)cc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 408857295 UCLYCDBYENCZPS-ROTLSHHCSA-N 448.479 4.263 50 40 IIGB O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C\c1ccccc1 32119773 YHXWCELILCTLHQ-ZBKNUEDVSA-N 445.542 4.427 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)o2)ccc1Cl 108013615 WPDJAULNGKMDOX-JJFYIABZSA-N 427.800 4.059 50 40 IIGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/C=C/c2ccccc2)c2ccccc2)cc1 408982866 ZNLXAYMKUSDPAT-BBVRANTPSA-N 447.560 4.220 50 40 IIGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1cc2cc(Cl)ccc2o1 409023220 YNGKUWTZNLWREN-GXHLCREISA-N 438.621 4.226 50 40 IIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccc(Br)cc1 409101832 ZBNUHXYLMAWFFK-QINSGFPZSA-N 436.265 4.484 50 40 IIGB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4cccnc4)C(=O)C(C#N)=C3C)o2)cc1 16753095 CMZVOWPYWOOZQW-UUYOSTAYSA-N 437.455 4.337 50 40 IIGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC/C(=N\NC(=O)CCC(=O)O)[C@@]4(C)CC[C@@H]32)C1 20310447 LHOJGUMNTSJVCF-HYWQDZPJSA-N 446.588 4.298 50 40 IIGB O=C1c2ccccc2C(=O)N1Cc1ccccc1P(=O)(c1ccccc1)c1ccccc1 33353987 WKCWCAAKSNXENT-UHFFFAOYSA-N 437.435 4.122 50 40 IIGB O=C(N/N=C\c1cc(Br)ccc1O)c1cc2cc(Br)ccc2o1 83329032 NTIDLBWQATXVIW-UWVJOHFNSA-N 438.075 4.427 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1O 109794019 WNMGOODYJSBDGX-FSJBWODESA-N 443.297 4.479 50 40 IIGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 409242509 VJDVTWHLUZVSBU-AUWJEWJLSA-N 434.279 4.073 50 40 IIGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 26842326 VIMIKSIFMGVXLO-JQIJEIRASA-N 435.443 4.436 50 40 IIGB O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 46085023 KQSMNOYJXNPOAL-WCTVFOPTSA-N 435.483 4.286 50 40 IIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2C)cc1 58912954 ZVMRXYQBJPDSIR-AFUMVMLFSA-N 438.915 4.235 50 40 IIGB N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)O)c1 408542429 LMSVIKFNSDMNMB-ODLFYWEKSA-N 443.415 4.418 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408742770 PVHVELPSQGCTSW-QPEQYQDCSA-N 449.688 4.200 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc2c(c1)OCO2 408772619 DQVHMEVFFIECHU-SOFYXZRVSA-N 428.872 4.088 50 40 IIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)cc1 408813456 QVROHEUNBIINKR-HMAPJEAMSA-N 443.503 4.113 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1F 1106482 SYTWHAHOZYYKQD-OVCLIPMQSA-N 433.277 4.171 50 40 IIGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(Cl)c4)CC(=O)N32)cc1 12275760 ASBJIUNFQBPUFX-GCJKJVERSA-N 426.925 4.382 50 40 IIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 17209552 UJYZSHHKWRAIRU-QGZVFWFLSA-N 437.843 4.255 50 40 IIGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 58914666 OZQKXZOCEVLQRU-KSEXSDGBSA-N 432.263 4.351 50 40 IIGB CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 107763854 IHBXZSKIZDZXGL-UCQKPKSFSA-N 434.477 4.468 50 40 IIGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCC(=O)O 108104157 RVXAOZKKVQLBKJ-CHHVJCJISA-N 446.253 4.074 50 40 IIGB O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408641856 DEBWYBGVAKKGMS-KDOFPFPSSA-N 438.282 4.256 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1cccc2ccccc12 409393703 ZCQRMDGZHATFIH-AFUMVMLFSA-N 436.309 4.177 50 40 IIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 979613 BSTOBUXLHRFWJH-DHRITJCHSA-N 449.463 4.429 50 40 IIGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1 985871 QUUABXLNZPWOSE-HXUWFJFHSA-N 428.492 4.280 50 40 IIGB COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1O 28217675 KPBRISFDPNAGAK-DNTJNYDQSA-N 443.750 4.200 50 40 IIGB O=C(N/N=C/c1cccc2ccccc12)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218251 GEFDXQDPHZVHRG-OGLMXYFKSA-N 432.483 4.362 50 40 IIGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccccc1-n1cccc1 