smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O 59503571 SYWWLDKTHWJOMD-UHFFFAOYSA-N 352.460 0.959 50 40 FCGB COc1cccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c1OC 1881504 FNHBCZYOEDZQRC-REZTVBANSA-N 372.345 0.322 50 40 FCGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(O)c(O)c1O 3236566 WOMBTCKYHPONEW-CAOOACKPSA-N 354.326 0.607 50 40 FCGB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=S)NCc1ccccc1 102405010 GONOXFRDFVDYHB-ZIAGYGMSSA-N 374.466 0.857 50 40 FCGB O=C1CC[C@H](N2C(=O)c3ccc(CBr)cc3C2=O)C(=O)N1 2171430021 KKYAHCAWCMMYQI-JTQLQIEISA-N 351.156 0.983 50 40 FCGB O=C(CCCc1nc(-c2ccccc2)no1)NNC(=O)C(=O)NC1CC1 8770562 UDCZHKCICQJSLN-UHFFFAOYSA-N 357.370 0.485 50 40 FCGB CCCc1nnc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1 575421614 JFDIEFNSPDTYDN-RNFRBKRXSA-N 354.910 1.181 50 40 FCGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cc(Cl)ccc1O 2541949 HEUCITSLPVVLHA-FZSIALSZSA-N 362.737 0.664 50 40 FCGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 4857014 VUGGAKINSUWOOC-JLHYYAGUSA-N 360.370 0.973 50 40 FCGB Cc1ccc(OCC(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 12987192 KOAVLLUIOLGKRK-CXAGYDPISA-N 363.439 0.975 50 40 FCGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccccc1Br 942532 FNMVMWKGWSPIEI-VIZOYTHASA-N 366.175 0.304 50 40 FCGB NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 58153549 GWZDRJPGAMISDJ-UHFFFAOYSA-N 371.806 0.035 50 40 FCGB O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)C(=O)NCc1ccco1 29551655 KBKKHDFALZOSBJ-UHFFFAOYSA-N 367.365 0.472 50 40 FCGB Cn1nnnc1SCC(=O)NNC(=O)c1ccc(Br)cc1 882825 IVYJAWKIYYUZAU-UHFFFAOYSA-N 371.220 0.526 50 40 FCGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccncc2)cc1 4699605 AQXVLVLNRAEIAB-UHFFFAOYSA-N 353.338 0.370 50 40 FCGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccco1 408529387 CTSFRBTTYMLLRC-UEPRYVPJSA-N 358.354 0.878 50 40 FCGB CC(=O)Nc1ccc(N/N=C2/C(=O)N(CCO)C(=O)C(C#N)=C2C)cc1 101096944 XKXCYERUXJSJBM-RCCKNPSSSA-N 355.354 0.614 50 40 FCGB N#CC1=C(N)Oc2ccccc2[C@]12C(=O)N(CC(N)=O)C1=C2C(=O)CCC1 4517131 UXGQGWMMALMBJB-IBGZPJMESA-N 364.361 0.345 50 40 FCGB C/C(N)=C(\C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1 104678613 QCKXGTZIVBNSDL-QBFSEMIESA-N 351.384 0.142 50 40 FCGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)[C@@H]1CCCO1 32261369 QKHAWKHRUWMXQM-ZBFHGGJFSA-N 357.410 0.855 50 40 FCGB CC(=O)NCCCC(=O)NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 2225875 RXRCBMUXJZDYPX-CYBMUJFWSA-N 366.805 0.509 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/c2ccc(F)cc2)nnn1-c1nonc1N 2394458 TYAMQERZLFVLSJ-CNHKJKLMSA-N 373.352 0.197 50 40 FCGB CC(C)NC(=S)NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5689731 RMXZRIOTTSAULS-UHFFFAOYSA-N 367.431 0.949 50 40 FCGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc2c(c1)COC2=O 13118453 QVAAUWMVCUIBAC-ZHZULCJRSA-N 354.322 0.326 50 40 FCGB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 72281648 BTYYJKBKXQPLKH-JSGCOSHPSA-N 362.430 0.503 50 40 FCGB CN(C)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 12542815 CGUZZKOVGVWJIR-GJZGRUSLSA-N 370.409 0.465 50 40 FCGB O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)NCc2nc3ccccc3[nH]2)C1 575424218 TZAWTKXDIYOOMT-KCJUWKMLSA-N 358.876 0.931 50 40 FCGB CC(C)n1nc(C(=O)NNC(=O)c2ccc[nH]c2=O)c2ccccc2c1=O 12894166 RFYCLTOKNIMSDO-UHFFFAOYSA-N 367.365 0.741 50 40 FCGB Cc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 575424407 ADQPNNSSCDCBHN-NXEZZACHSA-N 367.832 0.376 50 40 FCGB C[C@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1ccc(Br)o1 106151085 UNSDQHIDRAKVHM-DTWKUNHWSA-N 360.208 0.912 50 40 FCGB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NNC(=O)c2cccnc2)no1 15507954 IQEVMYCRCAGRMT-SNVBAGLBSA-N 363.399 0.899 50 40 FCGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc(Br)c1 959206 SLJHDQCDYBSRHC-VIZOYTHASA-N 366.175 0.304 50 40 FCGB Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)c2cccnc2)no1 15507956 IQEVMYCRCAGRMT-JTQLQIEISA-N 363.399 0.899 50 40 FCGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 59960229 AQPXKFMEKZNRFB-KEBDBYFISA-N 370.365 0.648 50 40 FCGB CSCC[C@H](NC(N)=O)C(=O)NNC(=O)COc1cc(C)ccc1C 70695566 KTXLBWJKDUDNHP-LBPRGKRZSA-N 368.459 0.620 50 40 FCGB Cc1ccccc1OCC(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 910929 AMKBFWWXAALRJZ-UHFFFAOYSA-N 367.361 0.817 50 40 FCGB COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1 2355638 PWLRFPIZCJWASO-UHFFFAOYSA-N 373.365 0.869 50 40 FCGB CCC(CC)=NNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)cc1 4416537 MZESWVKHVUTUCW-UHFFFAOYSA-N 368.459 0.682 50 40 FCGB Cc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 575424415 ADQPNNSSCDCBHN-VHSXEESVSA-N 367.832 0.376 50 40 FCGB CC(=O)OC[C@H]1O[C@H](Br)[C@H]2OC(=O)O[C@H]2[C@@H]1OC(C)=O 77284875 AVYSDBUOZIIRBB-ZJDVBMNYSA-N 353.121 0.505 50 40 FCGB in-vitro O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)N[C@@H](Cl)CP(=O)(O)O)cc1 226849528 LGFSKMHJXYFVNI-MXWKQRLJSA-N 354.683 0.321 50 40 FCGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 8271974 FNCIMUVRKKXZNO-UHFFFAOYSA-N 362.363 0.894 50 40 FCGB O=C(COC(=O)CCc1nc(C2CC2)no1)NNC(=O)c1ccccc1 89823038 XWSTVRKSIOOXEW-UHFFFAOYSA-N 358.354 0.884 50 40 FCGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(OC)c1OC 3009242 LBMHDAWXKZYFGL-DKSCHZSNSA-N 365.386 0.458 50 40 FCGB NNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21 33621976 IJJWOSAXNHWBPR-ZOWXZIJZSA-N 371.507 0.379 50 40 FCGB in-vitro C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)COc1ccccc1F)CS2 32971589 QHCNKCCUBKSXBI-BDJLRTHQSA-N 367.402 0.806 50 40 FCGB O=C(N/N=C1/C[C@H](n2cc([N+](=O)[O-])cn2)[C@@H]2CO[C@@H]1O2)c1ccccc1O 101080386 RPJKDOGPGDBVHD-WYQFLXGGSA-N 373.325 0.969 50 40 FCGB COc1cccc(N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)C2)c1 584940376 TZBCJRBSVXZFDM-CQSZACIVSA-N 354.215 0.631 50 40 FCGB Cn1c(CC(=O)NNC(=O)CNC(=O)c2ccco2)nc2ccccc21 5269922 UKAYIXZIAAEYCC-UHFFFAOYSA-N 355.354 0.286 50 40 FCGB C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)C(=O)NCCO 14922689 UGFOAQQJFUJKFE-CIAFOILYSA-N 356.382 0.769 50 40 FCGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)O 33332322 WMKVWMBGYBLRIP-ZDLGFXPLSA-N 365.386 0.331 50 40 FCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(C)cc2C)n(C)c1 29693191 BSNYHHLHIYHRMI-UHFFFAOYSA-N 364.427 0.625 50 40 FCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1 58873371 GAFABCCZQPSESO-VXLYETTFSA-N 362.430 0.955 50 40 FCGB CCOc1cc(/C=N/NC(=O)CC#N)ccc1OCC(=O)N1CCOCC1 409014222 WMYVDUJEMGKWHX-UDWIEESQSA-N 374.397 0.687 50 40 FCGB O=C(NNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccco1 32779758 LOLYFIIHXHCQGO-UHFFFAOYSA-N 355.358 0.395 50 40 FCGB C/C(=N/NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1ccncc1 973019 AQGHVUBRZGFIKW-NXUSMQHESA-N 364.409 0.956 50 40 FCGB COc1cc(CCCNC(=O)c2ccc(B(O)O)cc2)cc(OC)c1O 585009673 BGZBOLLFUOHOPA-UHFFFAOYSA-N 359.187 0.452 50 40 FCGB O=C(N/N=C1/C[C@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@@H]1O2)c1ccccc1O 13749809 RPJKDOGPGDBVHD-DFBDHRQXSA-N 373.325 0.969 50 40 FCGB O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(B(O)O)cc1 584933438 HIXSGPNYNUQIJU-KRWDZBQOSA-N 368.198 0.414 50 40 FCGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)N(CC(N)=O)c1ccccc12 2213666 NNYXJMJWRANPMR-IBGZPJMESA-N 364.361 0.487 50 40 FCGB C[C@@H]1Oc2ccccc2N(CC(=O)NNC(=O)c2ccccc2O)C1=O 14076362 BPRBXBYPPIBQSF-NSHDSACASA-N 355.350 0.967 50 40 FCGB C[C@H]1Oc2ccccc2N(CC(=O)NNC(=O)c2ccccc2O)C1=O 14076364 BPRBXBYPPIBQSF-LLVKDONJSA-N 355.350 0.967 50 40 FCGB O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)c1cc(Cl)ccc1Cl 33029185 VKRPWNRDXZRHEY-SECBINFHSA-N 359.169 0.743 50 40 FCGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc(OC)c1OC 59515965 VXIGAIYZGWUUQR-UFFVCSGVSA-N 372.381 0.874 50 40 FCGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1ccccc1O 716086 BKJDYWYOGUGVSR-CXUHLZMHSA-N 363.399 0.609 50 40 FCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 5561223 JRBHZVIAJJXRQM-PGMHBOJBSA-N 366.402 0.978 50 40 FCGB Cn1c(=O)c2cc(C(=O)N/N=C\[C@@H]3CC=CCC3)c(N)nc2n(C)c1=O 25174117 MJNRNJJQSIVKEZ-DWOMLUCJSA-N 356.386 0.286 50 40 FCGB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2C[C@@H](O)CCl 827967 XIEMLDLMLSWKFB-JTQLQIEISA-N 355.826 0.403 50 40 FCGB Cc1ccccc1OCC(=O)NNC(=O)CSc1nc(N)cc(N)n1 4126448 UWQULSSHXWJHJO-UHFFFAOYSA-N 362.415 0.268 50 40 FCGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1c(F)c(F)cc(F)c1F 5893263 UTESSOZWYGHZJZ-AYSLTRBKSA-N 361.215 0.944 50 40 FCGB Cc1cc(NC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)no1 12762098 SMHSFXRKJXXOBP-UHFFFAOYSA-N 373.778 0.750 50 40 FCGB COc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1OC 32967452 VJCKQDIZXOPKKL-SNVBAGLBSA-N 361.354 0.876 50 40 FCGB CS(=O)(=O)c1ccc([C@@H](O)[C@H](CO)NC(=O)C(Cl)Cl)cc1 1605334 OTVAEFIXJLOWRX-VHSXEESVSA-N 356.227 0.404 50 40 FCGB biogenic,in-man CCOC(=O)c1ccc(N/N=C2\C(=O)N(CCO)C(=O)C(C#N)=C2C)cc1 4691608 WKBOTXKPRRHVLR-QNGOZBTKSA-N 370.365 0.832 50 40 FCGB COc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1C 409078843 DIWVUARLCBEGNM-CYBMUJFWSA-N 353.382 0.652 50 40 FCGB Nc1nnnn1CC(=O)N/N=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6444501 HQNAINUZYWQWDB-RQZCQDPDSA-N 373.377 0.304 50 40 FCGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccccc1 19954058 ODIXTIMLKWYFTO-UHFFFAOYSA-N 372.406 0.925 50 40 FCGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)[C@H]1COc2ccccc2O1 1818585 FUIHOIHXHUCBTR-IWTIEGKHSA-N 352.324 0.816 50 40 FCGB C/C(N)=C(\C#N)C(=O)COC(=O)CCNS(=O)(=O)c1cccc(C)c1 104846554 UEAGSVKLYZMTNP-OWBHPGMISA-N 365.411 0.532 50 40 FCGB O=C(O)COc1ccccc1/C=N\NC(=O)C(=O)NCCc1ccccc1 38357647 YMWUINPOLWDFBR-MTJSOVHGSA-N 369.377 0.959 50 40 FCGB CS(=O)(=O)c1ccc([C@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1 1605333 OTVAEFIXJLOWRX-ZJUUUORDSA-N 356.227 0.404 50 40 FCGB biogenic,in-man C#CCOc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409087777 HQCXQBGYGFCQJB-AWEZNQCLSA-N 363.377 0.347 50 40 FCGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409379384 WOSCDZITZCMZDW-NZBPQXDJSA-N 357.366 0.929 50 40 FCGB COCCNC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 59515497 POWZARZYUXARNZ-OMCISZLKSA-N 372.175 0.391 50 40 FCGB O=C(O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1Cl 408853687 WQMMFUNBNYJCGQ-CAOOACKPSA-N 355.778 0.586 50 40 FCGB COc1ccc(O)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 14077177 XWOVUZIQYWGHTA-UHFFFAOYSA-N 368.349 0.723 50 40 FCGB CS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccc(Cl)c2)CC1 14226301 CHAKQPWDLOOLRU-UHFFFAOYSA-N 359.835 0.773 50 40 FCGB Cc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 575424414 ADQPNNSSCDCBHN-UWVGGRQHSA-N 367.832 0.376 50 40 FCGB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1cccnc1 65523146 YHJBWGWSDFATLR-HNNXBMFYSA-N 374.422 0.229 50 40 FCGB COC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)cc1 100978832 ULJWPDROTXZJDY-CQSZACIVSA-N 368.349 0.435 50 40 FCGB C[C@@H]1Cc2cc(C(=O)NNC(=O)c3cccnc3)ccc2N1S(C)(=O)=O 12871328 ZHCBRJDDTCQWFC-LLVKDONJSA-N 374.422 0.867 50 40 FCGB N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 12891807 DCRPBAMHKRSBGO-UHFFFAOYSA-N 359.363 0.953 50 40 FCGB CC[C@H](C)N1C(=O)/C(=C/NNC(=O)c2ccccc2O)C(=O)NC1=S 6555290 LCPFWZBOJFNRFD-OHMLCJAVSA-N 362.411 0.552 50 40 FCGB O=C(COCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O 17041180 BNRBVNZWXAPGCL-KFSYKRRRSA-N 370.365 0.715 50 40 FCGB CC(=O)O[C@@H]1[C@H](Br)O[C@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 6930989 XUZQAPSYNYIKSR-FSVXGXJESA-N 353.165 0.921 50 40 FCGB CCn1nc(C(=O)NNC(=O)CNC(=O)C(C)(C)C)c2ccccc2c1=O 14187425 TVUUWVAEEYHEHL-UHFFFAOYSA-N 373.413 0.340 50 40 FCGB O=C(COCC(=O)N/N=C\c1ccc(O)cc1)N/N=C\c1ccc(O)cc1 104164769 SMGNQJKLTCDHEO-QJUDHZBZSA-N 370.365 0.715 50 40 FCGB C/C(=N\NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 13661181 FGJQNCHZEYEMMQ-KEBDBYFISA-N 372.360 0.113 50 40 FCGB Cc1nonc1C(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 18192990 IAVRYOQGJIHOJT-CXUHLZMHSA-N 360.330 0.887 50 40 FCGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccc(O)c(O)c1 408731915 QSVDGDKQMJUDHV-GIDUJCDVSA-N 369.790 0.819 50 40 FCGB CC1(C)O[C@H](CI)[C@@H](COS(C)(=O)=O)O1 1715260 BIVYTAAGFCNNLG-RNFRBKRXSA-N 350.174 0.918 50 40 FCGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccco1 6509118 PSRDIAAFSOVHTF-LLVKDONJSA-N 371.349 0.865 50 40 FCGB C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccco2)ccc1F 29006948 OLAAYQCYJIJSRR-UHFFFAOYSA-N 367.358 0.958 50 40 FCGB COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2cc(OC)c(OC)cc21 223736056 DVTNADOPNIVJIK-SDXDJHTJSA-N 365.411 0.633 50 40 FCGB CCOc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409088162 DZNBUGGQNPULSI-CYBMUJFWSA-N 353.382 0.734 50 40 FCGB COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)c(OC)c1 575425482 FMPJVUGWAXLGEH-ZJUUUORDSA-N 369.848 0.387 50 40 FCGB CC1(C)O[C@H](CI)[C@H](COS(C)(=O)=O)O1 1715258 BIVYTAAGFCNNLG-RQJHMYQMSA-N 350.174 0.918 50 40 FCGB CN(CC(=O)NNC(=O)c1cccs1)Cc1nc2ccccc2c(=O)[nH]1 13016188 VWBBUBNQHKKELQ-UHFFFAOYSA-N 371.422 0.878 50 40 FCGB C/C(=N\NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cc(O)cc(O)c1 13321879 PJYFUZWXEVADKB-MHWRWJLKSA-N 355.416 0.610 50 40 FCGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1[N+](=O)[O-] 59459756 CRMMUVYUDYCTQD-DJKKODMXSA-N 357.326 0.765 50 40 FCGB COCCOC(=O)C1=C(C)NC(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517068 YXLVQQMDYZAEKM-GOSISDBHSA-N 355.350 0.604 50 40 FCGB Cc1cc(OCC(=O)NN=C2C(=O)NC(=O)NC2=O)cc(C)c1Cl 3035381 MWUPYYHYARQXMF-UHFFFAOYSA-N 352.734 0.174 50 40 FCGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 5511652 MMTKIFNAVJEGCX-LICLKQGHSA-N 352.347 0.596 50 40 FCGB Cc1ccc(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)c(C)c1 32855692 UHHQJLOOKGTBLS-UHFFFAOYSA-N 355.441 0.845 50 40 FCGB COc1cccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)c1OC 4942672 BJEBMXCBZWPNPC-GFCCVEGCSA-N 369.381 0.352 50 40 FCGB Cc1ccc(S(=O)(=O)NNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 8652784 GMUKFIPFWBIPLL-UHFFFAOYSA-N 358.379 0.855 50 40 FCGB O=C(NNC(=O)c1ccccn1)c1cccc(S(=O)(=O)NC2CC2)c1 