59302860 BVQYNNWFEOOXNV-HYARGMPZSA-N 427.302 4.197 50 40 IIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Br)c2)cc1 408720321 YUODNIXEOMXNOZ-LPYMAVHISA-N 434.359 4.181 50 40 IIGB CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408788431 KAOSNGSSCZHQSI-MHWRWJLKSA-N 431.414 4.154 50 40 IIGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2)cc1 409213494 PFFBWQVWHVUGQZ-QNGOZBTKSA-N 439.471 4.336 50 40 IIGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(CCCC)cc1 2801983 VLKXSVYEULELAQ-BUVRLJJBSA-N 443.341 4.333 50 40 IIGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)Cc1ccc(Cl)c(Cl)c1 3430705 RUJYMORLYPXZDA-UHFFFAOYSA-N 429.303 4.429 50 40 IIGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 4482270 SPKYRIZXSUEJNV-UHFFFAOYSA-N 427.570 4.094 50 40 IIGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccc(O)c1 9272243 FQDADYCENFBZBU-DEDYPNTBSA-N 430.580 4.169 50 40 IIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)cc1 20760186 UINSNCLVYUGNFY-WSDLNYQXSA-N 427.254 4.260 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 33663801 WVDUKRIHZGJLKS-GDNBJRDFSA-N 432.392 4.042 50 40 IIGB O=C(N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21)c1ccccc1Cl 46085157 QJCADZYLBGRBRV-ROMGYVFFSA-N 433.895 4.290 50 40 IIGB Cc1ccccc1/C=N/NC(=O)c1nn(Cc2ccc(Cl)cc2)cc1Br 1087033 GCHPFKPDLBWDPU-LSHDLFTRSA-N 431.721 4.420 50 40 IIGB O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1ccc(Br)cc1 3091162 YKKXNOHPSRNMPG-DNTJNYDQSA-N 445.542 4.427 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 9462221 DVHPDINBWNKYTG-GOSISDBHSA-N 439.302 4.125 50 40 IIGB CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OCC)cc2)cc1 12275545 SDUQAECVSDKVLN-YKSBVNFPSA-N 436.533 4.127 50 40 IIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1 16023168 PNLFVBAKFZMYJQ-UDWIEESQSA-N 429.476 4.055 50 40 IIGB Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3Cl)c3ccccc3C2=O)c(C)c1 38174613 QIXVVPGXYSFOPA-XSFVSMFZSA-N 445.906 4.419 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OC 408763017 DHNIITYIPRIWMV-ZSOIEALJSA-N 429.270 4.215 50 40 IIGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)C(C)(C)C 408786348 HYWVMYCNYIGJKT-XQNSMLJCSA-N 435.977 4.382 50 40 IIGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1cccc2ccccc12 408889701 FXSWJRUMCHDBMP-KOEQRZSOSA-N 430.485 4.371 50 40 IIGB COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(OC)c1 704622 FRSZDEKUTBYYIR-AFUMVMLFSA-N 437.883 4.373 50 40 IIGB Cc1ccc(N2NC(=O)/C(=C\c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1C 868353 BYFPTGJYERUAIC-XSFVSMFZSA-N 432.351 4.049 50 40 IIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1F 2322986 RMCKVEBMNBMUHK-KRWDZBQOSA-N 443.272 4.370 50 40 IIGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2sc3cccc(Cl)c3c2Cl)[C@@H](C(=O)O)C1 2801832 XKEWDAHNDGQHFJ-MNOVXSKESA-N 441.336 4.416 50 40 IIGB C/C(=N/NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(F)cc2)cc1)c1ccc(F)cc1 4100916 UTSUFYKFYRGTHZ-XFPKHNAPSA-N 434.446 4.273 50 40 IIGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)cc1Cl 9088928 GLNSLSXTDXNMMJ-AWEZNQCLSA-N 445.903 4.198 50 40 IIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)cc1 10118491 IWGCQHASKFPMQH-CIAFOILYSA-N 430.245 4.217 50 40 IIGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3)=C2C#N)cc1Cl 409313891 DOTHRWKMBDHRLQ-INIZCTEOSA-N 441.940 4.368 50 40 IIGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccncc1 1798535 GDPQPRBCRSCOPA-AWQFTUOYSA-N 435.987 4.121 50 40 IIGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)COc3cccc(C)c3)c2)cc1 3139569 DGNFYJKBZFVZFA-TZOCXZALSA-N 444.487 4.152 50 40 IIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(F)cc2)c1C 408692305 JMIVCVBFKLIUSW-RPPGKUMJSA-N 428.895 4.457 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(OC)c2)cc1 