10032436 ODPUUDXNFLPUTD-UHFFFAOYSA-N 360.395 0.597 50 40 FCGB O=C(NNC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)NC1CC1 10214247 NPZULRGAEPUJSY-UHFFFAOYSA-N 353.762 0.541 50 40 FCGB CC(=O)NC1=N[C@](NC(=O)c2ccc(C)cc2)(C(Cl)Cl)C(=O)N1 101426332 PMJVKUHTGSQNAV-CQSZACIVSA-N 357.197 0.847 50 40 FCGB COc1cc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)c(OC)c2c1OCO2 15107491 HSXNVQVFXKVPGK-SNVBAGLBSA-N 370.321 0.734 50 40 FCGB Cc1nc(CN(Cc2ccc(F)cc2)S(C)(=O)=O)ncc1C(=O)NN 223457958 GCGNPQAXQPNXQE-UHFFFAOYSA-N 367.406 0.489 50 40 FCGB CN(CC(=O)N/N=C/c1ccc2c(c1)OCC(C)(C)CO2)S(C)(=O)=O 225370378 ZOOJRQYWZFZKAW-CAOOACKPSA-N 369.443 0.826 50 40 FCGB CCCc1c(C(=O)N/N=C/c2ccc(O)cc2)nnn1-c1nonc1N 2447413 OWYNLKMFCKCEBZ-CAOOACKPSA-N 356.346 0.655 50 40 FCGB O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)NCc1ccco1 7003686 YJDZXPSZKXMGFQ-UHFFFAOYSA-N 351.746 0.776 50 40 FCGB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccncc1 15924934 QQVMUFHEGIZPJU-UHFFFAOYSA-N 357.326 0.571 50 40 FCGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1[N+](=O)[O-] 58884585 JYHJLMRGFBIISC-VXLYETTFSA-N 357.326 0.765 50 40 FCGB Cc1cc(C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 10105023 HTHJTEQCOIVDKR-SNVBAGLBSA-N 355.372 0.489 50 40 FCGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1cc(C)cc(C)c1 6778296 QNCNBRXNFIEASI-WFASDCNBSA-N 350.419 0.913 50 40 FCGB O=C(N/N=C1/C[C@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@@H]1O2)c1cccc(O)c1 9353120 ZXNAYLOXIQSTLE-NEVGKUSVSA-N 373.325 0.969 50 40 FCGB COc1ccc(C(=O)NNC(=O)C2CC2)cc1S(=O)(=O)N1CCCC1 14240060 MPPFPAJVJCGGJP-UHFFFAOYSA-N 367.427 0.651 50 40 FCGB CCCc1nnc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575421605 JFDIEFNSPDTYDN-BQBZGAKWSA-N 354.910 1.181 50 40 FCGB Cc1ccc(C(=O)NCC(=O)NNC(=O)c2cccc(O)c2)cc1[N+](=O)[O-] 9721244 PHQWRDRFNBEKEV-UHFFFAOYSA-N 372.337 0.800 50 40 FCGB CC(CO)(CO)C(=O)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000027 SURWEBDUDOQWET-UHFFFAOYSA-N 364.310 0.583 50 40 FCGB CS(=O)(=O)C1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=N)N1 101426354 ZIFPQBCMWYEGQM-LBPRGKRZSA-N 363.226 0.897 50 40 FCGB COC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2 5217331 DMOUTQCUYFEWME-KRWDZBQOSA-N 369.312 0.589 50 40 FCGB C[C@@H]1Oc2ccccc2N(CC(=O)NNC(=O)c2cccc(O)c2)C1=O 9155116 ZMZIICNTQSRWEI-NSHDSACASA-N 355.350 0.967 50 40 FCGB O=C(CCCC[C@@H]1CCSS1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 2362801569 XYMKZJBNSITKKA-IFLCCBJRSA-N 368.473 0.044 50 40 FCGB O=C(CN1CCCc2ccccc21)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 36391013 QCXYFLUJUZKEAX-AWEZNQCLSA-N 356.426 0.598 50 40 FCGB COc1ccc(S(=O)(=O)NNC(=O)c2cccnc2)cc1C(=O)O 226856626 GKZAIPYQPHENGO-UHFFFAOYSA-N 351.340 0.412 50 40 FCGB O=C(COC(=O)CNC(=O)c1ccccc1F)NNC(=O)c1ccccc1 3484522 SMGQDLYVXGZAAH-UHFFFAOYSA-N 373.340 0.560 50 40 FCGB CCc1c(C(=O)NNC(=O)c2ccco2)cnn1-c1ccc(OC)nn1 24487590 OSHJFPLIFYWJMH-UHFFFAOYSA-N 356.342 0.901 50 40 FCGB CCOc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)NN)C3)C2=O)cc1 5123715 OBQPIBPMGXZZMY-SWLSCSKDSA-N 360.414 0.419 50 40 FCGB Cn1nc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c2ccccc2c1=O 15940163 NZNIFCKGMSEATC-UHFFFAOYSA-N 362.349 0.885 50 40 FCGB N#CC1=C(N)C(C#N)(C#N)C2=CCNC[C@@H]2[C@H]1c1ccc(OCC(N)=O)cc1 20459412 SJJVYLYRZLNMDK-YJBOKZPZSA-N 374.404 0.564 50 40 FCGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@@H]1C[C@@H]2C=C[C@H]1C2 4593392 XKBCEEDBMYXNPR-TYNCELHUSA-N 369.450 0.856 50 40 FCGB Cc1ccc(OCC(=O)NCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 5033463 BXWFECRZILGEFN-UHFFFAOYSA-N 366.377 0.963 50 40 FCGB COc1ccc(C[C@@H](C(=O)NN)S(=O)(=O)NC(C)(C)C)cc1OC 5713877 LDIRWAJVOZDJPG-ZDUSSCGKSA-N 359.448 0.323 50 40 FCGB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1ccccc1F 2627701 IPJZJKSDNNPTOE-UHFFFAOYSA-N 356.313 0.290 50 40 FCGB N#CCC(=O)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 103857609 BPBTYADTLWATQG-GBYSLYJZSA-N 363.786 0.720 50 40 FCGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)c2cc(C)n[nH]2)c2ccccc21 17027474 WDROXFUYUUIJOX-HMMYKYKNSA-N 355.354 0.762 50 40 FCGB COc1cc(/C=N/NC(=O)CSc2nncn2C)cc(OC)c1O 2380038 AFWIXHCXOPPFHC-GIDUJCDVSA-N 351.388 0.780 50 40 FCGB Nc1nnnn1CC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 16450608 JSCMUHLUKSTBKG-REZTVBANSA-N 355.314 0.364 50 40 FCGB COC(=O)[C@@H]1[C@H]2O[C@@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)OC 104146803 YCJUEHAUUDTAAS-WNBCZPBOSA-N 372.009 0.873 50 40 FCGB COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c(OC)c1 2542047 VCYCJEJYOMNVGC-REZTVBANSA-N 372.345 0.322 50 40 FCGB CC1(C)NC(=O)N(CCC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1=O 7272430 PDCFHHIAUGXBIJ-UHFFFAOYSA-N 366.805 0.750 50 40 FCGB NC(=O)C(=O)NNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 8747873 NBHFIBVDBFSVRK-UHFFFAOYSA-N 368.802 0.551 50 40 FCGB NNC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 23230168 NVXSDROURKINDX-SFHVURJKSA-N 370.453 0.852 50 40 FCGB CCCc1nnc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575421613 JFDIEFNSPDTYDN-NKWVEPMBSA-N 354.910 1.181 50 40 FCGB Cc1ccc([C@H]2C3(C(=O)NC(=O)NC3=O)[C@]2(C#N)C(N)=C(C#N)C#N)cc1 85409170 ROEGQUKFWBLYKD-PXAZEXFGSA-N 360.333 0.215 50 40 FCGB CC(/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)=C\c1ccco1 4746462 IGJBIFXIBPENKI-KMCODNHSSA-N 370.369 0.232 50 40 FCGB CCC(=O)NNC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 6461895 TWUHRWWRZCRYPD-UHFFFAOYSA-N 364.387 0.083 50 40 FCGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc[nH]c1=O 12941008 VBSUQBQVEFFPPR-UHFFFAOYSA-N 366.171 0.977 50 40 FCGB Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 12987190 KOAVLLUIOLGKRK-SUMWQHHRSA-N 363.439 0.975 50 40 FCGB CCCCN1C(=O)/C(=C(\C)NNC(=O)c2ccccc2O)C(=O)N=C1O 16955784 KQWJZNROOSPUOM-JLHYYAGUSA-N 360.370 0.984 50 40 FCGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc(C)cc1[N+](=O)[O-] 96193581 RATPOEXDIISMLN-RGEXLXHISA-N 357.326 0.872 50 40 FCGB Cc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(=O)N=C2O)c1 17160032 VUOFXXQQESIMRW-UVTDQMKNSA-N 365.349 0.996 50 40 FCGB O=C(CCNc1ncccn1)NNC(=O)c1cc(Br)c[nH]1 40144405 HPJFREQIXIDEFR-UHFFFAOYSA-N 353.180 0.830 50 40 FCGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2O)s1 408732294 TZMQLXINKYUVFF-VIZOYTHASA-N 365.371 1.211 50 40 FCGB C/C(CC(=O)NCc1cccnc1)=N/NC(=O)C(=O)NCc1ccccc1 4180289 XMZCXTUWFRQDLM-UCQKPKSFSA-N 367.409 0.896 50 40 FCGB CCOc1cccc(N2C(=O)C[C@H](S/C(N)=N/NC(C)=O)C2=O)c1 4523610 CPWFWCNDJMRGBG-LBPRGKRZSA-N 350.400 0.816 50 40 FCGB CN1CCN(c2ccc(/C=N/NC(=O)c3nonc3N)cc2[N+](=O)[O-])CC1 34860044 SKURTTDPKQUHCO-RQZCQDPDSA-N 374.361 0.076 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/c2ccccc2F)nnn1-c1nonc1N 3640472 ONHUMAVJEVJJKA-CNHKJKLMSA-N 373.352 0.197 50 40 FCGB O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)[C@H]1COc2ccccc2O1 40159686 XDWWHGWSUYSTDF-LLVKDONJSA-N 370.287 0.889 50 40 FCGB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2c[nH]c3ccccc23)C1=O 22249677 RYEVOFWPVAFMIV-SFHVURJKSA-N 369.381 0.649 50 40 FCGB O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1CCl)[C@H]1[C@H]2C(=O)N(CCl)C(=O)[C@@H]2[C@H]31 103874950 YVCOWLFMOQPVIL-KGQDQTHKSA-N 369.204 0.643 50 40 FCGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 6879486 NJEVKYPVAZVGIA-UDWIEESQSA-N 360.414 0.664 50 40 FCGB Cn1c(=O)c2c(nc(Br)n2CCBr)n(C)c1=O 12374155 YWTIGWWOLSQHAJ-UHFFFAOYSA-N 366.013 0.591 50 40 FCGB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CCO)C2=O 97162865 WHAKZGDGKXOSSZ-UHFFFAOYSA-N 368.434 0.043 50 40 FCGB O=C(O)c1cccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 12792028 UQVFHEKJPAGUBX-UHFFFAOYSA-N 364.335 0.737 50 40 FCGB CCc1ccc(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)cc1 12973636 YUIRXPJZFDTKIW-UHFFFAOYSA-N 355.441 0.790 50 40 FCGB Cc1nnc(SCC(=O)N/N=C/c2cccc(OCC(N)=O)c2)s1 2429065 YFVNJERCMJNVCL-OMCISZLKSA-N 365.440 0.953 50 40 FCGB O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9912612 GFBVECXFUFDIHG-AWEZNQCLSA-N 367.427 0.411 50 40 FCGB Cc1ccc(C(=O)NNC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 27995618 VSUBEMDBOFOVFO-UHFFFAOYSA-N 368.802 0.917 50 40 FCGB CC(=O)OC([C@@H](OC(C)=O)C(=O)CCl)[C@@H](OC(C)=O)C(=O)CCl 1564977 IFHHOTSWJDFNLQ-RYUDHWBXSA-N 371.169 0.397 50 40 FCGB CCCc1c(C(=O)N/N=C/c2ccccc2O)nnn1-c1nonc1N 1876001 CGRLZWVJBVKBMW-CAOOACKPSA-N 356.346 0.655 50 40 FCGB COC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2ccccn2c1=O 5556981 JIDJTIPXXKFFBX-ACCUITESSA-N 353.382 0.526 50 40 FCGB O=S1(=O)C[C@H](NS(=O)(=O)c2cccc3cccnc23)[C@@H](Cl)C1 575426117 MWMOOBCWZQLFBH-QWRGUYRKSA-N 360.844 0.918 50 40 FCGB NNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 225501634 ZBSMIMNWQTVLOI-UHFFFAOYSA-N 374.466 0.797 50 40 FCGB COc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccco2)cc1OC 26960118 VJCKQDIZXOPKKL-JTQLQIEISA-N 361.354 0.876 50 40 FCGB O=C(CCO)NNC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 95942655 IKQYUISTMSSGHT-UHFFFAOYSA-N 370.431 0.396 50 40 FCGB Cn1c(=O)c2c(nc(/C=N\N(CCCl)CCCl)n2C)n(C)c1=O 4715211 HUGNYMHZSXRCKO-PXNMLYILSA-N 361.233 0.084 50 40 FCGB CS(=O)(=O)c1cccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)c1 42084674 QIIJEFZNZVGIRV-NSHDSACASA-N 357.457 0.378 50 40 FCGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2cccc(OC)c2)C1=O 4855867 QFNCVCFDZJLBFE-JLHYYAGUSA-N 360.370 0.973 50 40 FCGB CCc1noc(C)c1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 32717023 PMICQGDRHRIINB-UHFFFAOYSA-N 355.354 0.867 50 40 FCGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 6984830 GMXWWBANJFZGJL-MWLCHTKSSA-N 372.422 0.530 50 40 FCGB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 575422055 LWNBMJVLFBWNFV-VHSXEESVSA-N 353.849 0.686 50 40 FCGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 41091403 UNNZZNWDISNIIM-UHFFFAOYSA-N 374.422 0.809 50 40 FCGB COc1cc(C(=O)NNC(=O)COc2cc(C)on2)cc(OC)c1OC 14182874 KKKBCCUFMUYUCC-UHFFFAOYSA-N 365.342 0.849 50 40 FCGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2 7652491 ATFMIXJXVSJGSP-UHFFFAOYSA-N 355.350 0.996 50 40 FCGB Cc1occc1C(=O)NNC(=O)NCc1ccc(N2CCOCC2)nc1 40068973 LWXNXMXPSXWWNR-UHFFFAOYSA-N 359.386 0.964 50 40 FCGB O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc2c(c1)OCO2 6625968 YDFZNDSQVUDYAE-UHFFFAOYSA-N 366.337 0.530 50 40 FCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(C)cc2)n(C)c1 29687698 ZXXXYUVFOGPYPN-UHFFFAOYSA-N 350.400 0.316 50 40 FCGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)N2 409089029 LMZJCPZGCATXLG-NSHDSACASA-N 354.326 0.243 50 40 FCGB CCN1C(=O)C(=CNNC(=O)c2ccccc2O)C(=O)N(CC)C1=S 5576605 YNIPQCJKDLBWHR-UHFFFAOYSA-N 362.411 0.506 50 40 FCGB COc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)N(C)c2ccccc21 18115105 SQEXIBVICAIYOJ-XLNRJJMWSA-N 366.377 0.922 50 40 FCGB CC(C)(C)NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6074297 CFZUAFZTLYKEDO-UHFFFAOYSA-N 353.291 0.179 50 40 FCGB CCOc1cccc(N2C(=O)C[C@@H](S/C(N)=N/NC(C)=O)C2=O)c1 100073671 CPWFWCNDJMRGBG-GFCCVEGCSA-N 350.400 0.816 50 40 FCGB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 575422050 LWNBMJVLFBWNFV-NXEZZACHSA-N 353.849 0.686 50 40 FCGB CCCCOc1ccc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc1 1747353 ZXVLNTVBLKNLQA-WOJGMQOQSA-N 359.386 0.720 50 40 FCGB CCOc1ncccc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 6653865 OALPEZJMEIHUPG-UHFFFAOYSA-N 353.338 0.792 50 40 FCGB Cc1ccc(S(=O)(=O)NC[C@]23CC[C@H](O2)[C@@H]2C(=O)OC(=O)[C@@H]23)cc1 100396608 DRHUPZOEVAPEGO-JFILPPLUSA-N 351.380 0.521 50 40 FCGB COCc1n[nH]c2c1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9329172 NFGUUNHUOKRAJG-MRXNPFEDSA-N 368.309 0.789 50 40 FCGB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2nc(C)cc(C)n2)C1 40145254 UQGSFYNJUVCIGP-CYBMUJFWSA-N 355.464 0.988 50 40 FCGB O=S1(=O)C[C@H](Cl)[C@H](NC(=S)NCc2nc3ccccc3[nH]2)C1 575424210 TZAWTKXDIYOOMT-GZMMTYOYSA-N 358.876 0.931 50 40 FCGB CSc1nc2c(c(=O)[nH]1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)N2 4625696 VAMAYLDYVJVXLK-MRXNPFEDSA-N 352.379 0.849 50 40 FCGB CCS(=O)(=O)N1CCC(C(=O)N/N=C/c2c(C)nn(C)c2F)CC1 252498627 RGHOPYOJOQTPTE-CXUHLZMHSA-N 359.427 0.379 50 40 FCGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)NC1CC1 2375130 VEKZPPSTGFGOTL-YBFXNURJSA-N 358.398 0.417 50 40 FCGB CN1C(=O)NC(=O)/C(=C\NNC(=O)c2cccc(Br)c2)C1=O 408527770 GJFFFPSELUGCLK-RMKNXTFCSA-N 367.159 0.276 50 40 FCGB COCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9329171 NFGUUNHUOKRAJG-INIZCTEOSA-N 368.309 0.789 50 40 FCGB NNC(=O)CCC(=O)N/N=C/c1ccc(I)o1 27986468 ISQKQLDBFCRMGR-LFYBBSHMSA-N 350.116 0.104 50 40 FCGB CCc1c(C(=O)NNC(=O)c2ccccn2)cnn1-c1ccc(OC)nn1 24537364 JHSSYGSFWCNBAO-UHFFFAOYSA-N 367.369 0.703 50 40 FCGB COC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)cc1 2225025 ULJWPDROTXZJDY-AWEZNQCLSA-N 368.349 0.435 50 40 FCGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 12999650 XFWNYJFVRZSKEG-MRXNPFEDSA-N 369.377 0.333 50 40 FCGB C/C(=N\NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccs1 13685584 FCGPDZUMSXECEC-RQZCQDPDSA-N 360.399 0.036 50 40 FCGB COc1cccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c1 20210115 QGZBYFDMTKUJDJ-UHFFFAOYSA-N 368.459 0.659 50 40 FCGB N#Cc1ccc(CN2CCN(C(=O)NNC(=O)c3cnccn3)CC2)cc1 22474748 CQEMISMYLUYODH-UHFFFAOYSA-N 365.397 0.520 50 40 FCGB CC(C)Cc1nnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575421439 IHHBRCOTBJQJCQ-JGVFFNPUSA-N 352.869 1.263 50 40 FCGB Nc1nonc1CC(=O)N/N=C/c1cc2c(cc1Br)OCO2 5943570 QRNFHUIHCGTMOF-SYZQJQIISA-N 368.147 0.836 50 40 FCGB N#C/C(C(N)=O)=C1/S[C@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 101539833 DVSWYHNAOHQQQR-ICDWRCRZSA-N 374.403 0.707 50 40 FCGB CCn1nc(C(=O)NNC(=O)CCn2ccnc2)c2ccccc2c1=O 12611786 CLBSXPBFIHPNFI-UHFFFAOYSA-N 354.370 0.464 50 40 FCGB NC(=O)N/N=C(\c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccco1 104291244 YDIMTPKQHUYZDL-MDBUFAAASA-N 372.297 0.943 50 40 FCGB Nc1nonc1/N=N/N(CC(=O)N/N=C/c1ccccc1)c1nonc1N 14922309 ZANMJBWRCLLKAU-BYIDYIHWSA-N 371.321 0.273 50 40 FCGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)C(=O)NC2CC2)c(C)c1C 7726228 UXHXIEXXNSSHRH-UHFFFAOYSA-N 353.444 0.817 50 40 FCGB CCCn1nc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1=O 69047850 RTQKTQIQTCZJNH-AWEZNQCLSA-N 358.354 0.254 50 40 FCGB O=C(CC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O 2321652 FMNQACVNDJZEFA-GCBPPVMSSA-N 372.337 0.500 50 40 FCGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1OC 29557337 MHWXOUPTQUNOSD-GFCCVEGCSA-N 361.398 0.866 50 40 FCGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] 100959086 HHOMKVLTQNBHSQ-YVMONPNESA-N 354.282 0.557 50 40 FCGB O=S1(=O)C[C@H](NC(=S)NCc2nc3ccccc3[nH]2)[C@@H](Cl)C1 575424219 TZAWTKXDIYOOMT-KWQFWETISA-N 358.876 0.931 50 40 FCGB CSCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 6984835 GMXWWBANJFZGJL-KOLCDFICSA-N 372.422 0.530 50 40 FCGB C/C(CC(=O)NCCN1CCOCC1)=N\NC(=O)CCc1ccccc1 5046819 VNYCJVZPGFAVID-LTGZKZEYSA-N 360.458 0.950 50 40 FCGB Cc1occc1C(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12897349 VATRQIRPZRUAQW-UHFFFAOYSA-N 351.340 0.542 50 40 FCGB Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2C[C@@H](O)CCl 647516 URRVBYLNNMQBCZ-NSHDSACASA-N 363.805 0.635 50 40 FCGB N#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)Cc1ccccc1 6981924 UIUKPTCUEATVOU-UHFFFAOYSA-N 366.377 0.443 50 40 FCGB NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1 83318299 ZWJWKLXWQHCBMH-OCKHKDLRSA-N 372.337 0.988 50 40 FCGB CC(C)(C=O)C[C@H](C#N)/C(=N/NC(N)=O)C(=O)Nc1ccccc1C(N)=O 104291014 NWKZEEJLGRXQMK-BNATYVGNSA-N 372.385 0.503 50 40 FCGB CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl 7725971 STRARQSEXHVISW-UHFFFAOYSA-N 354.215 0.828 50 40 FCGB CC[C@@H](COC(=O)CCl)N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 217378611 GBWPZXLENFHQSU-UWVGGRQHSA-N 360.259 0.802 50 40 FCGB NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1 408822396 BENVYFDYABJAIR-UUYOSTAYSA-N 368.393 0.707 50 40 FCGB CCn1nc(C(=O)NNC(=O)c2ccc(O)nc2)c2ccccc2c1=O 17189715 SQMAPGRGQOMOJZ-UHFFFAOYSA-N 353.338 0.592 50 40 FCGB CC(=O)Nc1ccc(S(=O)(=O)SC[C@H](NC(C)=O)C(=O)O)cc1 2057753 PCQKLIJGTUJCAD-LBPRGKRZSA-N 360.413 0.656 50 40 FCGB Cc1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)n[nH]1 40154938 CPLVZQMPJZUZFG-UHFFFAOYSA-N 350.404 0.394 50 40 FCGB COc1nn([C@@H](C)C(=O)N/N=C/c2c(C)nn(C)c2F)cc1[N+](=O)[O-] 252481931 CVRBLJJYBLVQFZ-PDMWYYABSA-N 353.314 0.692 50 40 FCGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409087782 HQCXQBGYGFCQJB-CQSZACIVSA-N 363.377 0.347 50 40 FCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(OCC(N)=O)c1 8748294 DSLGUBIJLBEAHS-OAHLLOKOSA-N 369.333 0.214 50 40 FCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1 2410635 OTSSTXLISJQOFK-SHPPOPEUSA-N 358.350 0.252 50 40 FCGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1ccc(O)cc1 2395802 AFGYMYBMQOMGKI-VXLYETTFSA-N 352.350 0.989 50 40 FCGB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NNC(=O)C1CC1 8687911 HXOZLIJXXPAWIR-UHFFFAOYSA-N 356.473 0.973 50 40 FCGB Cc1[nH]c(=O)[nH]c(=O)c1CCSSCCc1c(C)[nH]c(=O)[nH]c1=O 1584527 HFQSCHAMVBOPEK-UHFFFAOYSA-N 370.456 0.223 50 40 FCGB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 23104668 ZYVHNVAJIIVLSJ-UHFFFAOYSA-N 361.270 0.126 50 40 FCGB Nc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 26974798 YHJJTLAZMCFDEH-AWEZNQCLSA-N 358.310 0.778 50 40 FCGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccncc1 18193298 KEHLTDSVXUKRMQ-BUESGFEBSA-N 367.390 0.861 50 40 FCGB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2cccnc2)C1=O 10128118 YFCISDYXLHVFOK-JLHYYAGUSA-N 365.349 0.791 50 40 FCGB COCc1c(C(=O)N/N=C(\C)c2ccccc2O)nnn1-c1nonc1N 12362418 POEZXRSTLBECGE-CAOOACKPSA-N 372.345 0.239 50 40 FCGB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccccc2)C1=O 15924964 JVRAIEVKFAHLPK-IBGZPJMESA-N 366.377 0.915 50 40 FCGB CCOC(=O)C(CC(=O)CBr)(NC(C)=O)C(=O)OCC 38278791 FSGJKNIWFYVNHX-UHFFFAOYSA-N 352.181 0.342 50 40 FCGB CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 1088027 ZJEWRSOGMRXSKI-LJQANCHMSA-N 365.345 0.871 50 40 FCGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)c1cccc([N+](=O)[O-])c1 4697785 XSISQITYVNJWEA-SFQUDFHCSA-N 361.358 0.391 50 40 FCGB CCOc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409088163 DZNBUGGQNPULSI-ZDUSSCGKSA-N 353.382 0.734 50 40 FCGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NNC(=O)c1ccncc1 9479686 HBQDEQFIBGXMDL-DYEKYZERSA-N 363.443 0.568 50 40 FCGB COCCN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3249558 BQVDTQPFIIWUEA-UHFFFAOYSA-N 366.805 0.385 50 40 FCGB CCN(NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(C)cc1 8778635 OBJXSKNSAGJTAI-UHFFFAOYSA-N 370.413 0.300 50 40 FCGB Cc1[nH]nc2c1[C@@]1(C(=O)N([C@@H](C)C(=O)O)c3ccccc31)C(C#N)=C(N)O2 4631613 MYQRKJDUQMWKMI-YYSFKGJASA-N 365.349 0.910 50 40 FCGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccccn1 7653100 DBLDBLOUIJXUHR-UHFFFAOYSA-N 367.159 0.628 50 40 FCGB COc1ccc(NC(=O)/C(=C\NC(=S)NNC(C)=O)C(C)=O)cc1 16958449 JJIUTQFPVGFKEQ-JYRVWZFOSA-N 350.400 0.622 50 40 FCGB CCCNC(=O)CN(C)CC(=O)NNC(=O)c1cc(C)c(CC)s1 57265224 JCHRDWQVEQQGQR-UHFFFAOYSA-N 354.476 0.838 50 40 FCGB Cc1cn(COC[C@@H](Br)CBr)c(=O)[nH]c1=O 101034024 JDJSZYFXMCTBOD-ZETCQYMHSA-N 356.014 0.978 50 40 FCGB O=C(COc1cccc(Cl)c1)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 4392945 HSVHYCWDGDOZJO-JTQLQIEISA-N 360.819 0.691 50 40 FCGB NNC(=O)c1ccccc1OCCOCCOc1ccccc1C(=O)NN 8569601 LCGHSSVREQIFGE-UHFFFAOYSA-N 374.397 0.368 50 40 FCGB CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O 2303300 FGSPCPHGNQHSSX-KHPPLWFESA-N 360.370 0.973 50 40 FCGB CC(=O)c1c(NNC(=O)CSc2nc(C)cc(=O)[nH]2)oc(C)cc1=O 35682787 MTJOWZQDZBKSRQ-UHFFFAOYSA-N 364.383 0.778 50 40 FCGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccnc2)CC1 59433820 QMTURKXVDMCFQG-KGENOOAVSA-N 367.409 0.889 50 40 FCGB O=C(N/N=C\c1ccc(O)cc1O)C(=O)N/N=C\c1ccc(O)cc1O 73289256 IDNCTMMAWXJSJE-MZAUSLISSA-N 358.310 0.109 50 40 FCGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3cn(C)nc3C)C2=O)cc1 102001906 AMRTUAGNLZCOQD-AWEZNQCLSA-N 357.370 0.304 50 40 FCGB COC(=O)NNC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479743 PMEOGDJSZCBBIG-VIFPVBQESA-N 350.331 0.133 50 40 FCGB Cc1cc(Br)c2c(c1)/C(=N/NC(=O)CCC(=O)NN)C(=O)N2 27986379 NEEYWENHLBPXDH-UHFFFAOYSA-N 368.191 0.300 50 40 FCGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)cc1OC 2276842 GGCVTNIBJJSMKN-AWQFTUOYSA-N 373.365 0.995 50 40 FCGB biogenic COc1ccc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)cc1OC 7708728 ZYBHNUBRGODNBE-UHFFFAOYSA-N 368.415 0.677 50 40 FCGB CNC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2c(C)cccn2c1=O 2201249 BKIMUYCWLGBPIB-JLHYYAGUSA-N 353.382 0.493 50 40 FCGB O=C(CCl)NCCCN1CCN(CCCNC(=O)CCl)CC1 22585392 BLBUDEGSHCUZHL-UHFFFAOYSA-N 353.294 0.094 50 40 FCGB C/C(N)=C(\C#N)C(=O)COC(=O)CSCC(=O)Nc1cc(C)on1 104461097 MUTJSXGULGIQQF-KTKRTIGZSA-N 352.372 0.523 50 40 FCGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409381276 FTZCHSJFPQMJQS-KYZVSKTDSA-N 373.365 0.450 50 40 FCGB O=C(COCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1 1739668 SMGNQJKLTCDHEO-LQGKIZFRSA-N 370.365 0.715 50 40 FCGB Cc1csc(CC(=O)NNC(=O)COC(=O)c2c(C)[nH]sc2=N)n1 9953160 LRDULMLMXCNFDC-UHFFFAOYSA-N 369.428 0.176 50 40 FCGB CNC(=S)NNC(=O)COc1ccccc1-n1nc2ccccc2n1 20220257 ASESWUPVVGNDCB-UHFFFAOYSA-N 356.411 0.924 50 40 FCGB C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2c[nH]c3ccccc23)C1=O 22249681 RYEVOFWPVAFMIV-GOSISDBHSA-N 369.381 0.649 50 40 FCGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc(OC)c1OC 59459499 GIYUJVMZDVLAAZ-SRZZPIQSSA-N 372.381 0.874 50 40 FCGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccco2)C1=O 408537823 XKWVCXSHPCTDRW-SVXRXWARSA-N 370.321 0.903 50 40 FCGB COc1ccc(C(=O)NNC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1 5389332 OHBDFJDIPVZJQW-UHFFFAOYSA-N 354.370 0.753 50 40 FCGB Cc1cc(C)n2nc(C(=O)OCC(=O)NNC(=O)c3ccccc3)nc2n1 8282937 ZIBQISOEOHMVEP-UHFFFAOYSA-N 368.353 0.359 50 40 FCGB C[C@@H](C(=O)NNC(=O)c1ccccc1F)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12542762 QADBQBRCJSCEFC-SRVKXCTJSA-N 359.357 0.926 50 40 FCGB N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 12891812 SRLFHSXUEPCHJF-UHFFFAOYSA-N 359.363 0.953 50 40 FCGB COc1cc(C(=O)NNC(=O)[C@H](C)NC(N)=O)ccc1OCCC(C)C 27235542 YCNXAOXDJAPQFG-NSHDSACASA-N 366.418 0.938 50 40 FCGB O=C(CSc1nnnn1-c1ccc(F)cc1)NNC(=O)c1ccco1 932383 ILPCKCRULSFTOV-UHFFFAOYSA-N 362.346 0.948 50 40 FCGB CNC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2c(C)cccn2c1=O 2200725 CZECBKFQCSGVSW-SDNWHVSQSA-N 366.425 0.408 50 40 FCGB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 72988379 KUUGHRCTTLNEMN-WZRBSPASSA-N 354.428 0.918 50 40 FCGB O=C(Cn1ccccc1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 32845654 ISIGFAABDOSHCC-UHFFFAOYSA-N 353.338 0.201 50 40 FCGB CCOC(=O)CC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O 5903772 HAHFDPZUASCPSY-UHFFFAOYSA-N 361.354 0.441 50 40 FCGB O=C(COc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccccc21 6133364 HJBVRVBIPIHJQH-UHFFFAOYSA-N 352.350 0.654 50 40 FCGB CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 6509198 WWXSVJARDJGIJH-UHFFFAOYSA-N 365.353 0.696 50 40 FCGB CCOc1ccc(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)cc1 12801349 SOIZJXFDOWPKTE-UHFFFAOYSA-N 371.440 0.627 50 40 FCGB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)N[C@@H](Cl)CP(=O)(O)O)cc1 226849541 LGFSKMHJXYFVNI-AXFHLTTASA-N 354.683 0.321 50 40 FCGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O 5526498 SOERHGHXPDXUDL-LZYBPNLTSA-N 358.192 0.758 50 40 FCGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(O)cc2O)c(=O)c1C#N 5749506 CCFHPARHKVABTE-DNTJNYDQSA-N 370.365 0.736 50 40 FCGB COC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 6733539 CJHBDINZQLEREC-SFHVURJKSA-N 365.349 0.474 50 40 FCGB COC(=O)[C@@H]1[C@H]2O[C@@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)OC 104146816 YCJUEHAUUDTAAS-PSGKDBJXSA-N 372.009 0.873 50 40 FCGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1 1056700 LLGLJMOKYXDXTL-CAOOACKPSA-N 356.346 0.704 50 40 FCGB O=C(CSc1nncs1)NNC(=O)[C@@H]1COc2ccccc2O1 7194216 WVIJCCFLTQBMEG-JTQLQIEISA-N 352.397 0.618 50 40 FCGB C=CCOc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409090391 MZWVTRMZGSXLFV-AWEZNQCLSA-N 365.393 0.900 50 40 FCGB COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1OC 3090748 XATMZJJLIJHPLR-REZTVBANSA-N 372.345 0.322 50 40 FCGB N#CC1=C(N)Oc2ccccc2[C@@]12C(=O)N(CC(N)=O)C1=C2C(=O)CCC1 4517130 UXGQGWMMALMBJB-LJQANCHMSA-N 364.361 0.345 50 40 FCGB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2 22616740 HOXXKAUHYJNGCN-ZDUSSCGKSA-N 370.365 0.456 50 40 FCGB COc1cc(/C=N/NC(=O)c2nonc2N)cc(Br)c1O 704920 KYGSGVRYCHTHJL-LNKIKWGQSA-N 356.136 0.892 50 40 FCGB N#CCC(=O)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 1097126 YTTBQSOQHWTOSE-RGVLZGJSSA-N 353.382 0.864 50 40 FCGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1 6295843 XAFLBZHEFUHLEF-RCCKNPSSSA-N 374.441 0.540 50 40 FCGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccncc1 18193300 KEHLTDSVXUKRMQ-UZPSYVQNSA-N 367.390 0.861 50 40 FCGB O=C(N/N=C/c1ccc[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3525191 KLVNZZGQLPMUBW-LDADJPATSA-N 362.411 0.800 50 40 FCGB Cc1cccc(C(=O)NNC(=O)C(=O)NNC(=O)c2cccc(C)c2)c1 1744013 XNULEONYUCWCAK-UHFFFAOYSA-N 354.366 0.526 50 40 FCGB Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)c1cccc(O)c1)C(F)(F)F 12548271 HYPMEPSWTBXCKX-AWEZNQCLSA-N 372.303 0.727 50 40 FCGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1889672 NJKFDICNJWIZKZ-MIUNIBSDSA-N 367.406 0.371 50 40 FCGB C[C@@H](OC(=O)c1nccnc1N)C(=O)NNC(=O)c1cccc(Cl)c1 9313477 MQZCOIMNRNLLLX-MRVPVSSYSA-N 363.761 0.719 50 40 FCGB Cc1cc(C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 10105022 HTHJTEQCOIVDKR-JTQLQIEISA-N 355.372 0.489 50 40 FCGB CCOc1ccc(/C=N\NC(=O)C(=O)NCCCN2CCOCC2)cc1 36374099 ISIMAQPNRDCIPM-ZHZULCJRSA-N 362.430 0.374 50 40 FCGB Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)Nc3ccccc32)c1 6131982 WOQXPAWHWHJKOR-UHFFFAOYSA-N 366.377 0.963 50 40 FCGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(S(=O)(=O)O)o1 1867409 GTOMUHAYEIKOEK-VGOFMYFVSA-N 369.311 0.964 50 40 FCGB Cc1cn(COC[C@H](Br)CBr)c(=O)[nH]c1=O 101034022 JDJSZYFXMCTBOD-SSDOTTSWSA-N 356.014 0.978 50 40 FCGB NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 32116342 IQGQQBCWXFGAFP-UHFFFAOYSA-N 350.356 0.780 50 40 FCGB O=S(=O)(c1ccccc1)n1c(C(F)F)cc2c(B(O)O)ccnc21 202760600 VIGTVDHBQHDFPC-UHFFFAOYSA-N 352.127 0.891 50 40 FCGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 6502215 WDPVKWWOQUYGDV-UHFFFAOYSA-N 372.406 0.746 50 40 FCGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 8104762 OOAGJWLVGRSJGD-FRKPEAEDSA-N 374.191 0.376 50 40 FCGB COCCNC(=O)CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 5511752 IBORJUUIVKFZPI-VCHYOVAHSA-N 353.375 0.315 50 40 FCGB CC(C)=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1 8743484 MMYRUATYJBZPPN-UHFFFAOYSA-N 361.410 0.590 50 40 FCGB CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2cc(C)oc2C)CC1 26310936 GVUJDNILWNNCFH-UHFFFAOYSA-N 372.447 0.655 50 40 FCGB C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NN)c3)nc2)C1 98212158 YVWPKIFBFSEKQV-NSHDSACASA-N 364.431 0.291 50 40 FCGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN)cc1 813124 ZUAQHNVEDMETOM-UHFFFAOYSA-N 363.439 0.919 50 40 FCGB O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1cccc([N+](=O)[O-])c1 863640 VOOIVWVNDLFPFE-UHFFFAOYSA-N 367.325 0.710 50 40 FCGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(O)cc1O 13805670 ZQXGERUPZHPPBY-AWQFTUOYSA-N 371.349 0.749 50 40 FCGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1ccccc1O 1273681 FWDNVENGMSLWRZ-VXLYETTFSA-N 352.350 0.989 50 40 FCGB CCOC(=O)N[C@@H]1OC(C#N)=C[C@H](C(=O)OCC)[C@H]1NC(=O)OCC 4267643 RVJXMQWWAAEIET-QJPTWQEYSA-N 355.347 0.790 50 40 FCGB biogenic N=c1nn[nH]n1CC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Cl)c1Cl 408720077 XFCJDRKZQLNPCT-LZWSPWQCSA-N 359.133 0.451 50 40 FCGB CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 212081451 BXZNFSVQUBJVNQ-ZROIWOOFSA-N 359.382 0.586 50 40 FCGB COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1O 19798737 YSCIAZGMPSLNOS-LZYBPNLTSA-N 372.219 0.946 50 40 FCGB Cn1cccc1C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCCO2 21632978 WILOPAJCRCTCEE-UHFFFAOYSA-N 351.384 0.810 50 40 FCGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)NNC(=O)c1ccccc1 408672100 ZJCPJDJMKOVRGD-OGMFBOKVSA-N 358.350 0.188 50 40 FCGB CC(C)c1nnc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1 575422653 MMMBWBGXDUVVTH-RQJHMYQMSA-N 354.910 1.352 50 40 FCGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1 58873760 QPFBXQLWCHBGLL-DJKKODMXSA-N 359.338 0.598 50 40 FCGB O=C(NNC(=O)[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9912614 GFBVECXFUFDIHG-CQSZACIVSA-N 367.427 0.411 50 40 FCGB COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1OC 16227558 ZAZDDYNZWGIGNT-UWVGGRQHSA-N 369.848 0.387 50 40 FCGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 103128483 GQWJNCAVIKIJFY-CSKARUKUSA-N 367.339 0.480 50 40 FCGB COc1ccc(OCC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 4392941 LATBUTREOUJTHQ-LLVKDONJSA-N 356.400 0.046 50 40 FCGB C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)C(=O)NCCO 14922692 PFCIZBYAQWJKBR-CIAFOILYSA-N 356.382 0.769 50 40 FCGB CCn1cc(Cl)c(C(=O)NNC(=O)CCn2ccc([N+](=O)[O-])n2)n1 655492 VUXSAZGCOLECBR-UHFFFAOYSA-N 355.742 0.512 50 40 FCGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(O)cc1O 28617711 HCMXFKMDGWAOOG-CHHVJCJISA-N 358.192 0.643 50 40 FCGB COC(=O)Cc1n[nH]c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 6733540 CJHBDINZQLEREC-GOSISDBHSA-N 365.349 0.474 50 40 FCGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)NCCO 13142170 GPMXUDBWBQDZAP-ZVBGSRNCSA-N 374.319 0.635 50 40 FCGB COCCNc1nnc(SCC(=O)NNC(=O)c2ccco2)s1 25319573 IQNONASEDMFUEO-UHFFFAOYSA-N 357.417 0.743 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/[C@H]2C[C@H]3C=C[C@H]2C3)nnn1-c1nonc1N 101038587 APPZPMBKDSJNKA-ZJDBUTOGSA-N 371.405 0.222 50 40 FCGB COC(=O)[C@H]1[C@H]2O[C@@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O 104146855 PARDFKQRBDLOAI-HYBKHIPXSA-N 357.982 0.784 50 40 FCGB CCCCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 3342874 WJEXDBBCJKXQDQ-UHFFFAOYSA-N 356.448 0.746 50 40 FCGB Cc1ccc(OCC(=O)NNC(=O)CSc2ncc(C#N)c(N)n2)cc1 4126878 FEPWHJZCQSXKQD-UHFFFAOYSA-N 372.410 0.557 50 40 FCGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2nnc(C)o2)c1 7604878 UTBXXQQLBBWEPF-UHFFFAOYSA-N 352.372 0.949 50 40 FCGB O=C(CCCCC(=O)NNC(=O)c1ccco1)NNC(=O)c1ccco1 97956278 BICWIWPQRAGLIJ-UHFFFAOYSA-N 362.342 0.655 50 40 FCGB COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1OC 16227560 ZAZDDYNZWGIGNT-NXEZZACHSA-N 369.848 0.387 50 40 FCGB CC1(C)[C@@H](C(=O)OCI)N2C(=O)C[C@@H]2S1(=O)=O 21992098 OLTVXWRKDHZFFR-NKWVEPMBSA-N 373.168 0.056 50 40 FCGB CC[C@@H](C)C(=O)NCC(=O)NNC(=O)c1cc(Br)cn1C 70040589 OQRJTMINXYWHLI-MRVPVSSYSA-N 359.224 0.711 50 40 FCGB O=C(CCNC(=O)c1ccccc1)NNC(=S)NC[C@@H]1CCCO1 15900282 XWXUWNTVLJBSMG-ZDUSSCGKSA-N 350.444 0.481 50 40 FCGB O=C(CCN1CCOCC1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 24631613 YXMZFSXZEXJSHB-UHFFFAOYSA-N 356.766 0.732 50 40 FCGB O=C(CCc1ccco1)NNC(=O)c1csc(N2CCOCC2)n1 40009618 MVWYZLABLADOQR-UHFFFAOYSA-N 350.400 0.967 50 40 FCGB CC1=CC(=O)/C(=C(/C)NNC(=O)c2cc(C(F)(F)F)n(C)n2)C(=O)O1 101540501 NWHZLHPLRYATLW-YRNVUSSQSA-N 358.276 0.977 50 40 FCGB COc1ccc(O)c(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c1 3092691 FXFCRXYCVFVZJQ-OMCISZLKSA-N 358.318 0.019 50 40 FCGB O=C(O)[C@@H]1[C@@H]2C[C@@H]([C@H](Br)[C@H]2N2C(=O)CCC2=O)[C@@H]1C(=O)O 6760919 DGUWCGCSFBDQTL-SUXZEBBSSA-N 360.160 0.319 50 40 FCGB in-vitro O=C(N/N=C1/C(=O)N(CN2CCOCC2)c2ccccc21)c1cccnc1 25328881 PHKHVKNLZQCNLZ-HEHNFIMWSA-N 365.393 0.852 50 40 FCGB CCCCCCN1C(=O)NC(=O)/C(=C\NNC(=O)c2ccncc2)C1=O 2318766 FCJXEPVAGOZNJC-ACCUITESSA-N 359.386 0.859 50 40 FCGB CC[C@H](NC[C@H](O)Cn1cc(/C=N/NC(N)=O)c2ccccc21)C(=O)O 28295721 WWFZYZDHQITDEN-LUSBUMTNSA-N 361.402 0.457 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/c2ccsc2)nnn1-c1nonc1N 2375888 UXBOYODJWARCFN-PJQLUOCWSA-N 361.391 0.120 50 40 FCGB CC1(C)N(N)C(O)=C[C@H]2C3=C(NN21)OC(N)=C(C#N)[C@@H]3c1cccnc1 16605288 ALJIYQRUPAKNJM-AAEUAGOBSA-N 353.386 0.614 50 40 FCGB CC(=O)NNC(=O)CSC(=S)N(N)CCOc1ccc(C)cc1 1751411 WOAHHFZSLKLPCR-UHFFFAOYSA-N 356.473 0.735 50 40 FCGB O=C(NNC1=NCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 5573811 TYORNVKTBIMWCS-UHFFFAOYSA-N 352.416 0.134 50 40 FCGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(F)c(F)c1 1445374 JLTPHYSKTKPZHO-NGYBGAFCSA-N 362.300 0.973 50 40 FCGB O=C(Cn1cnc2sccc2c1=O)NNC(=O)c1n[nH]c2c1CCCC2 12556477 OLRBGKRSJQHZBV-UHFFFAOYSA-N 372.410 0.521 50 40 FCGB N#C/C(C(N)=O)=C1/S[C@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 101539841 DVSWYHNAOHQQQR-YRUCSBSJSA-N 374.403 0.707 50 40 FCGB Cc1nnc(NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc1O 48354466 AKMVZKOETZTSAO-SECBINFHSA-N 372.341 0.111 50 40 FCGB CC(=O)NCCCC(=O)NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 100980757 RXRCBMUXJZDYPX-ZDUSSCGKSA-N 366.805 0.509 50 40 FCGB COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2O[C@H]1[C@H](Br)[C@@H]2Br 104146806 YCJUEHAUUDTAAS-OKLSXTTOSA-N 372.009 0.873 50 40 FCGB CC1(C)[C@H](C(=O)OCI)N2C(=O)C[C@H]2S1(=O)=O 21992095 OLTVXWRKDHZFFR-RQJHMYQMSA-N 373.168 0.056 50 40 FCGB O=C1NC(=S)NC(=O)C1=C(NNC(=O)c1ccncc1)c1ccccc1 13957103 CEMCTKXCCVVETK-UHFFFAOYSA-N 367.390 0.258 50 40 FCGB COc1cc(C(=O)NNC(=O)[C@@H](C)NC(N)=O)ccc1OCCC(C)C 27235535 YCNXAOXDJAPQFG-LLVKDONJSA-N 366.418 0.938 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@H]2C3)nnn1-c1nonc1N 101038585 APPZPMBKDSJNKA-WCGWXSBISA-N 371.405 0.222 50 40 FCGB CCCc1nnc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1 575421616 JFDIEFNSPDTYDN-RQJHMYQMSA-N 354.910 1.181 50 40 FCGB CN(C)N(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 12778795 IRRBQLGXJPHGEM-LBPRGKRZSA-N 360.457 0.196 50 40 FCGB CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O 169748272 AYQZFVZTNUOLCQ-OJAKKHQRSA-N 358.467 0.178 50 40 FCGB CCc1noc(C)c1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 9691431 GHBMOXCMIGFSDS-UHFFFAOYSA-N 366.399 0.857 50 40 FCGB Cc1ccc(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)cc1C 12784257 IASRUEFDWMQRGB-UHFFFAOYSA-N 355.441 0.845 50 40 FCGB O=C(CNC(=O)Nc1nnc(S)s1)N/N=C\c1ccccc1O 5648935 ZEKGJAFJXRKMDF-RZNTYIFUSA-N 352.401 0.804 50 40 FCGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 6578723 ZPSVRXXOAZAUFH-RGVLZGJSSA-N 354.366 0.900 50 40 FCGB CN(C)N(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 12778793 IRRBQLGXJPHGEM-GFCCVEGCSA-N 360.457 0.196 50 40 FCGB O=C(/C=C/C(=O)N1CCOCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2 199417861 CJKNGOMTXRQPIT-OWOJBTEDSA-N 361.442 0.765 50 40 FCGB COC(=O)Cn1c(=O)c(C(=O)CCl)c(N)n(Cc2ccccc2)c1=O 3220748 VNXUBAJLDDCREJ-UHFFFAOYSA-N 365.773 0.235 50 40 FCGB CCOc1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 7652516 MKBUYYMSVBGDET-UHFFFAOYSA-N 374.397 0.711 50 40 FCGB Cc1cc2c(c(=O)o1)[C@]1(C(=O)N(CO)c3ccccc31)C(C#N)=C(N)O2 2348696 HAMWRFRJBAUGFQ-GOSISDBHSA-N 351.318 0.617 50 40 FCGB CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(=O)N1CCOCC1 4545613 WQMDNZKBWCGQRY-ZROIWOOFSA-N 359.382 0.715 50 40 FCGB CCOC(=O)c1cnc(SCC(=O)NNC(=O)c2ccco2)nc1N 6089626 CYJKNELJGBHNRO-UHFFFAOYSA-N 365.371 0.382 50 40 FCGB Cc1cc2c(c(=O)n1CCO)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 6669500 WZSFZQPOXUFAKT-IBGZPJMESA-N 364.361 0.474 50 40 FCGB COc1ccc(CCNC(=O)NN[C@H]2CCS(=O)(=O)C2)cc1OC 12983313 CCNSMLOPCIDLQW-LBPRGKRZSA-N 357.432 0.237 50 40 FCGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 409381511 HFLUNBBDCATFED-YMEQNVIZSA-N 361.310 0.400 50 40 FCGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCO2)c1cc(C2CC2)n[nH]1 71279931 IMRQINXKKCFCCL-UHFFFAOYSA-N 350.356 0.639 50 40 FCGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)NC1CC1 3671870 VFRFHBGMMNMEAG-PJQLUOCWSA-N 354.160 0.907 50 40 FCGB COc1cc2nc(N3CCN(C)CC3)nc(NNC(N)=O)c2cc1OC 4619002 QJWADJZQHZDQBT-UHFFFAOYSA-N 361.406 0.394 50 40 FCGB O=C(N/N=C1/C[C@@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@@H]1O2)c1cccc(O)c1 9311955 IHRGXZISWMUBIT-DJELDJHFSA-N 374.313 0.364 50 40 FCGB C[C@H]1Oc2ccccc2N(CC(=O)NNC(=O)c2cccc(O)c2)C1=O 9155115 ZMZIICNTQSRWEI-LLVKDONJSA-N 355.350 0.967 50 40 FCGB COC(=O)c1ccc(NC(=O)N/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1 16694031 JOLJQEMVVLXNTL-JYRVWZFOSA-N 354.322 0.975 50 40 FCGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(OCC(N)=O)cc2)[C@H]2CNCC=C12 19852155 VQXHEKIWRAOMOU-FUHWJXTLSA-N 374.404 0.564 50 40 FCGB Cc1ccc(S(=O)(=O)NC[C@]23C=C[C@](C)(O2)[C@@H]2C(=O)OC(=O)[C@@H]23)cc1 100396614 WRDBYLWEAPOAAT-RMHZUWNSSA-N 363.391 0.687 50 40 FCGB COc1nn([C@H](C)C(=O)N/N=C/c2c(C)nn(C)c2F)cc1[N+](=O)[O-] 252481932 CVRBLJJYBLVQFZ-SDUWKLLGSA-N 353.314 0.692 50 40 FCGB NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 193413263 BEFLDUBXIWQITN-VIFPVBQESA-N 362.249 0.840 50 40 FCGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNC(=O)c1cccc([N+](=O)[O-])c1 16693838 MAYKFUBGFOWUSU-JYRVWZFOSA-N 355.310 0.552 50 40 FCGB COc1ccc2c(C)c(CCC(=O)N3CC(=O)OC(=O)C3)c(=O)oc2c1 103763531 GNTIXHUIONIEBS-UHFFFAOYSA-N 359.334 0.955 50 40 FCGB COc1ccc(Br)cc1/C=N/NC(=O)Cn1nnnc1N 2320003 DEQAXFMNMOVBLA-LHHJGKSTSA-N 354.168 0.177 50 40 FCGB CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl 7725990 XKUHWRKJRMWGKZ-UHFFFAOYSA-N 354.215 0.828 50 40 FCGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)NNC(=O)c1ccccc1 408672097 ZJCPJDJMKOVRGD-BUONHZGMSA-N 358.350 0.188 50 40 FCGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3nn(CCO)c(N)c3C#N)ccc21 13548994 ABTSABXZOFQHLM-GHXNOFRVSA-N 363.381 0.584 50 40 FCGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1ccc(O)cc1O 1260848 QNTRVVJBGUMSFW-DJKKODMXSA-N 368.349 0.695 50 40 FCGB Nc1nonc1-n1nnc(CN2CCCC2)c1C(=O)N/N=C/c1ccco1 2242820 QDEIMPDLJUVXDM-CAOOACKPSA-N 371.361 0.185 50 40 FCGB O=C(NNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cccnc1 30552364 MBXCZEAKAQKCME-UHFFFAOYSA-N 366.385 0.197 50 40 FCGB CS(=O)(=O)C1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1 101411094 MFXRWCQVNIMQKS-LBPRGKRZSA-N 364.210 0.447 50 40 FCGB Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](OC[C@@H]2CCCO2)C(C)C)n1 69918822 YWVQMVCYQDGCKQ-HOCLYGCPSA-N 352.435 0.868 50 40 FCGB Cc1cc(-c2nnc(SCC(=O)NN)n2C[C@@H]2CCCO2)nn1C 4294118 HZIUPBMEEVYDGY-JTQLQIEISA-N 351.436 0.248 50 40 FCGB CCOC(=O)NNS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 14245579 DLDVDDMOTPRSJP-UHFFFAOYSA-N 360.344 0.199 50 40 FCGB O=C(CN1CCCc2ccccc21)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 36391012 QCXYFLUJUZKEAX-CQSZACIVSA-N 356.426 0.598 50 40 FCGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(NC(=O)CC#N)cc2)n1 6510748 CJFKUMKSVAMQCS-UHFFFAOYSA-N 354.370 0.813 50 40 FCGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Br 12973844 CMSOCGLQUKDGHT-MRVPVSSYSA-N 361.217 0.645 50 40 FCGB COc1cc(C(=O)NNC(=O)/C=C/c2cnn(C)c2)cc(OC)c1OC 14187622 GTHBWAVQHSOVAK-AATRIKPKSA-N 360.370 0.920 50 40 FCGB CN1CCC(=NNC(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1 20211733 CWKAMVUCIABRDH-UHFFFAOYSA-N 356.423 0.790 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/[C@@H]2CC=CCC2)nnn1-c1nonc1N 3905921 JQTKQIXUNBHWJQ-UWOUAGFBSA-N 359.394 0.366 50 40 FCGB CN(C)S(=O)(=O)NCC(=O)NN=Cc1cccc(Br)c1 6645802 BNZRSILKTIBXJC-UHFFFAOYSA-N 363.237 0.295 50 40 FCGB Cc1ccc(OCC(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)cc1 12950703 QFAHBUZRPURHDI-UHFFFAOYSA-N 366.377 0.931 50 40 FCGB COc1ccccc1N1C[C@H](C(=O)OCC(=O)/C(C#N)=C(/C)N)CC1=O 104880748 CMLHFMPOUGVDBZ-NPRUJURCSA-N 357.366 0.917 50 40 FCGB CCOC(=O)[C@H]1CCCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 9502025 MHLBYXGHAAFZSY-LBPRGKRZSA-N 368.459 0.417 50 40 FCGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1ccc([N+](=O)[O-])cc1O 16694035 CTAZGTXNLMZZNX-POHAHGRESA-N 357.282 0.802 50 40 FCGB Cc1occc1C(=O)NNC(=O)NCc1ccnc(N2CCOCC2)c1 29730087 LUPCYRGSAXAMOK-UHFFFAOYSA-N 359.386 0.964 50 40 FCGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 8091881 ZGJFLCIIRGICKM-WSDLNYQXSA-N 368.393 0.578 50 40 FCGB O=C(COCC(=O)Nc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccncc1 9849481 LSWLUHMIBYBZCF-UHFFFAOYSA-N 373.325 0.406 50 40 FCGB O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)c1n[nH]c2ccccc12 32731336 NCNLKZDITZNYRX-UHFFFAOYSA-N 373.394 0.302 50 40 FCGB CCc1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 18095255 BYGJUNBNPGCLSP-UHFFFAOYSA-N 358.398 0.875 50 40 FCGB Cc1cccn2c(=O)c(/C=C(/C#N)C(N)=O)c(N3CCN(C)CC3)nc12 26779638 XAGKZUQTDWPJHL-RAXLEYEMSA-N 352.398 0.147 50 40 FCGB CCOc1cc(/C=C(/C#N)C(=O)NC)ccc1OCC(=O)N1CCOCC1 409014164 FZMXFMRTHWFPJA-GDNBJRDFSA-N 373.409 0.976 50 40 FCGB O=C(NNc1nc2nonc2nc1NNC(=O)C(F)(F)F)C(F)(F)F 98086812 HRYSDSQYDZHZAD-UHFFFAOYSA-N 374.161 0.024 50 40 FCGB CCCCNC(=O)NNC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O 2250477 BKKZFMNNCLDRDU-ZDUSSCGKSA-N 360.418 0.151 50 40 FCGB Cc1cc([N+](=O)[O-])nn1CCC(=O)NNC(=O)c1c(Cl)cnn1C 2771760 ALIWSEQJFPBCCI-UHFFFAOYSA-N 355.742 0.338 50 40 FCGB O=C(O)[C@H]1[C@H]2C[C@@H]([C@H](N3C(=O)CCC3=O)[C@H]2Br)[C@H]1C(=O)O 100132757 DGUWCGCSFBDQTL-BJORWPQXSA-N 360.160 0.319 50 40 FCGB in-vitro O=C(N/N=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1nc[nH]n1 16431468 YBBFIRYKLAESDO-FXBPXSCXSA-N 350.294 0.712 50 40 FCGB Cn1cccc1CC(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1 3300048 NZVRYLZCGYFSRL-UHFFFAOYSA-N 353.382 0.584 50 40 FCGB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc[nH]1 6991489 ORVNCSAIWRRQTJ-UHFFFAOYSA-N 370.818 0.798 50 40 FCGB C[C@H]1CN(CC(=O)NNC(=O)c2ccc(Br)o2)[C@@H](C)CO1 106151089 UNSDQHIDRAKVHM-IUCAKERBSA-N 360.208 0.912 50 40 FCGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1 17074514 DODVISWWBRBGNH-RCSLCFTFSA-N 362.382 0.788 50 40 FCGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(O)cc1O 2541958 ODJBPQDHMNZCJF-OMCISZLKSA-N 358.318 0.106 50 40 FCGB CCn1cc(S(=O)(=O)NNC(=O)c2cncc(Br)c2)cn1 71282488 XGWQAZYYMUWKAC-UHFFFAOYSA-N 374.220 0.684 50 40 FCGB Nc1nc(CC(=O)N/N=C2/C(=O)N(CC(=O)O)c3ccccc32)cs1 5590007 RZNYXFSUGMCPLZ-CPNJWEJPSA-N 359.367 0.220 50 40 FCGB C=CCNC(=S)NNC(=O)c1ccc(NNC(=S)NCC=C)cc1 16185824 AEHHDOOVNCTUNB-UHFFFAOYSA-N 364.500 0.959 50 40 FCGB O=C(CN1C(=O)CSC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 10386570 LANHNUHPXZBOPS-UHFFFAOYSA-N 371.356 0.806 50 40 FCGB O=C1NC(=S)NC(=O)C1=CNNC(=O)c1ccc(Br)cc1 