408791613 ZNUCTHBPURTVJU-MHWRWJLKSA-N 440.297 4.468 50 40 IIGB O=C(N/N=C/c1cccc(Br)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409007625 YIWOQZVRRVMMGJ-YDZHTSKRSA-N 448.748 4.105 50 40 IIGB COc1cccc(CC(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409009379 DZQLHSGQBFOKEI-YUMHPJSZSA-N 445.519 4.022 50 40 IIGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(COc2cccc3cccnc23)cc1 3288044 SVRZMMNVGRMLOP-JFLMPSFJSA-N 425.444 4.276 50 40 IIGB O=C(N/N=C/c1ccsc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 3311461 UOALBDZBYDATSJ-ZMOGYAJESA-N 447.541 4.374 50 40 IIGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCC(=O)Nc1ccccc1 408542627 MQRSBKJMBWKOHH-MOSHPQCFSA-N 428.444 4.475 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c(C#N)c1C 408546023 CNDMGHDXODCSJR-YIXHJXPBSA-N 442.880 4.206 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408789311 IVXREOVRONAZMB-CXUHLZMHSA-N 428.872 4.145 50 40 IIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(OC)c2)cc1 408877363 VJMVRGSWUONTDS-RIYZIHGNSA-N 448.260 4.244 50 40 IIGB Cc1c(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(Cl)nn1-c1ccccc1 408891926 FMBMHMMDMOFJFW-SSDVNMTOSA-N 443.916 4.126 50 40 IIGB O=C(CCl)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 408922741 RSTQZWPKNRTXEC-UHFFFAOYSA-N 427.231 4.337 50 40 IIGB CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 409010642 CSACBMGKEOUJKS-WSDLNYQXSA-N 444.272 4.493 50 40 IIGB Cc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)c2)c1 409226029 SIJUZFHNBALQAP-UHFFFAOYSA-N 441.409 4.341 50 40 IIGB CC[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409236724 GWXHAIKOAXZPBG-OTTIKCOKSA-N 437.309 4.467 50 40 IIGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3)c3ccccc32)o1 409391098 HBYDBHULLCZTQP-BRJLIKDPSA-N 435.867 4.487 50 40 IIGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccn3C)n2C2CCCCC2)cc1 1478228 LRZBPLOATGFZMY-BUVRLJJBSA-N 436.585 4.340 50 40 IIGB CC(C)(C)c1ccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1 3144877 PXBZBSNHMSNIQM-RDRPBHBLSA-N 427.548 4.383 50 40 IIGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)cc1 3307728 ULQTZXBSRGNIRJ-HZHRSRAPSA-N 426.472 4.276 50 40 IIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)c1C 3379018 XGEKHVNDUFEGDE-LICLKQGHSA-N 429.904 4.266 50 40 IIGB CSCc1c(C(=O)NNC(=O)c2ccc(Br)s2)oc2ccccc12 13134905 HOFMMVABBDFBFL-UHFFFAOYSA-N 425.329 4.195 50 40 IIGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408799286 YNZPLCYVRMEWAX-MHWRWJLKSA-N 426.856 4.246 50 40 IIGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1O 408815869 VLVVIVDQTCKABN-YVLHZVERSA-N 427.298 4.115 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1F 408934387 CKWVVVFYTFJAFJ-KKMKTNMSSA-N 446.404 4.341 50 40 IIGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 409259334 YUJJDRGZMUQRDM-IYAOEYEUSA-N 447.922 4.422 50 40 IIGB COc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1210805 MELRHTJVZWGOOW-WGOQTCKBSA-N 426.476 4.077 50 40 IIGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1 1479218 JOACQOWWWVDYMH-AFUMVMLFSA-N 448.939 4.225 50 40 IIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC 13058606 KYZBVXLXOPDBKK-MDWZMJQESA-N 445.269 4.100 50 40 IIGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408566884 IXGIYGHERKYCPV-CVKSISIWSA-N 447.491 4.492 50 40 IIGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408766746 FXPYWQILNLTJML-WGOQTCKBSA-N 449.576 4.266 50 40 IIGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccccc1Cl 408811765 ALQLQTLVLDWXCB-XFXZXTDPSA-N 436.693 4.078 50 40 IIGB Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1C 408829758 XKIVCIUROVJBAV-ROTLSHHCSA-N 448.479 4.263 50 40 IIGB O=C(N[C@@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F 3078646 BRCPSPCFRNXHSB-CQSZACIVSA-N 444.604 4.375 50 40 IIGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccc(C(F)(F)F)cc1 3771034 RLOWUHJUUGIOIZ-UHFFFAOYSA-N 426.704 4.239 50 40 IIGB C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1ccc([N+](=O)[O-])cc1 8721755 KHLFBNHSDDGKQW-LPYMAVHISA-N 442.269 4.430 50 40 IIGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 10475977 AQQYSTQQUNNTHT-OGLMXYFKSA-N 443.503 4.237 50 40 IIGB CCOC(=O)[C@H](CCCCCCP(=O)(c1ccccc1)c1ccccc1)NC(C)=O 17596002 YRGXASRXOBRWJO-QHCPKHFHSA-N 429.497 4.019 50 40 IIGB CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC)c(OCC)c2)cc1 20763916 IPAZSTUUQCBYPR-LPYMAVHISA-N 435.318 4.409 50 40 IIGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408794281 RUNXCBRIVDJIEA-LZYBPNLTSA-N 428.872 4.063 50 40 IIGB N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)c(F)c1 408966674 MXVVUCXUFCATBH-UVHMKAGCSA-N 441.422 4.372 50 40 IIGB Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 409204681 JJGPOOYJKGWGKM-HUHXJTTESA-N 435.871 4.413 50 40 IIGB COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Br)s2)C(C#N)=C(N)O3)cc1 8382635 ALELGYXHMSIJQD-CQSZACIVSA-N 429.299 4.127 50 40 IIGB COc1ccc(OC)c([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)c1 12276040 ZABQWNSAWBCAIL-OPAMFIHVSA-N 442.924 4.000 50 40 IIGB CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br 408968328 VMFLBVXWZGLYGS-FOKLQQMPSA-N 434.265 4.021 50 40 IIGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(Br)c1 1437782 ISEWMRGHAPFWPV-AWQFTUOYSA-N 429.101 4.235 50 40 IIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1Cl 12555966 UTISWWITHLXPOA-XYOKQWHBSA-N 438.652 4.499 50 40 IIGB O=C(N/N=C\c1cccc2ccccc12)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 14923849 DWFBNVKMSCQHJE-WLUWMFIVSA-N 435.483 4.467 50 40 IIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 16322149 CGHNXZMOEAYPEL-AUXCUJNGSA-N 441.734 4.462 50 40 IIGB COc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1Oc1nc(Cl)ncc1F 32109576 JRSVOHRYOZWTAP-OPVMPGTRSA-N 435.242 4.487 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38658304 SWIPCNUWIQOFEI-XMMPIXPASA-N 442.471 4.450 50 40 IIGB O=C1[C@H]2[C@H](C(=O)N1c1ccc3ccccc3c1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 101509753 WKKXVOBOSZBQMM-KWRZAIAESA-N 449.142 4.122 50 40 IIGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408611637 RJQDTAZCNVKAMQ-YSURURNPSA-N 442.730 4.202 50 40 IIGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 408612451 VLVYBWHEEGNBGD-YZSQISJMSA-N 431.492 4.143 50 40 IIGB O=C(NCc1cccs1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708292 OUEJRRWGYNPOST-BHGWPJFGSA-N 430.892 4.051 50 40 IIGB O=C(N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)C(=O)Nc1cccc(F)c1 408708455 QHYPZSNYUUVWAI-BRJLIKDPSA-N 428.826 4.451 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OC(C)=O 408761967 IULFJVKMIPZOFO-UFFVCSGVSA-N 439.693 4.190 50 40 IIGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ccccc3)cc2)cc1 408776794 ZEZXLWRBNVXCSN-MFKUBSTISA-N 433.533 4.255 50 40 IIGB COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792475 AGBQHHUABDBEJQ-RCCKNPSSSA-N 442.471 4.363 50 40 IIGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@H]1c1ccccc1 409318112 XGPCDNMWTDRWLY-INIZCTEOSA-N 431.439 4.416 50 40 IIGB COc1ccc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1 6190703 PHKSEWZBJCNCMK-MJHSOURCSA-N 443.547 4.118 50 40 IIGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccc(C)cc1 30843705 AYCMVEWGLQCRBM-DICXZTSXSA-N 446.503 4.369 50 40 IIGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1 408880894 JBLLUZUHTSFZRH-AFUMVMLFSA-N 438.867 4.340 50 40 IIGB COc1cccc(/C=N\NC(=O)c2cc3ccccc3o2)c1OCc1cccc(C(=O)O)c1 408939177 ICENCCBOGYXUGQ-WGARJPEWSA-N 444.443 4.483 50 40 IIGB COc1ccc(SCC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 408954597 TYIQBIIJPMVFPF-IDUWFGFVSA-N 448.136 4.056 50 40 IIGB C[C@H]1CCc2c(sc3ncnc(SCC(=O)NNC(=O)c4ccc(Cl)cc4)c23)C1 874285 ZAJAQSYDMVOMBR-NSHDSACASA-N 446.985 4.023 50 40 IIGB CC(C)c1ccc(/C=C/c2cc(C(=O)NNC(=O)NC3CCCCC3)nc(S)n2)cc1 5722676 SSJPAPHDBGNZKD-JLHYYAGUSA-N 439.585 4.336 50 40 IIGB CCCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 8440285 QHSXTJMUCBVYHE-AQUOVQTQSA-N 446.021 4.198 50 40 IIGB COc1ccc(CC(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1OC 9289531 FZYJPIZBBWBCSA-CVKSISIWSA-N 438.911 4.346 50 40 IIGB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1 100838348 DOVINSCBFGBIAD-RELWKKBWSA-N 437.546 4.185 50 40 IIGB Cc1cc(O[C@H](C)C(=O)NN=Cc2ccc(O)c(Br)c2)cc(C)c1Cl 245242015 WSEGXTFLSHGUEN-GFCCVEGCSA-N 425.710 4.343 50 40 IIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)OC 408792214 JQEBCIFSZVFONL-VGOFMYFVSA-N 449.290 4.490 50 40 IIGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 408882621 RGWBDUXVWOBDEM-NBVRZTHBSA-N 442.427 4.158 50 40 IIGB COc1cc(Br)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408963064 MDPWZSQCYSXBBK-LSFURLLWSA-N 431.208 4.249 50 40 IIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CC3(C)SCCS3)o2)ccc1Cl 409364056 MYDUICIDVPVIIP-SRZZPIQSSA-N 438.958 4.423 50 40 IIGB Cc1ccc(-c2ccc([C@H]3NC(=O)C(C#N)=C(S)N3c3ccccc3)o2)c([N+](=O)[O-])c1 2327395 OHFZORWKYVOIDG-FQEVSTJZSA-N 432.461 4.463 50 40 IIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 59473217 QOHQDMBANYDUOB-VIFPVBQESA-N 438.734 4.056 50 40 IIGB Cc1ccccc1OCCN1C(N)=C(C#N)[C@@]2(C(=O)Nc3ccccc32)C2=C1CCCC2 226760581 GONHUQNLOHKNGU-SANMLTNESA-N 426.520 4.102 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408780917 NESXQXIVHFUTFM-XQNSMLJCSA-N 435.977 4.382 50 40 IIGB COc1ccccc1OCC(=O)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409232213 OZTZIUJQBYFFEK-JFLMPSFJSA-N 431.467 4.366 50 40 IIGB CCOc1ccccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408648841 KIECBTIZHJYKJC-OXQOHEQNSA-N 447.890 4.001 50 40 IIGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 408768857 KKEQKBZCQAEQSD-AFUMVMLFSA-N 437.883 4.130 50 40 IIGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccccc1C#N 409197869 QPKKKJUEMRFAEY-BGEOKWEGSA-N 438.487 4.293 50 40 IIGB C=C(C)C(=O)OCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 3066076 YLPVSXMRZIDQMI-RVDMUPIBSA-N 430.254 4.279 50 40 IIGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 13567707 QTYONMXRCFQMBS-XMMPIXPASA-N 430.895 4.060 50 40 IIGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC)c(OC)c2)cc1 20197327 DWCWANPZOISZDJ-LPYMAVHISA-N 435.318 4.409 50 40 IIGB CCOC(=O)C(=O)/C(C#N)=C/Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 100926369 DCBHYAFHKXXTBY-PKNBQFBNSA-N 439.777 4.498 50 40 IIGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 408789185 HLFCXIKXINLRDL-JJIBRWJFSA-N 441.940 4.076 50 40 IIGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 408829284 OYNQRTKXDFMHON-UHFFFAOYSA-N 443.569 4.025 50 40 IIGB N#C/C(=C\c1cc(Br)c(I)o1)C(=O)Nc1ccccc1 9323017 GRPAXOYTRBUWER-RMKNXTFCSA-N 443.038 4.192 50 40 IIGB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN12 13777057 PKQDFEFGKHIRFZ-ACRUOGEOSA-N 426.472 4.074 50 40 IIGB CCOc1ccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1OC 20238076 NKEPSBREXLPPTG-IBGZPJMESA-N 435.549 4.309 50 40 IIGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33571867 DIECVFNWMVHPTN-MSXFZWOLSA-N 437.521 4.202 50 40 IIGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)cc1 409226955 WPTYFLPZDISDSS-XMHGGMMESA-N 427.460 4.264 50 40 IIGB O=C(N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)OCCO2 1435367 OPZFBMPSCVBRQU-AFUMVMLFSA-N 436.851 4.094 50 40 IIGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1c(F)cccc1Cl 107664299 UTTXYUXTRTYCSU-BPDXMKQKSA-N 449.910 4.039 50 40 IIGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 