6646012 WIPPIFNNCTYGLW-UHFFFAOYSA-N 369.200 0.098 50 40 FCGB CCOC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 9502019 MHLBYXGHAAFZSY-GFCCVEGCSA-N 368.459 0.417 50 40 FCGB COc1cc2c(cc1OC)[C@@](O)(C(=O)NN)N(Cc1ccccc1)C2=O 40544898 GALXZYJPZMHQPA-GOSISDBHSA-N 357.366 0.495 50 40 FCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 28214353 YNKLNLXTUGAMLS-YBFXNURJSA-N 362.430 0.372 50 40 FCGB COc1cc(/C=N\NC(=O)[C@H]2C=NNC2=O)cc(Br)c1O 100948831 XJZDUBJRAXGHGE-UZUWDLTRSA-N 355.148 0.345 50 40 FCGB Cc1occc1C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 12916291 BVUZYPLVBJBLPH-GOSISDBHSA-N 370.365 0.816 50 40 FCGB CC(=O)NN(C)c1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 28444098 PVTGXPWDODSLAK-UHFFFAOYSA-N 354.370 0.182 50 40 FCGB Cc1ccc(NCC(=O)NNC(=O)c2cccnc2-n2cncn2)cc1 72245366 HQHCLAQAEUMCKY-UHFFFAOYSA-N 351.370 0.844 50 40 FCGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1 58873913 UROSHNKIVLAFRT-SRZZPIQSSA-N 370.365 0.400 50 40 FCGB Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cc1 584929137 IIFJXMIQJDACPQ-UHFFFAOYSA-N 352.199 0.273 50 40 FCGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC(C)C)cc1 83261736 FYCMXVRMZOHDSV-JAIQZWGSSA-N 360.414 0.732 50 40 FCGB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)c1 408593953 QUSHEGSZKKXFHP-UHFFFAOYSA-N 351.384 0.865 50 40 FCGB CC1(C)N(N)C(O)=C[C@H]2C3=C(NN21)OC(N)=C(C#N)[C@H]3c1cccnc1 245225940 ALJIYQRUPAKNJM-WCQYABFASA-N 353.386 0.614 50 40 FCGB O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32261371 QKHAWKHRUWMXQM-GDBMZVCRSA-N 357.410 0.855 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/[C@H]2CC=CCC2)nnn1-c1nonc1N 3905920 JQTKQIXUNBHWJQ-JVDJPWEPSA-N 359.394 0.366 50 40 FCGB CN1CCC(=NNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 20211925 MPMPPLGHTROJHI-UHFFFAOYSA-N 356.423 0.790 50 40 FCGB Cc1nn(C)c2ncc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc12 24149057 LDKXQCNGCPEDHG-UHFFFAOYSA-N 367.365 0.895 50 40 FCGB CSc1nc2nc(C)c(CC(=O)OCC(=O)/C(C#N)=C(/C)N)c(C)n2n1 105275958 CRTXMBQGVIOITK-WQLSENKSSA-N 374.426 0.874 50 40 FCGB O=C(CN1CCOCC1)N/N=C/c1ccc(I)o1 408734832 FOKXEUYUZBDQRL-NTUHNPAUSA-N 363.155 0.667 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/[C@H]2C[C@@H]3C=C[C@H]2C3)nnn1-c1nonc1N 9318203 APPZPMBKDSJNKA-FELXHLFCSA-N 371.405 0.222 50 40 FCGB C/C(N)=C(\C#N)C(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O 104710442 PDQLNCNFXKEEQB-KAMYIIQDSA-N 355.350 0.931 50 40 FCGB O=C(N/N=C/c1ccncc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3302943 ZVPHYBSJNQJHEV-CPNJWEJPSA-N 374.422 0.866 50 40 FCGB C[C@H](Cl)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 13725850 KZABGOXNWYKDLA-LBPRGKRZSA-N 360.867 0.277 50 40 FCGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1 408834946 XLEWNDCWHKKTSY-SRRANQMSSA-N 368.393 0.878 50 40 FCGB COc1cc(/C=N/NC(=O)Cn2nc(C)cc2C)ccc1OCC(N)=O 1066692 KREWGJQCAZHQEV-UFWORHAWSA-N 359.386 0.523 50 40 FCGB Nn1c(SCC(=O)NNC(=O)c2cccs2)nnc1-c1ccco1 9253210 HTSXPJDBVOQDLX-UHFFFAOYSA-N 364.412 0.867 50 40 FCGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccnc2)cc1OC 59516134 IYNSEWDSTIRHDB-CIAFOILYSA-N 356.382 0.908 50 40 FCGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(Cl)cc1 59483801 QJVONFYCCIIEOB-XDHOZWIPSA-N 352.822 0.629 50 40 FCGB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1 2457607 GRHWELWDQPEZQC-UHFFFAOYSA-N 362.835 0.776 50 40 FCGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC 5511713 UCNBTPJDAROUBO-LZYBPNLTSA-N 358.192 0.670 50 40 FCGB N#Cc1ccc(OCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 2638417 YGUFGTIGLQRSLT-UHFFFAOYSA-N 363.333 0.635 50 40 FCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(OCC(N)=O)cc1 100638100 WCNPWRIRUVOUGH-OAHLLOKOSA-N 369.333 0.214 50 40 FCGB N#CC1=C(N)O[C@@H]2NC(=O)NC(=O)[C@@H]2[C@H]1c1cc2c(cc1Cl)OCO2 5749107 QDZQRQTYEDHFPD-MJVIPROJSA-N 362.729 0.658 50 40 FCGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 6326185 DIUULWNOAXCRNJ-CIAFOILYSA-N 374.441 0.910 50 40 FCGB Cc1cc(C(=O)NNC(=O)NC2CCN(S(C)(=O)=O)CC2)c(C)o1 26280981 HVDXHKUYTILRLE-UHFFFAOYSA-N 358.420 0.264 50 40 FCGB Cn1c(=O)c2c(ncn2CC(=O)N/N=C/C=C\c2ccccc2)n(C)c1=O 13896548 QAYJQLGZFSFZGE-URSQURDQSA-N 366.381 0.249 50 40 FCGB NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 193413279 BEFLDUBXIWQITN-SECBINFHSA-N 362.249 0.840 50 40 FCGB N#Cc1ccccc1OCC(=O)NNC(=O)CCNC(=O)c1ccccc1 6559873 ROZWVQKQKOPGOA-UHFFFAOYSA-N 366.377 0.905 50 40 FCGB COC(=O)c1ccc(N/N=C2/C(=O)N(CCO)C(=O)C(C#N)=C2C)cc1 101150589 ZDEXPYDZAGIFEC-XSFVSMFZSA-N 356.338 0.442 50 40 FCGB CS(=O)(=O)CCN(CCS(C)(=O)=O)C[C@H](CCl)n1cccn1 71921869 USEHQQOHQVLFAM-LBPRGKRZSA-N 371.912 0.054 50 40 FCGB CCCC(=O)N1CSC[C@@H]1C(=O)NCCCNS(=O)(=O)CCl 76094723 AZBDYOPEONBLDD-SNVBAGLBSA-N 371.912 0.310 50 40 FCGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 5069759 KRGOARPOAIFNFP-CPWFCVNUSA-N 365.390 0.221 50 40 FCGB CC(C)CC(=O)NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 5380402 FZDDZWQNLRYXDW-UHFFFAOYSA-N 365.438 0.034 50 40 FCGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(OC)cc1 101098957 QFLIMAYYDAZMLN-YBFXNURJSA-N 350.375 0.279 50 40 FCGB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2C[C@H](O)CCl 827966 XIEMLDLMLSWKFB-SNVBAGLBSA-N 355.826 0.403 50 40 FCGB CCCc1c(C(=O)N/N=C/c2cccc(OC)c2)nnn1-c1nonc1N 2450548 SAKPOBAJBRNMNA-GIJQJNRQSA-N 370.373 0.958 50 40 FCGB CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CCl)cc1 95115775 QQXLQXPNUMSZDI-ZDUSSCGKSA-N 351.790 0.784 50 40 FCGB Cc1nn(CC(=O)NNC(=O)CCn2cc(Cl)cn2)c(C)c1[N+](=O)[O-] 2785548 VCYGSIUHRFCNQD-UHFFFAOYSA-N 369.769 0.496 50 40 FCGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)NCCO 4852707 DOLWNUZHYQAZRX-ZETCQYMHSA-N 364.185 0.017 50 40 FCGB O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)[C@@H]1COc2ccccc2O1 40159687 XDWWHGWSUYSTDF-NSHDSACASA-N 370.287 0.889 50 40 FCGB Nc1nc2c(ncn2[C@H]2CC[C@@H](CI)O2)c(=O)[nH]1 95627594 AEAUFSGSHFMVLZ-NTSWFWBYSA-N 361.143 0.814 50 40 FCGB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@@]16[C@@H]1C=C[C@H](OO1)[C@]56[C@H]2[C@@H]43 104283726 KNOKLYCOZICOLN-PWQAPDCRSA-N 361.357 0.657 50 40 FCGB Cc1ccccc1C(=O)NNC(=O)c1nc(S(C)(=O)=O)ncc1Cl 28287128 FIWFIPGMPAGCNY-UHFFFAOYSA-N 368.802 0.917 50 40 FCGB C[C@@H](Sc1nc(NC(C)(C)C)nc(N2CCOCC2)n1)C(=O)NN 1443455 ZMRPZYBRVVUJGB-SECBINFHSA-N 355.468 0.389 50 40 FCGB C[C@H](OC(=O)c1nccnc1N)C(=O)NNC(=O)c1cccc(Cl)c1 9313476 MQZCOIMNRNLLLX-QMMMGPOBSA-N 363.761 0.719 50 40 FCGB Cc1ccoc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 12851483 PGRSDAYZTOBNGU-UHFFFAOYSA-N 351.384 0.913 50 40 FCGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCN(C)CC3)nc12 2200510 XAGKZUQTDWPJHL-JLHYYAGUSA-N 352.398 0.147 50 40 FCGB CCCc1c(C(=O)N/N=C(\C)c2cccnc2)nnn1-c1nonc1N 9479009 VCMAUCLYGKDXID-GIJQJNRQSA-N 355.362 0.734 50 40 FCGB COc1ccc(-c2cc(C(=O)NNC(=O)c3ccc[nH]c3=O)[nH]n2)cc1 12559411 FJRYCVWBTCWXPC-UHFFFAOYSA-N 353.338 0.848 50 40 FCGB O=C1[C@@H]2[C@H]3[C@H]4C=C[C@@H]([C@H]5C(=O)N(CCl)C(=O)[C@H]45)[C@H]3[C@H]2C(=O)N1CCl 103874962 YVCOWLFMOQPVIL-HGOBXLMCSA-N 369.204 0.643 50 40 FCGB Cc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 5697901 LCJGWPANGDUSQE-VOAKCMCISA-N 363.326 0.542 50 40 FCGB COc1cccc(C(=O)NNC(=O)CN2C(=O)COc3ccccc32)c1O 12568017 AYBRIYMKWBJGDO-UHFFFAOYSA-N 371.349 0.587 50 40 FCGB CN1N=C(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CCC1=O 58229227 XWMKTHOMDOBQFB-UHFFFAOYSA-N 365.415 0.179 50 40 FCGB COC(=O)NNC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479742 PMEOGDJSZCBBIG-SECBINFHSA-N 350.331 0.133 50 40 FCGB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/NNC(=O)c1ccncc1 4837477 NFLUMIGCZMKUGJ-PKNBQFBNSA-N 369.312 0.622 50 40 FCGB O=C(O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 101052681 IVHMHMTWPYMOST-RNGGSSJXSA-N 369.009 0.993 50 40 FCGB COc1ccc(C(=O)NC(=S)NNC(=O)c2cnccn2)cc1OC 2399248 UDICXUBEONZJND-UHFFFAOYSA-N 361.383 0.443 50 40 FCGB COCCCNC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 5511562 SOIPTWRNPWDCQG-VCHYOVAHSA-N 353.375 0.315 50 40 FCGB COCCNC(=O)C(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1 4600415 VMDPHIOTBXPKJN-UHFFFAOYSA-N 355.394 0.806 50 40 FCGB CCOC(=O)N1CCC[C@H](C(=O)NNS(=O)(=O)c2ccccc2)C1 32786853 ZXSPCCSCRQQLGN-LBPRGKRZSA-N 355.416 0.865 50 40 FCGB COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c(OC)c1 575425476 FMPJVUGWAXLGEH-UWVGGRQHSA-N 369.848 0.387 50 40 FCGB Cc1ccc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cc1 29401880 KBWDXYRXSZMUPS-INIZCTEOSA-N 365.393 0.876 50 40 FCGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1O 409264653 QTEJFFOGDGGCAM-AWQFTUOYSA-N 371.349 0.896 50 40 FCGB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1ccco1 6509120 RGMQJBGLNUWKIZ-UHFFFAOYSA-N 362.367 0.169 50 40 FCGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cn1cn[nH]c1=O 96007087 YROVSKLIJCJLHQ-NSHDSACASA-N 355.354 0.340 50 40 FCGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)c(O)c2)cc1OC 3084950 IBEAJWCNWKYQIV-AWQFTUOYSA-N 373.365 0.995 50 40 FCGB O=C(COc1ccc(/C=N/NC(=O)CO)cc1)NCCc1ccccc1 58882224 VWYDPRHNMJJYBV-CIAFOILYSA-N 355.394 0.867 50 40 FCGB Cc1nn(C)c(C)c1CCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 9723023 FKBHKEINVCTWEE-UHFFFAOYSA-N 368.397 0.667 50 40 FCGB CCCn1nc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1=O 69047851 RTQKTQIQTCZJNH-CQSZACIVSA-N 358.354 0.254 50 40 FCGB O=C(N/N=C1/C[C@H](n2cnc([N+](=O)[O-])n2)[C@@H]2CO[C@@H]1O2)c1cccc(O)c1 101073015 IHRGXZISWMUBIT-UUMQHJJASA-N 374.313 0.364 50 40 FCGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 6295749 BEWGKXPBGDGHHT-UDWIEESQSA-N 358.398 0.440 50 40 FCGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 14186538 OWODXGNZCMQCMS-JTQLQIEISA-N 364.345 0.830 50 40 FCGB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)N1CCl)[C@H]1[C@H]2C(=O)N(CCl)C(=O)[C@@H]2[C@H]31 103874957 YVCOWLFMOQPVIL-FHGDJGRYSA-N 369.204 0.643 50 40 FCGB CO[C@H]1O[C@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@H]1O 4656449 VUWYKCUKVSNBJE-SKENRDBWSA-N 361.188 0.700 50 40 FCGB N#Cc1ccccc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12971947 VCHNKPJDPDRCAN-AWEZNQCLSA-N 359.363 0.708 50 40 FCGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2cccn2C)c1C 13031486 NFBKMMKNNMTRLM-UHFFFAOYSA-N 351.384 0.963 50 40 FCGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2cccnc2)cc1 4698841 OEBAOMMIBZQIHC-UHFFFAOYSA-N 353.338 0.370 50 40 FCGB CC(C)(C=O)C[C@H](C#N)/C(=N\NC(N)=O)C(=O)Nc1ccccc1C(N)=O 16957680 NWKZEEJLGRXQMK-OLNDJOMCSA-N 372.385 0.503 50 40 FCGB O=C(CCC(=O)NNC(=O)c1cccs1)NNC(=O)c1cccs1 100044190 CPKSQSQPULFJKF-UHFFFAOYSA-N 366.424 0.812 50 40 FCGB C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)COc1ccccc1F)CS2 32971597 QHCNKCCUBKSXBI-ZBEGNZNMSA-N 367.402 0.806 50 40 FCGB Cc1cc(C)n(CC(=O)NNC(=O)[C@H](OC[C@H]2CCCO2)C(C)C)n1 69918824 YWVQMVCYQDGCKQ-GDBMZVCRSA-N 352.435 0.868 50 40 FCGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CC2(C1)NC(=O)NC2=O 89598001 MGPQTQZKKTZEBO-UHFFFAOYSA-N 374.441 0.729 50 40 FCGB CCCCNC(=O)NNC(=O)CCCC(=O)NNC(=O)NCCCC 104081928 ORJVXRBZGJQZMO-UHFFFAOYSA-N 358.443 0.418 50 40 FCGB CNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2ccccn2c1=O 5022071 SASGULVLCVICDS-CRFVKXMPSA-N 367.409 0.961 50 40 FCGB Cc1cc(C)nc(NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)n1 30625328 JZFUZFRFMHRCEK-CQSZACIVSA-N 371.376 0.796 50 40 FCGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 226859773 PMGWQVQOMDQSLK-UHFFFAOYSA-N 359.363 0.502 50 40 FCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccco2)cc1OC 6583092 MJRMKBNCRYGNMW-CXUHLZMHSA-N 367.383 0.725 50 40 FCGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 6664107 UHJCRWWINCUVHR-BIMULSAOSA-N 350.375 0.057 50 40 FCGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 7516493 UXTGFHYKPYXBFD-NSHDSACASA-N 355.310 0.210 50 40 FCGB CC(=O)Nc1cccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 8135131 VZAJLTZOCIKTPY-UHFFFAOYSA-N 365.349 0.956 50 40 FCGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(OCC(N)=O)cc2)[C@@H]2CNCC=C12 27129831 VQXHEKIWRAOMOU-AEFFLSMTSA-N 374.404 0.564 50 40 FCGB Cc1cccc(/C=C/C(=O)NNC(=O)CCN2C(=O)NC(C)(C)C2=O)c1 7273072 QHEKOTGAKNXDTG-BQYQJAHWSA-N 358.398 0.876 50 40 FCGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cnn(-c2ccccc2)n1 8881216 HBNMBIQTZGRUHI-INIZCTEOSA-N 365.349 0.868 50 40 FCGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc([N+](=O)[O-])cc1 8826629 SQUKTZUKUCUVQR-FRKPEAEDSA-N 371.317 0.603 50 40 FCGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-] 16693846 KCXAGCIQGOJPLZ-WQLSENKSSA-N 355.310 0.552 50 40 FCGB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCBr 32288628 IBDFGUQBVWLZDV-UHFFFAOYSA-N 351.986 0.581 50 40 FCGB NC(=O)N/N=C(/COc1nsnc1N1CCOCC1)c1ccccc1 12136882 JBAGDODEFIJSPD-ATVHPVEESA-N 362.415 0.826 50 40 FCGB NNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]21 71789617 IJJWOSAXNHWBPR-YWPYICTPSA-N 371.507 0.379 50 40 FCGB in-vitro O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 2457774 BADSZXHBCSWVAD-UHFFFAOYSA-N 360.819 0.530 50 40 FCGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)c1ccc(Br)cc1 26807468 QFZXWCIJZMNELS-GIDUJCDVSA-N 351.160 0.898 50 40 FCGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NC(C)C)cc1 58872944 WIKZERRIPAZGQE-GRSHGNNSSA-N 362.430 0.955 50 40 FCGB Cn1ccnc1[C@](O)(CC(=O)NNC(=O)c1cccc(O)c1)C(F)(F)F 12548272 HYPMEPSWTBXCKX-CQSZACIVSA-N 372.303 0.727 50 40 FCGB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 72281647 BTYYJKBKXQPLKH-OCCSQVGLSA-N 362.430 0.503 50 40 FCGB COC(=O)[C@H]1C[C@@H](I)[C@H]2OC(=O)[C@H]1[C@H]2C(=O)OC 104114870 PUKKBIVKQRGBML-SLBCVNJHSA-N 368.123 0.314 50 40 FCGB C/C(=N/NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1cccnc1 973021 FZUOYLAUTIBBKG-GLFIFPSUSA-N 364.409 0.956 50 40 FCGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1 8091884 SCGOVCRXLDLBCY-WSDLNYQXSA-N 368.393 0.578 50 40 FCGB O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CC1 1345853 WOLCIMXHNJRVRN-HNNXBMFYSA-N 365.455 0.786 50 40 FCGB O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1)C1CC1 1347047 CCCHKPNGSCRVDX-GFCCVEGCSA-N 369.418 0.784 50 40 FCGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc1 3640407 