211017147 VXKKKIVVPONYRQ-LHLOQNFPSA-N 449.576 4.391 50 40 IIGB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)c1 408680732 DUQWRIFEXITYEX-YRYYUTHUSA-N 442.309 4.297 50 40 IIGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OC(=O)c2ccccc2F)c1 408958630 ZNSLBKQLWLOCDW-DHRITJCHSA-N 448.479 4.164 50 40 IIGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCc1cccc(C(=O)O)c1 409188064 FPEWTAVGLHXLPC-DHRITJCHSA-N 438.867 4.390 50 40 IIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OCC)c2)cc1OC 409324590 UIKLBBGLPYESDY-OYKKKHCWSA-N 432.904 4.475 50 40 IIGB COc1cccc(NCC(=O)NNC(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)c1 1182218549 DQOUQILFKJJSQZ-UHFFFAOYSA-N 442.519 4.036 50 40 IIGB Cc1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c([N+](=O)[O-])c1 9194058 NKVUVCRHKXSLMK-VULFUBBASA-N 442.475 4.435 50 40 IIGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 9543292 VSJCYDUREKWGEH-GOSISDBHSA-N 439.302 4.125 50 40 IIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C 10233001 FKJWXCBLDNXUCK-RCCKNPSSSA-N 449.498 4.283 50 40 IIGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 35251116 OTTBNVRHMPOBAU-XYGWBWBKSA-N 433.464 4.265 50 40 IIGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)C1 101156100 WPEGIKVPRLCTMH-ROZAGXGHSA-N 430.552 4.025 50 40 IIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O 408895581 NJFCJZMVJWCVNV-GXDHUFHOSA-N 427.254 4.258 50 40 IIGB O=C(Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-])c1ccco1 409227797 WZCKETUXUSBHJX-YVNNLAQVSA-N 448.218 4.478 50 40 IIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccccc1 2397762 BFFWIKGOAVAQPS-JOCHJYFZSA-N 430.460 4.144 50 40 IIGB Cn1cnnc1SCc1ccc(C(=O)NN=C2c3ccccc3-c3ccccc32)cc1 3240058 RJSNQGHYKIPULE-UHFFFAOYSA-N 425.517 4.270 50 40 IIGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NC[C@H]1CCCO1 9553447 YZTBQLOLWFCIRH-WAGPWIPHSA-N 441.325 4.230 50 40 IIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 9631370 UVPXZJCBIHUOAP-AICVFHCHSA-N 446.551 4.409 50 40 IIGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccc3c(c2)OCO3)=N\Nc2ccccc2)s1 17215499 YJIYIZVSNDWVOT-OBWZITBQSA-N 435.509 4.173 50 40 IIGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)cn1 33295698 YCEOZSNBBJEZJE-CFRMEGHHSA-N 438.281 4.136 50 40 IIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38658300 KGDSBGRLQCTURE-XMMPIXPASA-N 442.471 4.450 50 40 IIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408791793 COZWJVNUDNKCBB-MDWZMJQESA-N 449.688 4.200 50 40 IIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409360835 FYSFLSDMKPOTCX-DHRITJCHSA-N 438.871 4.389 50 40 IIGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CCC3)cc1OC 2179310 WMRMMTAOYOBLBP-XMMPIXPASA-N 442.519 4.387 50 40 IIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 3116491 JVTXGUQMWTYVNQ-DHRITJCHSA-N 426.831 4.227 50 40 IIGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccco1 20348563 IJQGUAFWEVMHAA-JOCHJYFZSA-N 449.532 4.385 50 40 IIGB COc1cccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1OCC(=O)Nc1ccccc1 408541143 DZLLGHBXVZFPGP-ZHZULCJRSA-N 428.444 4.475 50 40 IIGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1C 408707173 HRFKQTBZOKWCMK-ZMOGYAJESA-N 445.361 4.176 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1 409134776 PUXPHXQVISAYMF-QHCPKHFHSA-N 433.483 4.143 50 40 IIGB CCOc1ccc(/C(CC)=N/NC(=O)[C@@]2(C)CC2(Br)Br)cc1 8399643 NHNWHZHUSNSMAD-DQPIFXJKSA-N 432.156 4.212 50 40 IIGB COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)ccc1OCc1ccc([N+](=O)[O-])cc1 8721805 JRIBIGDXUCZFAR-CZXKLTGWSA-N 437.496 4.459 50 40 IIGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)ccc1OCc1ccc(Cl)cc1 18266073 LBQFSQYUNNMEMK-NRFANRHFSA-N 449.894 4.143 50 40 IIGB COc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCc1ccccc1C#N 