OSWMMXRFBPYVGW-QGMBQPNBSA-N 369.389 0.366 50 40 FCGB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NNC(=O)c1ccco1 3892229 IXTDPHTUAHVSKR-UHFFFAOYSA-N 358.266 0.245 50 40 FCGB COCc1c(C(=O)N/N=C/c2ccccc2F)nnn1-c1nonc1N 2342711 NKCDFBBQFDGCQX-UBKPWBPPSA-N 360.309 0.282 50 40 FCGB NNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 4521224 IJJWOSAXNHWBPR-XUJVJEKNSA-N 371.507 0.379 50 40 FCGB COc1ccc(C[C@H](C(=O)NN)S(=O)(=O)NC(C)(C)C)cc1OC 1574687 LDIRWAJVOZDJPG-CYBMUJFWSA-N 359.448 0.323 50 40 FCGB Cn1c(=O)c2c(nc(/C=N/N(CCCl)CCCl)n2C)n(C)c1=O 104387587 HUGNYMHZSXRCKO-LZYBPNLTSA-N 361.233 0.084 50 40 FCGB Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3ccccc3)ccc21 41091397 LMXIXMJTZJNCPU-UHFFFAOYSA-N 360.395 0.500 50 40 FCGB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 61087817 BTYYJKBKXQPLKH-TZMCWYRMSA-N 362.430 0.503 50 40 FCGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cn1 100527466 QDRHWZOFWNWRSD-DJKKODMXSA-N 355.782 0.318 50 40 FCGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 6295753 BRTVEMUDHAFYRB-UDWIEESQSA-N 358.398 0.440 50 40 FCGB N#Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12784868 FKPLFZLCKNOFIH-INIZCTEOSA-N 353.334 0.924 50 40 FCGB Cn1c(=O)c2cc(C(=O)N/N=C\[C@H]3CC=CCC3)c(N)nc2n(C)c1=O 25174109 MJNRNJJQSIVKEZ-OVNPTBDBSA-N 356.386 0.286 50 40 FCGB Nc1nonc1-n1nnc(CN2CCCC2)c1C(=O)NN=C1CCCC1 25760001 GETYBXUZYQRYSM-UHFFFAOYSA-N 359.394 0.488 50 40 FCGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1ccc(O)cc1 5944522 OINYWFHNEUQBPD-CXUHLZMHSA-N 363.399 0.609 50 40 FCGB CCCS(=O)(=O)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 22874569 JWCBOLAKZQSYBZ-UHFFFAOYSA-N 368.503 0.555 50 40 FCGB Cc1ccc(C(=O)NCC(=O)NNc2ncnc(N)c2[N+](=O)[O-])cc1C 3912704 ANECHBGHLAAKIZ-UHFFFAOYSA-N 359.346 0.457 50 40 FCGB CCOc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)NCCOC)cc1 4405630 BEJBXXYKEKWYOD-UDWIEESQSA-N 364.402 0.669 50 40 FCGB CC(C)NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2 12623471 RGCPKQRADLBGPW-UHFFFAOYSA-N 355.398 0.647 50 40 FCGB O=C(N/N=C/C=N/NC(=O)[C@H](O)c1ccccc1)[C@H](O)c1ccccc1 18276870 LRXCPNWFUAREHP-YLZJAJORSA-N 354.366 0.658 50 40 FCGB COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)C2)c1 584940375 TZBCJRBSVXZFDM-AWEZNQCLSA-N 354.215 0.631 50 40 FCGB Cc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 5697898 LCJGWPANGDUSQE-XQHKEYJVSA-N 363.326 0.542 50 40 FCGB C/C(N)=C(\C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 105829562 QQZVCNDHCBYQIM-FPISAVPCSA-N 356.338 0.508 50 40 FCGB CCOC(=O)NNC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 13006372 RYBYIMBOIDAFQD-GFCCVEGCSA-N 368.415 0.527 50 40 FCGB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2ccc3c(c2)CCC3)C1=O 23652380 GLISXXYEQMBJPL-IBGZPJMESA-N 370.409 0.657 50 40 FCGB COc1ccc(OC)c(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c1 2541942 OZTBDDYEAIWHIW-REZTVBANSA-N 372.345 0.322 50 40 FCGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccccn2)cc1 4699087 AWWKOBZNADDTJG-UHFFFAOYSA-N 353.338 0.370 50 40 FCGB C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NN)c3)nc2)C1 98212157 YVWPKIFBFSEKQV-LLVKDONJSA-N 364.431 0.291 50 40 FCGB O=C(N/N=C1/C[C@@H](n2cc([N+](=O)[O-])cn2)[C@@H]2CO[C@@H]1O2)c1cccc(O)c1 101040700 ZXNAYLOXIQSTLE-WSXSHOIKSA-N 373.325 0.969 50 40 FCGB CN1CCN(CC(=O)NNC(=O)c2ccc(Br)cc2)CC1 32642252 WXTLWJGEGZNZPN-UHFFFAOYSA-N 355.236 0.458 50 40 FCGB CCn1nc(C(=O)NNC(=O)c2ccc[nH]c2=O)c2ccccc2c1=O 12811617 RUPHOIVATCISLO-UHFFFAOYSA-N 353.338 0.180 50 40 FCGB COc1ccc(C(=O)NNC(=O)CSc2ncc(C#N)c(N)n2)cc1 4126924 ABJLXIIMTIDJIU-UHFFFAOYSA-N 358.383 0.492 50 40 FCGB COC(=O)CNP(=O)(NCC(=O)OC)N(CCCl)CCCl 104268104 KLTCGNPYRKISHC-UHFFFAOYSA-N 364.166 0.399 50 40 FCGB COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 5514434 SMDDYJWCXNZOTJ-CPWFCVNUSA-N 350.331 0.349 50 40 FCGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccncc2)cc1 6545156 SZYFXMJXXCJSAV-WOJGMQOQSA-N 362.411 0.861 50 40 FCGB NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1 59960496 FFRPOYYFNGPUOK-JAIQZWGSSA-N 360.414 0.840 50 40 FCGB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1OC 2457635 YXKBRRCIWBPNQM-UHFFFAOYSA-N 362.835 0.776 50 40 FCGB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCBr 3037938 NMSCGMAKIFJPRR-UHFFFAOYSA-N 366.013 0.971 50 40 FCGB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)NNC(=O)c1ccccc1 869957 QZNHTOXBGKEVAX-UHFFFAOYSA-N 367.325 0.710 50 40 FCGB CC1(C)O[C@@H](COS(C)(=O)=O)[C@H](CI)O1 1715259 BIVYTAAGFCNNLG-BQBZGAKWSA-N 350.174 0.918 50 40 FCGB CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CCl)cc1 95115774 QQXLQXPNUMSZDI-CYBMUJFWSA-N 351.790 0.784 50 40 FCGB O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1)C1CC1 1347050 CCCHKPNGSCRVDX-LBPRGKRZSA-N 369.418 0.784 50 40 FCGB COc1ccc(/C=C/C(=O)NNc2cc(=O)n(C)c(=O)n2C)cc1OC 2706525 OJIGEZWVEYPXQF-SOFGYWHQSA-N 360.370 0.258 50 40 FCGB CCCS(=O)(=O)N1CCC[C@H](C(=O)NNc2nc(C)cc(C)n2)C1 40145253 UQGSFYNJUVCIGP-ZDUSSCGKSA-N 355.464 0.988 50 40 FCGB COc1cc(/C=N/NC(=O)Cc2cc(O)n[nH]2)cc(OC)c1OC(C)=O 5481165 CBKGNCKGVGYRQY-CAOOACKPSA-N 362.342 0.751 50 40 FCGB C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NNC(=O)c1ccc(F)cc1 9646117 GFZXTYALVHUHSM-SSDOTTSWSA-N 351.363 0.433 50 40 FCGB O=C(Cn1cnc([N+](=O)[O-])n1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 38177477 AXANLAATOSNVAI-LZWSPWQCSA-N 369.681 0.604 50 40 FCGB O=C(NNC(=S)NCc1ccco1)c1csc(N2CCOCC2)n1 7660865 GTQZBKACNLQOGM-UHFFFAOYSA-N 367.456 0.882 50 40 FCGB O=C(CN1CCOCC1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 409006209 HXKVONKJGHDXEI-LDADJPATSA-N 361.402 0.977 50 40 FCGB Cc1cccc(OCC(=O)NNC(=O)CSc2ncc(C#N)c(N)n2)c1 4126879 NDPPXJUZHWYMHC-UHFFFAOYSA-N 372.410 0.557 50 40 FCGB COCCOC(=O)C1=C(C)NC(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517067 YXLVQQMDYZAEKM-SFHVURJKSA-N 355.350 0.604 50 40 FCGB Cc1nc(CC(=O)NNS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cs1 9963744 SQJRPTUNBUOHAD-UHFFFAOYSA-N 372.384 0.618 50 40 FCGB COc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1Cl 409080722 NVTNFKIEEVBMEN-GFCCVEGCSA-N 373.800 0.997 50 40 FCGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)c1 4942670 RNQBIABSEZUYMM-CYBMUJFWSA-N 369.381 0.352 50 40 FCGB O=[N+]([O-])c1cccc(S(=O)(=O)O[C@@H]2CS(=O)(=O)C[C@H]2Cl)c1 5512631 QELNNWFXKBRINU-NXEZZACHSA-N 355.777 0.705 50 40 FCGB C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NNC(=O)c1cccc(Cl)c1 9780608 NBMFLMXKMZPDGT-SSDOTTSWSA-N 367.818 0.947 50 40 FCGB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 72281650 BTYYJKBKXQPLKH-GXTWGEPZSA-N 362.430 0.503 50 40 FCGB O=C1N=C(O)N(Cc2ccco2)C(=O)/C1=C\NNC(=O)c1ccccc1 17180834 HSGLARVRICOBMU-LCYFTJDESA-N 354.322 0.881 50 40 FCGB O=C(Cc1nnn[nH]1)N/N=C/c1cc2c(cc1Br)OCO2 107590260 QWXHCAUFLMUCGV-YIXHJXPBSA-N 353.136 0.384 50 40 FCGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)O)c1 670428489 DODVISWWBRBGNH-COWZWYNKSA-N 362.382 0.788 50 40 FCGB CCCCOc1ccc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)cc1 1747358 NUWOBSUIMQXWRF-GIJQJNRQSA-N 360.374 0.199 50 40 FCGB O=C(N/N=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)NC1CC1 2409254 CQRSNUOIYBYHLJ-YBFXNURJSA-N 358.398 0.417 50 40 FCGB CCOC(=O)N1CCC[C@@H](C(=O)NNS(=O)(=O)c2ccccc2)C1 32786851 ZXSPCCSCRQQLGN-GFCCVEGCSA-N 355.416 0.865 50 40 FCGB O=C(CCl)NNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 2155457 APINPBPQMYNDEZ-UHFFFAOYSA-N 362.699 0.745 50 40 FCGB NNC(=O)Cn1c(=O)sc2cc(S(=O)(=O)N3CCCCC3)ccc21 4783147 QHLWUZJZVXMVJA-UHFFFAOYSA-N 370.456 0.228 50 40 FCGB CCCC(=O)N1CSC[C@H]1C(=O)NCCCNS(=O)(=O)CCl 76094726 AZBDYOPEONBLDD-JTQLQIEISA-N 371.912 0.310 50 40 FCGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)cn1 252488445 IRWCPIMHXCBLDC-FBCYGCLPSA-N 370.291 0.938 50 40 FCGB CCCCn1nc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1=O 49946635 CTXNJEIWLCPJHJ-UHFFFAOYSA-N 358.354 0.847 50 40 FCGB CC1(C)N(N)C(O)=C[C@@H]2C3=C(NN21)OC(N)=C(C#N)[C@H]3c1cccnc1 245225939 ALJIYQRUPAKNJM-DGCLKSJQSA-N 353.386 0.614 50 40 FCGB NC(=O)COc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1 12531475 GMOGOILTYUCZGI-UHFFFAOYSA-N 357.370 0.227 50 40 FCGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(-n2cnnn2)cc1 7000195 NIQRAUPUFAKSBH-UHFFFAOYSA-N 352.310 0.466 50 40 FCGB CCn1nc(C(=O)NNC(=O)c2ccc(C#N)[nH]2)c2ccccc2c1=O 83834488 WBQZQJSEAVTIAY-UHFFFAOYSA-N 350.338 0.691 50 40 FCGB O=C1CC[C@@H](N2C(=O)c3ccc(CBr)cc3C2=O)C(=O)N1 2171430022 KKYAHCAWCMMYQI-SNVBAGLBSA-N 351.156 0.983 50 40 FCGB COc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 684899 YRXBQFCTORUDDI-UHFFFAOYSA-N 352.354 0.810 50 40 FCGB N=C(Cn1cncn1)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 3470275 LMHPDFGUNSHSNU-UHFFFAOYSA-N 355.280 0.534 50 40 FCGB CN(C)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102314387 CGUZZKOVGVWJIR-GASCZTMLSA-N 370.409 0.465 50 40 FCGB COC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 5162482 IGASSSHCSJLJJU-KRWDZBQOSA-N 351.322 0.450 50 40 FCGB CC1=CC(=O)/C(=C(/C)NNC(=O)c2c(O)c3ccccc3[nH]c2=O)C(=O)O1 227173727 GXUMZZOBUKWBRW-UKTHLTGXSA-N 369.333 0.772 50 40 FCGB O=C(CSc1ncnc2nc[nH]c12)N/N=C1/C(=O)Nc2ccccc21 5387647 INTYSWRIWGVHDM-UHFFFAOYSA-N 353.367 0.918 50 40 FCGB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)c1cnccn1 11528276 JBCRLMMNSFVNFG-MRXNPFEDSA-N 355.398 0.621 50 40 FCGB CC(=O)Nc1ccc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 12915375 ZHIGVIMYFZEHPK-OAHLLOKOSA-N 353.444 0.680 50 40 FCGB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccco1 8238471 DSGYDWBIFMTYDB-VIFPVBQESA-N 362.367 0.168 50 40 FCGB Cn1nc(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c2ccccc2c1=O 12877408 JMOLMSJZZSCONH-OAHLLOKOSA-N 364.361 0.698 50 40 FCGB Cn1cc(Br)cc1C(=O)NNC(=O)CNC(=O)c1ccco1 14111156 ZLYFJIXQVMFROS-UHFFFAOYSA-N 369.175 0.572 50 40 FCGB CS(=O)(=O)CCN(CCS(C)(=O)=O)C[C@@H](CCl)n1cccn1 71921868 USEHQQOHQVLFAM-GFCCVEGCSA-N 371.912 0.054 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@@H]2C3)nnn1-c1nonc1N 217930231 APPZPMBKDSJNKA-RADXNLSJSA-N 371.405 0.222 50 40 FCGB CS(=O)(=O)c1ccc([C@H](O)[C@H](CO)NC(=O)C(Cl)Cl)cc1 608059 OTVAEFIXJLOWRX-UWVGGRQHSA-N 356.227 0.404 50 40 FCGB biogenic,in-man CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cnccn1 11529186 PFMWONAOIDDFMA-CYBMUJFWSA-N 373.438 0.789 50 40 FCGB CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 8778159 GCUYTCAIBYDVPC-UHFFFAOYSA-N 372.429 0.294 50 40 FCGB COc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1 57527432 FLPNCJAEQAXUFO-UHFFFAOYSA-N 368.459 0.659 50 40 FCGB O=C(NNC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)on1)c1ccncc1 66089354 NEEBBFXNZZQUNQ-UHFFFAOYSA-N 357.286 0.297 50 40 FCGB Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](OC[C@H]2CCCO2)C(C)C)n1 69918830 YWVQMVCYQDGCKQ-ZBFHGGJFSA-N 352.435 0.868 50 40 FCGB CCOC(=O)CNC(=O)NN(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 5707085 UXIQKFBGJYFJPF-CYBMUJFWSA-N 355.416 0.457 50 40 FCGB COC(=O)C(C(=O)OC)C1=NC[C@@H](I)CS1 5051699 PSGKTZAQOGMRRO-RXMQYKEDSA-N 357.169 0.898 50 40 FCGB CCCn1nc(C(=O)NNC(=O)C2=COCCO2)c2ccccc2c1=O 17162782 CWTXCUHSQIANQV-UHFFFAOYSA-N 358.354 0.456 50 40 FCGB CSc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1 19831262 LIBKOUCMSYMMPA-CPNJWEJPSA-N 364.471 0.697 50 40 FCGB O=C(NCCN1CCOCC1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 59483815 HVRBAQMTUYETCE-VXLYETTFSA-N 373.240 0.892 50 40 FCGB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NN)c(=O)n2Cc1ccccc1 3278533 RTZPCXVPUYRHOM-UHFFFAOYSA-N 370.413 0.054 50 40 FCGB C=C(C)C(=O)O[C@@H]1[C@@H](O)C(C=O)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@H]12 585660673 HQPSNGXRJBMMAL-QZWWFDLISA-N 362.378 0.771 50 40 FCGB biogenic N#CCC(=O)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 4561879 YTTBQSOQHWTOSE-JAIQZWGSSA-N 353.382 0.864 50 40 FCGB CC(=O)NNC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27104538 LHAPVULJFGPNPL-UHFFFAOYSA-N 358.358 0.096 50 40 FCGB O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)NN=C1CCCC1 4361292 VRVGMSTUPIJOAN-UHFFFAOYSA-N 352.416 0.127 50 40 FCGB CC(C)Cc1nnc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575424147 SHNXDQAXVORBRP-JGVFFNPUSA-N 368.937 1.427 50 40 FCGB O=C(COCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 1752966 BNRBVNZWXAPGCL-LQGKIZFRSA-N 370.365 0.715 50 40 FCGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)Cc2ccccc2)cc1 4691519 OTBOTFUNMBSJHE-UHFFFAOYSA-N 366.377 0.903 50 40 FCGB NN(C(=O)CO/N=C/c1ccccc1)N(N)C(=O)C(Cl)(Cl)Cl 101548286 QSOYZCHKDDVFFQ-UBKPWBPPSA-N 368.608 0.727 50 40 FCGB O=C(NNC(=O)c1ccc(F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 7666832 BUVOTGWKVLTKIZ-UHFFFAOYSA-N 364.358 0.084 50 40 FCGB Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 17074707 LCJGWPANGDUSQE-RNJOBUHISA-N 363.326 0.542 50 40 FCGB C[C@@H](C(=O)NNC(=O)c1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 103465761 QADBQBRCJSCEFC-QJPTWQEYSA-N 359.357 0.926 50 40 FCGB CCCn1c(O)c(C(=O)NNC(=O)C(=O)OCC)c(=O)c2ccccc21 5894457 IXVPJJHFOYPCBD-UHFFFAOYSA-N 361.354 0.441 50 40 FCGB CSc1nc2c(c(=O)[nH]1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)N2 4625693 VAMAYLDYVJVXLK-INIZCTEOSA-N 352.379 0.849 50 40 FCGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccn1 100435097 WQXKWLUYNAUNIS-AINDZBIGSA-N 367.390 0.861 50 40 FCGB COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c(OC)c1 575425473 FMPJVUGWAXLGEH-NXEZZACHSA-N 369.848 0.387 50 40 FCGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2nc3nccc(C)n3n2)c1 48230623 VYKOCAKBLDLHJT-UHFFFAOYSA-N 354.370 0.890 50 40 FCGB C/C(=N/NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1cccnc1 15961600 FZUOYLAUTIBBKG-NXUSMQHESA-N 364.409 0.956 50 40 FCGB Nc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 26974806 YHJJTLAZMCFDEH-CQSZACIVSA-N 358.310 0.778 50 40 FCGB CCOC(=O)CC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100551343 SWCNTNFAXYDEAP-UHFFFAOYSA-N 361.354 0.441 50 40 FCGB COC(=O)[C@@H]1[C@H]2O[C@@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O 104146859 PARDFKQRBDLOAI-YXVPSNDASA-N 357.982 0.784 50 40 FCGB CC(C)c1nnc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575422646 MMMBWBGXDUVVTH-BQBZGAKWSA-N 354.910 1.352 50 40 