32193927 XILGAMRLUKBUDN-VYYCAZPPSA-N 449.894 4.328 50 40 IIGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 58912950 NTSLFIVSSCFABH-WYMPLXKRSA-N 429.307 4.490 50 40 IIGB CCCC/C(C)=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 59435867 HOBRHVIHUPRHJR-HAVVHWLPSA-N 435.977 4.213 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)cc2)c(C(=O)OCC)c1C 408546531 KUHRSXSEVMLVRJ-LFIBNONCSA-N 441.505 4.137 50 40 IIGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Cl)cc1Cl 408602525 CGNWQZBHISAVIT-MRXNPFEDSA-N 436.368 4.247 50 40 IIGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409341080 CLBIKAHDASXNLD-SSDVNMTOSA-N 443.257 4.180 50 40 IIGB CCCC1=C(C(=O)OCC)[C@@H](c2c(C)nn(-c3ccccc3)c2Cl)C(C#N)=C(N)O1 808803 JOMPOPOEVBEWNN-GOSISDBHSA-N 426.904 4.259 50 40 IIGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N32)cc1OC 12275070 IXMXYLCKEBRLOB-ZHRRBRCNSA-N 442.924 4.000 50 40 IIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccccc1 59535794 AIVFCDGSONIMJV-NBVRZTHBSA-N 434.473 4.009 50 40 IIGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1cccc(Cl)c1Cl 408869887 SKWLERKYOMUNKI-YSURURNPSA-N 434.352 4.433 50 40 IIGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccccc1Cl 408992465 AABUCQXCEXUPFU-WSDLNYQXSA-N 434.949 4.478 50 40 IIGB O=C(COc1cccc(Cl)c1)N/N=C\c1cccn1-c1cccc(Br)c1 409010343 JXQOTIJKTXQILV-UUYOSTAYSA-N 432.705 4.422 50 40 IIGB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Br)[C@H](Br)c1ccccc1 1801222 BQTQWRLEIGQTFB-KGLIPLIRSA-N 428.080 4.433 50 40 IIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cncc(Br)c3)o2)cc1 2330395 JBZPKMIVMICUKG-FSJBWODESA-N 442.269 4.045 50 40 IIGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 8400438 JWMGIIIMPAQNFY-UHFFFAOYSA-N 429.520 4.264 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OC(C)C 8721769 CXHCEAQREUFCTB-AUEPDCJTSA-N 434.265 4.020 50 40 IIGB O=C(COc1ccccc1Cl)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 16158223 POAJVERODXVJAX-MXAYSNPKSA-N 438.867 4.146 50 40 IIGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)N1CCN(c2ccccc2)CC1 35190942 BXVPHSUZFRIYKT-BWAHOGKJSA-N 448.526 4.393 50 40 IIGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 59101646 MZBNXBRMHVZTGZ-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(CC#N)c3ccccc23)c(C#N)c1C 408546165 DSQWETSNAUUSJD-MHWRWJLKSA-N 442.500 4.302 50 40 IIGB CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC 408569203 MHWNZCCTYYVSGL-OEAKJJBVSA-N 446.594 4.492 50 40 IIGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c1 408606531 MGNUSJBTVUMVAY-AFUMVMLFSA-N 437.883 4.016 50 40 IIGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc(N2CCCC2)cc1 408677432 QSAMDEODUQKXAT-VXLYETTFSA-N 441.123 4.169 50 40 IIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 408793433 FLFHNRFFRWNEQP-LFIBNONCSA-N 428.872 4.226 50 40 IIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1C#N 409144694 PIYVHOHKKOWIDG-RUZDIDTESA-N 439.471 4.460 50 40 IIGB CCN(CC)c1cc(OC)c(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1Br 409199517 OIVYSTIEVSDVRQ-PTZPRWATSA-N 443.345 4.061 50 40 IIGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2418899 RAHDVYZNABKZNR-JQIJEIRASA-N 448.910 4.496 50 40 IIGB CC(=O)Nc1ccc(/C=N/NC(=O)CSc2cc(C)c(Br)cc2C)cc1 3209893 OBERRECWYMSJNE-UFFVCSGVSA-N 434.359 4.267 50 40 IIGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 9111137 JQYIEPPFJGLXEU-SFHVURJKSA-N 439.302 4.125 50 40 IIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 14134518 IZQXDRDJSHWPDQ-ZMOGYAJESA-N 430.489 4.022 50 40 IIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc(C)c1 59334324 CYJQDWOSENSOKE-MFOYZWKCSA-N 429.314 4.340 50 40 IIGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 59473242 YMYCIAXOINRWDJ-CVKSISIWSA-N 448.544 4.436 50 40 IIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1 408757025 VWELLFOMABBBJK-XDJHFCHBSA-N 448.500 4.317 50 40 IIGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 408890178 PDVQIIBOICOHNH-NBVRZTHBSA-N 436.464 4.448 50 40 IIGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408912568 NXHNGAOBPYKYFL-AUEPDCJTSA-N 433.247 4.481 50 40 IIGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409046114 ITTRJOGEGSGVCY-QGOAFFKASA-N 442.431 4.158 50 40 IIGB CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1I 409238385 ZGNDNFUVBSTDMA-FMNVXAMXSA-N 446.288 4.474 50 40 IIGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)c1C 2412666 ZEDNFJQTIOODFT-XDJHFCHBSA-N 442.519 4.460 50 40 IIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1C 2726917 FTJBCYZRKMQUIH-OPEKNORGSA-N 425.872 4.477 50 40 IIGB Cc1cccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(N)=O)c1 12374286 BRUSDQPLFZPMEQ-FABDANFUSA-N 432.332 4.213 50 40 IIGB C#CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1I 16136174 UGBJEDOZXLBINQ-DHDCSXOGSA-N 430.201 4.276 50 40 IIGB Cc1ccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 32577057 PDCBEYFLZIWSQZ-YSMPRRRNSA-N 442.544 4.245 50 40 IIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 59515652 MJSBHVRKHOVMJE-MZJWZYIUSA-N 441.409 4.373 50 40 IIGB Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)c(C)c1 216039368 ZNHCQIYTYNIAMV-UKWGHVSLSA-N 440.135 4.227 50 40 IIGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408529478 JUZIFFIYBBQOMA-MFKUBSTISA-N 449.463 4.102 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 408765793 ZXYLWCMHIZOTIT-SAPNQHFASA-N 443.415 4.368 50 40 IIGB BrC[C@@H](Br)[C@@H]1CC[C@H](Br)[C@@H](Br)C1 8585920 PQRRSJBLKOPVJV-VGRMVHKJSA-N 427.800 4.472 50 40 IIGB in-vitro N#C/C(=C/c1ccccc1I)C(=O)NCCc1c[nH]c2ccccc12 10128211 NZRAJSXBJRPQQF-WJDWOHSUSA-N 441.272 4.038 50 40 IIGB CCC(=O)NNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C(C)(C)C)C3 13065332 HFBJEXDPZCKMLE-ZDUSSCGKSA-N 446.642 4.369 50 40 IIGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccccc2F)cc1 59401475 TYVFCPLINNKYBC-UHFFFAOYSA-N 431.533 4.156 50 40 IIGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(Nc2ccncc2)c1 72284098 DMKUJXGUDDXUKO-UHFFFAOYSA-N 438.487 4.332 50 40 IIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1 101139476 VYFVIHCIKVPIBQ-MHWRWJLKSA-N 438.867 4.387 50 40 IIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408762639 LOEIHASICTWLOT-XDJHFCHBSA-N 448.500 4.317 50 40 IIGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2)cc1 409005670 JIBVBWHHNWGCQM-ZMOGYAJESA-N 434.323 4.005 50 40 IIGB CC(C)(C)C1CCC(=NNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 409026217 JEMXNTMNBYAAPB-UHFFFAOYSA-N 448.416 4.468 50 40 IIGB O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 409375605 MYXUDGGVRMDWDJ-AFUMVMLFSA-N 444.373 4.401 50 40 IIGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc2ccccc2c1 8398216 WKKXVOBOSZBQMM-FHULIHMCSA-N 449.142 4.122 50 40 IIGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ccccc1[N+](=O)[O-] 59475422 DSRXWLRYZYDHMH-LPYMAVHISA-N 436.380 4.068 50 40 IIGB O=C1c2ccccc2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100946453 DZZQTNZDMHYTEY-UHFFFAOYSA-N 437.479 4.009 50 40 IIGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1cccc2ccccc12 408722809 GOGFMMPRQICBLT-WGOQTCKBSA-N 434.492 4.031 50 40 IIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)c(Br)c2)cc1 408799463 ZEJKJGYPCVKTOO-MHWRWJLKSA-N 443.297 4.109 50 40 IIGB O=C(NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 408840073 AVLVHBORTLURIS-UHFFFAOYSA-N 428.275 4.321 50 40 IIGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408939049 MSLPMXZXFVWWSD-BRJLIKDPSA-N 426.879 4.284 50 40 IIGB CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccccc1C 409016956 ULQCLXQLRWNNOE-JFLMPSFJSA-N 449.482 4.314 50 40 IIGB