FCGB C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(O)c2)cc1 9726144 RUQNCBRCCNKMSL-UHFFFAOYSA-N 373.390 0.379 50 40 FCGB CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cc1 584927032 BEOZLYUMXCOZGW-UHFFFAOYSA-N 366.226 0.527 50 40 FCGB O=C(NNc1ccccn1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1 6140758 DBUQWANJMOJQOT-UHFFFAOYSA-N 369.790 0.188 50 40 FCGB NC(=O)COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 15145249 BXYHYQUDDOIILM-UGNSCYDZSA-N 355.350 0.841 50 40 FCGB O=C(NNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccccn1 28095449 GUCBULKDWLZDKG-UHFFFAOYSA-N 366.385 0.197 50 40 FCGB O=C(N/N=C1/C[C@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@H]1O2)c1ccccc1O 105329100 RPJKDOGPGDBVHD-HAAYBBTQSA-N 373.325 0.969 50 40 FCGB O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)c2cccc3cccnc23)C1 575426118 MWMOOBCWZQLFBH-WDEREUQCSA-N 360.844 0.918 50 40 FCGB O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(B(O)O)cc1 584933439 HIXSGPNYNUQIJU-QGZVFWFLSA-N 368.198 0.414 50 40 FCGB COc1ccccc1C(=O)NCC(=O)N/N=C1/C(=O)N(C)c2ccccc21 100721095 SQEXIBVICAIYOJ-OQKWZONESA-N 366.377 0.922 50 40 FCGB O=C(CNC(=O)c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 13001436 PJHCVBZWQVMQKO-HNNXBMFYSA-N 355.350 0.404 50 40 FCGB CS(=O)(=O)c1ccc(C(=O)NNC(=S)NCc2ccco2)cc1 15528050 BNWBLQHSVZHCJO-UHFFFAOYSA-N 353.425 0.992 50 40 FCGB CN(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(F)cc1 6545148 OAULSPNZRBWBTK-VCHYOVAHSA-N 350.375 0.992 50 40 FCGB COc1ccc(C(=O)NNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 9366414 AQKVMRHJIMSYIK-UHFFFAOYSA-N 363.351 0.753 50 40 FCGB COc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O 57352963 ZZEUNFLEEFTZTF-UHFFFAOYSA-N 368.459 0.659 50 40 FCGB Cc1csc(=O)n1CCC(=O)OCC(=O)NNC(=O)c1ccccc1 13006041 GQBKVGVZCOCTRT-UHFFFAOYSA-N 363.395 0.613 50 40 FCGB O=C(NNC(=S)NCCCN1CCOCC1)c1ccc2c(c1)OCO2 23641140 RTEDJKGCTCSYPA-UHFFFAOYSA-N 366.443 0.247 50 40 FCGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2ccccc21 72402735 GXPOIKHZYBVKQA-FQEVSTJZSA-N 360.373 0.791 50 40 FCGB O=C(NNS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1 1887225 PAFRHGMKPOIJGZ-UHFFFAOYSA-N 363.351 0.333 50 40 FCGB Cn1ccc(-c2nc(CNC(=O)c3cc(B(O)O)ccc3F)cs2)n1 1155219535 ZWGLIHGJXDZDJZ-UHFFFAOYSA-N 360.179 0.293 50 40 FCGB Cc1[nH]nc2c1[C@]1(C(=O)N([C@@H](C)C(=O)O)c3ccccc31)C(C#N)=C(N)O2 4631614 MYQRKJDUQMWKMI-NIVTXAMTSA-N 365.349 0.910 50 40 FCGB COCCOC(=O)C1=C(C)N(C)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517053 TXIYMLIAFSKNNR-IBGZPJMESA-N 369.377 0.946 50 40 FCGB CNC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2ccccn2c1=O 5022075 SASGULVLCVICDS-SHFBUDTHSA-N 367.409 0.961 50 40 FCGB COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c1 29754678 KRTQQNMOPYWDMQ-ZDUSSCGKSA-N 363.414 0.969 50 40 FCGB Cc1ccc([C@@H]2C3(C(=O)NC(=O)NC3=O)[C@@]2(C#N)C(N)=C(C#N)C#N)cc1 85409179 ROEGQUKFWBLYKD-YVEFUNNKSA-N 360.333 0.215 50 40 FCGB COCc1c(C(=O)N/N=C(\C)c2cccs2)nnn1-c1nonc1N 15218124 CSAYUMAMTGRXHM-VIZOYTHASA-N 362.375 0.594 50 40 FCGB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/NNC(=O)c1ccncc1 4812632 DIEBMXMECNIPSV-JLHYYAGUSA-N 357.370 0.611 50 40 FCGB O=C(COc1cc(Cl)ccc1Cl)NN=C1C(=O)NC(=O)NC1=O 5630981 HFLKVFYUHZBFEC-UHFFFAOYSA-N 359.125 0.210 50 40 FCGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C1/C(=O)NC(=O)N=C1O)CO2 6762016 SSSKJLXVEIKJHE-NSHDSACASA-N 374.353 0.802 50 40 FCGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 12848448 PMVRAAXHYPIVQL-UHFFFAOYSA-N 367.387 0.726 50 40 FCGB CCOC(=O)N[C@@H]1[C@H](NC(=O)OCC)OC(C#N)=C[C@H]1C(=O)OCC 13406467 RVJXMQWWAAEIET-GRYCIOLGSA-N 355.347 0.790 50 40 FCGB biogenic Nc1nonc1C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 101055157 VJWUPIMHKFOSTH-QLKAYGNNSA-N 371.107 0.792 50 40 FCGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NNC(=O)c1ccncc1 9479689 HBQDEQFIBGXMDL-MBNYWOFBSA-N 363.443 0.568 50 40 FCGB O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccco1 14187854 ZEEUMJSZTGPXFR-MRGVZLDZSA-N 350.338 0.955 50 40 FCGB COc1ccc(/C=N/NC(=O)CCCCCNc2n[nH]c(=O)[nH]c2=O)cc1 1745121 CNOIQISKNRLKQZ-YBFXNURJSA-N 374.401 0.589 50 40 FCGB NC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2 22616742 HOXXKAUHYJNGCN-CYBMUJFWSA-N 370.365 0.456 50 40 FCGB O=C(O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 102614528 IVHMHMTWPYMOST-VZFHVOOUSA-N 369.009 0.993 50 40 FCGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)N(CC(N)=O)c1ccccc12 2497111 NNYXJMJWRANPMR-LJQANCHMSA-N 364.361 0.487 50 40 FCGB Cn1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 3669236 FIEPATZCLFAOOE-UHFFFAOYSA-N 368.693 0.965 50 40 FCGB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)N1CCl)[C@@H]1[C@H]3[C@H]2C(=O)N(CCl)C(=O)[C@@H]21 103874969 YVCOWLFMOQPVIL-HGERKYINSA-N 369.204 0.643 50 40 FCGB COC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2O[C@H]1[C@@H](Br)[C@H]2Br 104146846 PARDFKQRBDLOAI-NLZQRBTFSA-N 357.982 0.784 50 40 FCGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1OC 2262239 FQZZRCAFRBMCIU-REZTVBANSA-N 372.345 0.322 50 40 FCGB O=C(CSc1nnnn1-c1ccccc1F)NNC(=O)c1ccco1 1340434 OHGUUMRPJPSNKI-UHFFFAOYSA-N 362.346 0.948 50 40 FCGB CN(C)c1ccc(/C=N/NC(=O)c2nc(N(C)C)nc(N(C)C)n2)cc1 4081952 ZGKKWKOKGDIINX-WOJGMQOQSA-N 356.434 0.834 50 40 FCGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccco1 2520752 HHKJGLMLAQKXLF-CAOOACKPSA-N 373.377 0.431 50 40 FCGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 6984827 GMXWWBANJFZGJL-GXSJLCMTSA-N 372.422 0.530 50 40 FCGB N#CC1=C(O)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1cccc(OCC(N)=O)c1 8748405 VYZFZUORAAEJIV-DLBZAZTESA-O 365.369 0.586 50 40 FCGB Cc1ccc(OCC(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 4950725 PQONJSRKTLAQLC-UHFFFAOYSA-N 366.381 0.875 50 40 FCGB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccn1 17329394 XFFHCCAQVGWWTP-GFCCVEGCSA-N 362.411 0.987 50 40 FCGB COc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 409084768 XNXUCDZVFHKJSH-CYBMUJFWSA-N 369.381 0.352 50 40 FCGB O=C(O)[C@@H]1[C@@H]2C[C@@H]([C@H](Br)[C@@H]2N2C(=O)CCC2=O)[C@@H]1C(=O)O 1643946 DGUWCGCSFBDQTL-AOTKDQPRSA-N 360.160 0.319 50 40 FCGB in-vitro CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 59488440 BBCWQSRWFVRXRS-RQZCQDPDSA-N 352.347 0.682 50 40 FCGB CCOC(=O)CNC(=O)NNC(=O)c1ccc2c(c1)CN=C(C)N2CC 27516696 YWBCICVVDBMNFV-UHFFFAOYSA-N 361.402 0.952 50 40 FCGB Cc1ccc(C(=O)NNC(=O)CN2CCN(c3ncccn3)CC2)cc1 18709278 QGJUOXCNCZYDOU-UHFFFAOYSA-N 354.414 0.368 50 40 FCGB C[C@H]1CN(CC(=O)NNC(=O)c2ccc(Br)o2)[C@H](C)CO1 48253528 UNSDQHIDRAKVHM-BDAKNGLRSA-N 360.208 0.912 50 40 FCGB COC(=O)Cc1n[nH]c2c1[C@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2 5217333 DMOUTQCUYFEWME-QGZVFWFLSA-N 369.312 0.589 50 40 FCGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 6327607 AILMCZXBWBGGGX-YBFXNURJSA-N 360.414 0.663 50 40 FCGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1ccc(O)cc1O 4824006 YPJXIHQWOKEBEG-MTRWVZMLSA-N 371.349 0.504 50 40 FCGB O=C1NC(=S)N=C(O)/C1=C\NNC(=O)c1cccc(Br)c1 95470953 WXJYWVQVUQUFRW-UHFFFAOYSA-N 369.200 0.939 50 40 FCGB COc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1O 5721069 QBTFXMIBTHMGPJ-LICLKQGHSA-N 363.395 0.829 50 40 FCGB O=C(Cc1ccc(F)cc1)NNC(=O)Cn1ncc2ccccc2c1=O 30577216 ZJSWZCIDAVISFX-UHFFFAOYSA-N 354.341 0.926 50 40 FCGB C=CCNC(=S)NNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 20416365 DQADMMKXNUYOPA-UHFFFAOYSA-N 360.436 0.273 50 40 FCGB Cc1nnc(NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc1O 48354467 AKMVZKOETZTSAO-VIFPVBQESA-N 372.341 0.111 50 40 FCGB Cn1cc(Br)cc1C(=O)NNC(=O)CCN1CCOC1=O 55138325 ZPSYDJQKHZSVTI-UHFFFAOYSA-N 359.180 0.391 50 40 FCGB COc1ccc(NC(=O)/C(=C/NC(=S)NNC(C)=O)C(C)=O)cc1 104304618 JJIUTQFPVGFKEQ-MDWZMJQESA-N 350.400 0.622 50 40 FCGB Cc1cccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c1 20207799 HMSFQNOCLVZTCP-UHFFFAOYSA-N 352.460 0.959 50 40 FCGB COC(=O)CN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 13564355 YXNFAOQCFCNPBY-BJMRFWQKSA-N 367.361 0.760 50 40 FCGB CC(C)c1c(C(=O)N/N=C/c2ccc(O)cc2)nnn1-c1nonc1N 2613173 UBNGRPALHLUJSO-REZTVBANSA-N 356.346 0.825 50 40 FCGB O=C(COC(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 5753895 BKOMTZPLVGTOMW-HNNXBMFYSA-N 374.324 0.970 50 40 FCGB CCOC(=O)CNC(=O)NN(c1ccccc1)[C@H]1CCS(=O)(=O)C1 5828994 UXIQKFBGJYFJPF-ZDUSSCGKSA-N 355.416 0.457 50 40 FCGB COc1ccc(-c2nc(C(=O)NNC(=O)C(=O)NC3CC3)cs2)cc1 10031830 IJPMYVLLEGBODS-UHFFFAOYSA-N 360.395 0.858 50 40 FCGB O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc2c(c1)CCC2 23652417 SECBAYWWHSAUOR-UHFFFAOYSA-N 370.409 0.801 50 40 FCGB CN(C)c1nc(C(=O)N/N=C/c2ccc3c(c2)COC3)nc(N(C)C)n1 28628636 FFHKCQIPLDHDNR-QGMBQPNBSA-N 355.402 0.798 50 40 FCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 6326190 WUAILYFECJYWCN-CIAFOILYSA-N 374.441 0.910 50 40 FCGB CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccn1 17329395 XFFHCCAQVGWWTP-LBPRGKRZSA-N 362.411 0.987 50 40 FCGB Cc1ccccc1OCC(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 32971042 HVITXYJEPIDDDM-UHFFFAOYSA-N 366.377 0.931 50 40 FCGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)N(C)C)cc1 100543704 FAOLUJAHZOBAPC-ZROIWOOFSA-N 360.395 0.729 50 40 FCGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 6327595 LIAJWJDVHLKBIR-YBFXNURJSA-N 360.414 0.663 50 40 FCGB NC(=O)NN/C=C1/C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 19990070 VRSXENHJEOKSGX-YVMONPNESA-N 373.316 0.510 50 40 FCGB CN(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(F)cc1 6544870 MXRCAWQPFVDMET-VCHYOVAHSA-N 350.375 0.992 50 40 FCGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1cccc([N+](=O)[O-])c1 8404770 ANOJAHLUZWOFDB-FRKPEAEDSA-N 371.317 0.603 50 40 FCGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)O)c1 670428490 DODVISWWBRBGNH-VNUKXSOBSA-N 362.382 0.788 50 40 FCGB C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1 9154019 ACFYBERBEDEALD-UHFFFAOYSA-N 373.390 0.379 50 40 FCGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2ccccn2c1=O 2206788 QARKOUXWTKLELJ-WYMLVPIESA-N 365.393 0.740 50 40 FCGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cnccn2)cc1 2245329 KWKVFWKBZXFKCV-QPJJXVBHSA-N 357.395 0.834 50 40 FCGB COc1cc(Br)cc(/C=N/NC(=O)CN2CCOCC2)c1O 59246404 QTCDXOKOWAOVNW-LZYBPNLTSA-N 372.219 0.946 50 40 FCGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)n1 6507324 GEYBBGSJKGBXFJ-UHFFFAOYSA-N 350.400 0.365 50 40 FCGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 6879464 AYTQJFLLJOSQFQ-UDWIEESQSA-N 360.414 0.664 50 40 FCGB NC(=O)c1ccsc1NC(=O)CCC(=O)NNC(=O)c1ccncc1 9952015 PUXROQZSEUNPGC-UHFFFAOYSA-N 361.383 0.422 50 40 FCGB COc1ccc(Br)cc1/C=N/NC(=O)Cn1nnc(N)n1 2320543 LUVNFGISVXSLRT-LHHJGKSTSA-N 354.168 0.177 50 40 FCGB N#Cc1ccccc1OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 12784871 FKPLFZLCKNOFIH-MRXNPFEDSA-N 353.334 0.924 50 40 FCGB CC(C)(C=O)C[C@@H](C#N)/C(=N/NC(N)=O)C(=O)Nc1ccccc1C(N)=O 104291008 NWKZEEJLGRXQMK-VXUOOLODSA-N 372.385 0.503 50 40 FCGB CC1(C)N(N)C(O)=C[C@@H]2C3=C(NN21)OC(N)=C(C#N)[C@@H]3c1cccnc1 16605291 ALJIYQRUPAKNJM-YPMHNXCESA-N 353.386 0.614 50 40 FCGB CN(NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccccc1 8881409 WOXPRFSNJHAVQL-UHFFFAOYSA-N 353.176 0.467 50 40 FCGB COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)Nc3ccccc32)c1 6093503 IRJCZBQNGHAORH-UHFFFAOYSA-N 352.350 0.898 50 40 FCGB CCOC(=O)N[C@H]1[C@@H](C(=O)OCC)C=C(C#N)O[C@H]1NC(=O)OCC 13406474 RVJXMQWWAAEIET-SDDRHHMPSA-N 355.347 0.790 50 40 FCGB biogenic COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccncc2)CC1 59434075 HXWCAZWRXADWHS-KGENOOAVSA-N 367.409 0.889 50 40 FCGB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cc1 584928711 UWENDISCAGVGGY-UHFFFAOYSA-N 366.226 0.527 50 40 FCGB Cc1ncc(CC(=O)NNS(=O)(=O)c2ccc3c(c2)OCCO3)s1 5860382 LOGYNWOQIYUIQE-UHFFFAOYSA-N 369.424 0.775 50 40 FCGB CC(=O)O[C@@H]1[C@H](Br)O[C@@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 6932867 XUZQAPSYNYIKSR-VVBYJNJRSA-N 353.165 0.921 50 40 FCGB Cc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCO3)s1 9364074 OKCPNTIWFOFZAB-UHFFFAOYSA-N 361.379 0.976 50 40 FCGB CCN(CC)CCNC(=O)CCC(=O)NNC(=O)c1cccc(F)c1 199428750 VFXDIFRZSCIROC-UHFFFAOYSA-N 352.410 0.825 50 40 FCGB CCOC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2ccccn2c1=O 2203901 JHZQSQFIHUETEK-WYMLVPIESA-N 367.409 0.916 50 40 FCGB O=C(NNc1ncccn1)c1ccc(C(=O)NNc2ncccn2)cc1 1608268 MZFBXODTRLAPBN-UHFFFAOYSA-N 350.342 0.780 50 40 FCGB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NNC(=O)c1ccncc1 4857547 SSMGYAYCCMNELA-XYOKQWHBSA-N 355.310 0.072 50 40 FCGB Cc1cc(C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 102192670 LCJGWPANGDUSQE-RVMXOQNASA-N 363.326 0.542 50 40 FCGB CSCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 6984831 GMXWWBANJFZGJL-ONGXEEELSA-N 372.422 0.530 50 40 FCGB COC(=O)[C@H]1C[C@H](I)[C@H]2OC(=O)[C@H]1[C@H]2C(=O)OC 104114859 PUKKBIVKQRGBML-TVNFTVLESA-N 368.123 0.314 50 40 FCGB Cc1cc(=O)[nH]c(NNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 12566217 KCSIPQUOMQKACK-UHFFFAOYSA-N 374.357 0.580 50 40 FCGB Cn1nc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2c1=O 12877400 JMOLMSJZZSCONH-HNNXBMFYSA-N 364.361 0.698 50 40 FCGB CC[C@H](COC(=O)CCl)N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 217378530 GBWPZXLENFHQSU-NXEZZACHSA-N 360.259 0.802 50 40 FCGB COc1cc(OC)cc(C(=O)NC(=S)NNC(=O)c2cnccn2)c1 2253906 DWCXLMXDMVCVEN-UHFFFAOYSA-N 361.383 0.443 50 40 FCGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(Br)cc1 942821 ZZOVQBPHELJTHW-VIZOYTHASA-N 366.175 0.304 50 40 FCGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12999648 XFWNYJFVRZSKEG-INIZCTEOSA-N 369.377 0.333 50 40 FCGB NNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 225501744 GBVADOTXIUEFJG-UHFFFAOYSA-N 360.439 0.801 50 40 FCGB CCOc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](C(=O)NN)C3)C2=O)cc1 2389206 OBQPIBPMGXZZMY-IUODEOHRSA-N 360.414 0.419 50 40 FCGB CC(C)(C)NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3246979 PPDZJTLFJWREFD-UHFFFAOYSA-N 353.291 0.179 50 40 FCGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 8091897 ZLBBEVGPKXDSNP-RGVLZGJSSA-N 354.366 0.900 50 40 FCGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3O)C2=O)cc1 100115997 JPYTVFQNYQYHSJ-AWEZNQCLSA-N 355.350 0.967 50 40 FCGB O=C(N/N=C1/C[C@@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@@H]1O2)c1ccccc1O 9460731 RPJKDOGPGDBVHD-YUWFARGWSA-N 373.325 0.969 50 40 FCGB NC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 15145248 BXYHYQUDDOIILM-FCASDWRQSA-N 355.350 0.841 50 40 FCGB CCCc1c(C(=O)N/N=C/c2ccc(O)cc2O)nnn1-c1nonc1N 1845309 BTGQGRCUTVCSSV-REZTVBANSA-N 372.345 0.360 50 40 FCGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc([N+](=O)[O-])cc1 8826579 ICLFKSQVGFRFDG-FRKPEAEDSA-N 371.317 0.603 50 40 FCGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccncc1 7777963 HLHSOHWBQLALFJ-UHFFFAOYSA-N 374.422 0.941 50 40 FCGB CC(=O)O[C@H]1[C@H](C)O[C@@H](Br)[C@H](OC(C)=O)[C@@H]1OC(C)=O 38287865 XUZQAPSYNYIKSR-YTYCZEAOSA-N 353.165 0.921 50 40 FCGB in-vitro COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccco3)C2=O)c1 107655761 KHVHSCFEGFKIMQ-KBSHCFNASA-N 370.321 0.903 50 40 FCGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccncc1 13143059 AXXKSUFRPSDZDO-GIJQJNRQSA-N 355.362 0.905 50 40 FCGB Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102634297 JTZUGBSMMGSGDK-VTPLQMEGSA-N 350.396 0.827 50 40 FCGB CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)N1CCOCC1 3572397 VEZYCWNPKJLAGZ-VCHYOVAHSA-N 350.375 0.325 50 40 FCGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)NCCO 4852708 DOLWNUZHYQAZRX-SSDOTTSWSA-N 364.185 0.017 50 40 FCGB Nc1cc(N)nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1 4126558 BHFDWNPBBHUBJF-UHFFFAOYSA-N 352.807 0.848 50 40 FCGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409381270 FTZCHSJFPQMJQS-KHSSZTOVSA-N 373.365 0.450 50 40 FCGB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NNC(=O)c1ccc2c(c1)CCC2 8984905 QXOSKFYEFVFKCL-UHFFFAOYSA-N 356.382 0.254 50 40 FCGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2=NN(C)C(=O)CC2)cc1 18071824 IXCZUFASEUYQLD-LLVKDONJSA-N 362.386 0.608 50 40 FCGB O=C(CN1CCOCC1)N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1 32124872 CTGYOZOKNJMFOT-YBEGLDIGSA-N 368.415 0.462 50 40 FCGB O=C(O)CNC(=O)Cn1c([P@@](=O)(O)c2ccccc2)nc2ccccc21 101023598 GOABSCBMXVTYIF-UHFFFAOYSA-N 373.305 0.458 50 40 FCGB CCOc1ccc(C(=O)NNC(=O)CSc2ncc(C#N)c(N)n2)cc1 9338905 WGBLOCBGQZQPPX-UHFFFAOYSA-N 372.410 0.882 50 40 FCGB O=C(N/N=C1/C[C@H](n2cc([N+](=O)[O-])cn2)[C@@H]2CO[C@@H]1O2)c1cccc(O)c1 101040697 ZXNAYLOXIQSTLE-UQLZMOIWSA-N 373.325 0.969 50 40 FCGB CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O[C@@H]1Br 2556503 XUZQAPSYNYIKSR-SZRPSHQUSA-N 353.165 0.921 50 40 FCGB CN(C)c1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1 27149470 VLAUUWWXADNHLH-UHFFFAOYSA-N 362.411 0.626 50 40 FCGB CCc1nnc(SCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)[nH]1 7604881 LLQGYRNIEKGGHE-UHFFFAOYSA-N 365.415 0.938 50 40 FCGB O=C(CN1C(=O)COc2ccccc21)NNC(=O)c1n[nH]c2ccccc12 7942732 RCMOKVVSSXMAMD-UHFFFAOYSA-N 365.349 0.750 50 40 FCGB CCOC(=O)C1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 9953153 SQLSTAAZMFPCFR-UHFFFAOYSA-N 368.459 0.417 50 40 FCGB C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)CN1CCCCCC1=O 10416474 HSPKILAEWSDTIV-UHFFFAOYSA-N 370.409 0.663 50 40 FCGB COC(=O)C(C(=O)OC)C1=NC[C@H](I)CS1 5605481 PSGKTZAQOGMRRO-YFKPBYRVSA-N 357.169 0.898 50 40 FCGB CN1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(F)ccc21 79479877 GDGCFFDUODCPRX-SFHVURJKSA-N 354.341 0.926 50 40 FCGB O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccco1 14187856 ZEEUMJSZTGPXFR-FRSZACSASA-N 350.338 0.955 50 40 FCGB O=C(O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 101052680 IVHMHMTWPYMOST-GBNDHIKLSA-N 369.009 0.993 50 40 FCGB CC(C)(C)OC(=O)N1CCC(F)(CNc2ncc(B(O)O)cn2)CC1 169747350 SIGCDELKMARFMV-UHFFFAOYSA-N 354.191 0.308 50 40 FCGB Cc1cccc(OCC(=O)NNCC(=O)NNC(=O)c2ccccc2)c1 103138548 OXYKFSAEYDKHRP-UHFFFAOYSA-N 356.382 0.456 50 40 FCGB COc1ccc(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 5615359 AUPTUWHUQZRMQM-UHFFFAOYSA-N 366.377 0.946 50 40 FCGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1 8091892 GXOPHSIQLJXWPJ-WSDLNYQXSA-N 368.393 0.578 50 40 FCGB N#C/C(C(N)=O)=C1/S[C@@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 101539826 DVSWYHNAOHQQQR-YDZOPUCOSA-N 374.403 0.707 50 40 FCGB CCOC(=O)N[C@H]1OC(C#N)=C[C@@H](C(=O)OCC)[C@H]1NC(=O)OCC 4267637 RVJXMQWWAAEIET-UTUOFQBUSA-N 355.347 0.790 50 40 FCGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1ccc(O)cc1O 2279473 GYDRXDSPDCGYRH-FBCYGCLPSA-N 357.322 0.707 50 40 FCGB COCc1c(C(=O)N/N=C(\C)c2ccccc2)nnn1-c1nonc1N 8443209 CDUPCAHLDQPXSS-RQZCQDPDSA-N 356.346 0.533 50 40 FCGB Cc1csc(=O)n1CC(=O)OCC(=O)NNC(=O)c1cccs1 9550219 CKBZIXMUKIZADI-UHFFFAOYSA-N 355.397 0.284 50 40 FCGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2176759 OEHUMCWLCINYMW-GIDUJCDVSA-N 357.290 0.213 50 40 FCGB O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 13388830 MLLFEIQCENXYEC-UHFFFAOYSA-N 370.387 0.353 50 40 FCGB COc1cc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)c(OC)c2c1OCO2 15107494 HSXNVQVFXKVPGK-JTQLQIEISA-N 370.321 0.734 50 40 FCGB COc1cc(/C=N\NC(=O)[C@@H]2C=NNC2=O)cc(Br)c1O 100948830 XJZDUBJRAXGHGE-BAPSUZRPSA-N 355.148 0.345 50 40 FCGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)COc1ccccc1Cl 8873241 HWQUSGXJINBZNX-RIYZIHGNSA-N 353.726 0.806 50 40 FCGB Nc1nonc1C(=O)N/N=C/c1cc(Br)ccc1OCCO 408719289 KQFWKWAZMFHKEX-GIDUJCDVSA-N 370.163 0.549 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/[C@@H]2C[C@@H]3C=C[C@H]2C3)nnn1-c1nonc1N 9454949 APPZPMBKDSJNKA-AQVYEOMISA-N 371.405 0.222 50 40 FCGB CCOC(=O)c1c(C)[nH]c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1C 12742020 QJEOZTYEDCYASU-LBPRGKRZSA-N 371.459 0.914 50 40 FCGB COc1cccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c1O 2541954 ZKMUYBNPZOXPKP-OMCISZLKSA-N 358.318 0.019 50 40 FCGB O=C(COc1cccc(Cl)c1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 4392954 HSVHYCWDGDOZJO-SNVBAGLBSA-N 360.819 0.691 50 40 FCGB COc1ccc(CCNC(=O)NN[C@@H]2CCS(=O)(=O)C2)cc1OC 12983310 CCNSMLOPCIDLQW-GFCCVEGCSA-N 357.432 0.237 50 40 FCGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccco1 408529376 CTSFRBTTYMLLRC-BJTAHJCFSA-N 358.354 0.878 50 40 FCGB CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NN 1659834 SMLBZHDLCNIUGA-CABCVRRESA-N 362.430 0.918 50 40 FCGB CCOc1ccc(N2C(=O)C[C@H](N3CCC[C@@H](C(=O)NN)C3)C2=O)cc1 13750226 OBQPIBPMGXZZMY-DOMZBBRYSA-N 360.414 0.419 50 40 FCGB S=C(NN1CCOCC1)SSC(=S)NN1CCOCC1 5600070 WMMYVLOTTMRSPJ-UHFFFAOYSA-N 354.548 0.611 50 40 FCGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1cccc([N+](=O)[O-])c1 25763544 XDZXEACSOMZDFF-FRKPEAEDSA-N 371.317 0.603 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/c2cccs2)nnn1-c1nonc1N 2207127 GJFRVVAFQQKQFC-GIDUJCDVSA-N 361.391 0.120 50 40 FCGB C[C@H](Sc1nc(NC(C)(C)C)nc(N2CCOCC2)n1)C(=O)NN 1443454 ZMRPZYBRVVUJGB-VIFPVBQESA-N 355.468 0.389 50 40 FCGB CN(C)C(=O)Cn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)nn1 56971019 LKJUVQUOMXYQAA-UHFFFAOYSA-N 350.766 0.095 50 40 FCGB CC(C)c1c(C(=O)N/N=C/c2cccc(O)c2)nnn1-c1nonc1N 1869596 NTGCOGWPJAIVQG-REZTVBANSA-N 356.346 0.825 50 40 FCGB Cn1nc(C(=O)NNC(=O)COc2ccccc2)c2ccccc2c1=O 3557594 HKLJOTGARVCPJV-UHFFFAOYSA-N 352.350 0.774 50 40 FCGB COc1ccccc1NC(=O)/C(=C\NC(=S)NNC(C)=O)C(C)=O 104304639 IWIKXGXVYCNNKP-FLIBITNWSA-N 350.400 0.622 50 40 FCGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)C(=O)NCCO 4410306 UXVQJRHJMLXWBY-VXLYETTFSA-N 354.794 0.578 50 40 FCGB O=C(CCN1CCCCC1)NNC(=O)Cc1n[nH]c(=O)c2ccccc12 9389891 YVSVKNGVTLHBIN-UHFFFAOYSA-N 357.414 0.489 50 40 FCGB O=C(CSc1nncs1)NNC(=O)[C@H]1COc2ccccc2O1 7194213 WVIJCCFLTQBMEG-SNVBAGLBSA-N 352.397 0.618 50 40 FCGB O=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)Cc1ccccc1 4714031 YBOQBFYICSTUHN-SRZZPIQSSA-N 369.377 0.959 50 40 FCGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccc2c(c1)OCO2 6603038 QUULGHRINCFCLA-UHFFFAOYSA-N 355.350 0.535 50 40 FCGB CC[C@@H](COC(=O)CCl)N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 217378458 GBWPZXLENFHQSU-VHSXEESVSA-N 360.259 0.802 50 40 FCGB O=S1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)c2cccc3cccnc23)C1 575426116 MWMOOBCWZQLFBH-MNOVXSKESA-N 360.844 0.918 50 40 FCGB ClCCN1CC[N+]2(CC1)CC[N+]1(CCN(CCCl)CC1)CC2 44281293 BDMAKGNCGUREDP-UHFFFAOYSA-N 351.366 0.742 50 40 FCGB CCCCNC(=O)NNC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O 2250478 BKKZFMNNCLDRDU-CYBMUJFWSA-N 360.418 0.151 50 40 FCGB O=C(CNC(=O)C1CCCCC1)NNC(=O)c1n[nH]c(=O)c2ccccc12 6909582 MARDBARBHJZSMV-UHFFFAOYSA-N 371.397 0.381 50 40 FCGB O=C(CSc1ccc(Cl)cc1)NNC=C1C(=O)NC(=O)NC1=O 6541743 SICWTEOLIGUAEN-UHFFFAOYSA-N 354.775 0.303 50 40 FCGB O=C(CNC(=O)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 13001438 PJHCVBZWQVMQKO-OAHLLOKOSA-N 355.350 0.404 50 40 FCGB Cc1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)c2c(C)nn(C)c2n1 17074605 LNQAVYSKNCSJMA-NSHDSACASA-N 362.459 0.873 50 40 FCGB C/C(N)=C(\C#N)C(=O)COC(=O)CNS(=O)(=O)c1c(F)cccc1F 104472166 GNSWSHKYFNJSBV-HJWRWDBZSA-N 373.337 0.112 50 40 FCGB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNC(=O)CC#N)C2=O)c(C)c1 408536641 WZBDCDDSWDTPDU-XYOKQWHBSA-N 355.354 0.613 50 40 FCGB O=C(NCCCNC(=O)C(Cl)Cl)c1nc2ccccc2c(=O)[nH]1 60017057 CSUBWMHVIDOPJZ-UHFFFAOYSA-N 357.197 0.963 50 40 FCGB Cc1ccc(S(=O)(=O)NC[C@]23CC[C@](C)(O2)[C@@H]2C(=O)OC(=O)[C@@H]23)cc1 100396620 AXNAZMGNCJOQIB-RMHZUWNSSA-N 365.407 0.911 50 40 FCGB CN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 5753600 KMEOLZMGHLOKKB-PYCFMQQDSA-N 350.378 0.842 50 40 FCGB CCn1c(O)c(C(=O)NNC(=O)CCC(=O)OC)c(=O)c2ccccc21 5903775 FUPPCTSBNDBWKA-UHFFFAOYSA-N 361.354 0.441 50 40 FCGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c1 58884386 CJRDNPYHTRXMTH-KEBDBYFISA-N 370.365 0.648 50 40 FCGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccn1 3248126 IKEKKYOBTSMBKI-UHFFFAOYSA-N 352.350 0.919 50 40 FCGB C/C(=N\NC(=O)CSc1nnnn1-c1ccccc1)c1nonc1C 23402704 FHIOGVLGLPGVLG-OQLLNIDSSA-N 358.387 0.986 50 40 FCGB CC1=CC(=O)/C(=C(/C)NNC(=O)c2cc(C(F)(F)F)nn2C)C(=O)O1 101540290 WGCAYSLPIUHBKS-YRNVUSSQSA-N 358.276 0.977 50 40 FCGB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)/C(C#N)=C(/C)N)CC1=O 104880753 CMLHFMPOUGVDBZ-KLDSGFLGSA-N 357.366 0.917 50 40 FCGB C/C(=N\NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1ccncc1 13510367 AQGHVUBRZGFIKW-QPNANDPSSA-N 364.409 0.956 50 40 FCGB N#C/C(C(N)=O)=C1/S[C@@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 101539835 DVSWYHNAOHQQQR-VMKDRBRPSA-N 374.403 0.707 50 40 FCGB CCn1cc(/C=C/C(=O)NC(=S)NNC(=O)c2cc(C)nn2C)cn1 2745797 XTAXHUSMRPDOEO-AATRIKPKSA-N 361.431 0.294 50 40 FCGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)c1 12973631 GLDDQSVRKRVCRA-UHFFFAOYSA-N 355.441 0.845 50 40 FCGB CCCc1c(C(=O)N/N=C/c2ccccc2OC)nnn1-c1nonc1N 13803650 ZOZFYWQMAUDIPC-GIJQJNRQSA-N 370.373 0.958 50 40 FCGB N#Cc1cc(C#N)c(SCC(=O)NNC(=O)c2ccccc2)nc1N 18218180 DZLOVVXEOULUAL-UHFFFAOYSA-N 352.379 0.960 50 40 FCGB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@@H]3C4C5[C@@]16[C@@H]1C=C[C@H](OO1)[C@]56[C@H]2[C@@H]43 104283722 KNOKLYCOZICOLN-UAIXKBBXSA-N 361.357 0.657 50 40 FCGB O=C(COC(=O)c1ccccc1NCCO)NNC(=O)c1cccs1 9162606 RWMBDENMWCGJMA-UHFFFAOYSA-N 363.395 0.770 50 40 FCGB COC(=O)Cc1n[nH]c2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 5162489 IGASSSHCSJLJJU-QGZVFWFLSA-N 351.322 0.450 50 40 FCGB CC1(C)NC(=O)N(CCC(=O)NNC(=O)Cc2ccc(F)cc2)C1=O 9155700 ONSQGAMRAARPGI-UHFFFAOYSA-N 350.350 0.236 50 40 FCGB COc1ccccc1NC(=O)/C(=C/NC(=S)NNC(C)=O)C(C)=O 104304635 IWIKXGXVYCNNKP-DHZHZOJOSA-N 350.400 0.622 50 40 FCGB O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)NCc2nc3ccccc3[nH]2)C1 575424220 TZAWTKXDIYOOMT-LDYMZIIASA-N 358.876 0.931 50 40 FCGB CC1(C)C(=NNC(=O)C[N+](C)(C)C)C(C)(C)C1=NNC(=O)C[N+](C)(C)C 1627777 LCFZAEWVBIELMF-UHFFFAOYSA-P 368.526 0.409 50 40 FCGB CC(=O)NNC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C 12888389 LNAGKXQAXWBYJD-LBPRGKRZSA-N 363.399 0.587 50 40 FCGB O=NN(C(=O)NCCCl)c1nc(=O)[nH]cc1I 16941265 IXIDAZNXEYGYMM-UHFFFAOYSA-N 371.522 0.811 50 40 FCGB CCOc1ccc(C(=O)NNc2cc(=O)n(C)c(=O)n2C)cc1OCC 2706500 CQDNXGUELUKMKW-UHFFFAOYSA-N 362.386 0.638 50 40 FCGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc(Cl)c1 409157694 WFIZYIVHMALCSH-XDHOZWIPSA-N 352.822 0.629 50 40 FCGB O=C(CCl)NNC(=O)CSc1nnc(NC(=O)CCl)s1 102509673 GJEIOBLIVMOPEZ-UHFFFAOYSA-N 358.232 0.194 50 40 FCGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCC(=O)O 15019894 WMKVWMBGYBLRIP-VCHYOVAHSA-N 365.386 0.331 50 40 FCGB Cc1csc(CC(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)n1 9689819 YOLLJCVGDNJQCZ-UHFFFAOYSA-N 357.399 0.495 50 40 FCGB Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(CO)c3ccccc31)C(C#N)=C(N)O2 2348694 HAMWRFRJBAUGFQ-SFHVURJKSA-N 351.318 0.617 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/c2ccccc2)nnn1-c1nonc1N 2445617 FPMTVKGTWNPYNO-CAOOACKPSA-N 355.362 0.058 50 40 FCGB CCOC(=O)N1CCN(C(=O)C(=O)N/N=C/c2ccccc2F)CC1 4679543 PEKFYHDTAWBDKL-WOJGMQOQSA-N 350.350 0.577 50 40 FCGB NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1 58873246 JYVKWOCUKHUNAK-JJFYIABZSA-N 369.381 0.102 50 40 FCGB COc1ccc(/C=N/NC(=O)Cc2nnc(N)s2)c(OC)c1OC 666146 NHHREYARBNNHKT-FRKPEAEDSA-N 351.388 0.839 50 40 FCGB Cc1ccc(C(=O)NNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 2628759 WSLZEZNYTXSWAO-UHFFFAOYSA-N 352.350 0.459 50 40 FCGB CC(C)c1nnc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575422648 MMMBWBGXDUVVTH-NKWVEPMBSA-N 354.910 1.352 50 40 FCGB COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c(OC)c1 575425477 FMPJVUGWAXLGEH-VHSXEESVSA-N 369.848 0.387 50 40 FCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1n[nH]c(=O)c2ccccc12 3369074 VQRJFGOGXTXDME-CQSZACIVSA-N 366.333 0.524 50 40 FCGB O=C(NNC(=O)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1)[C@@H]1COc2ccccc2O1 5164571 OTSSTXLISJQOFK-XTBFLFJDSA-N 358.350 0.252 50 40 FCGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)Cn2nc(C)cc2C)cc1 12849388 FLHGZWFFJCGINA-UHFFFAOYSA-N 366.399 0.296 50 40 FCGB COc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 4392939 LATBUTREOUJTHQ-NSHDSACASA-N 356.400 0.046 50 40 FCGB COc1ccc(C(=O)NN(C)C(N)=O)cc1S(=O)(=O)NC1CCCC1 95457325 SEWGEZCPQSRKMG-UHFFFAOYSA-N 370.431 0.571 50 40 FCGB Cc1ccc(C(=O)NNC(=O)CSc2nc3c(N)ncnc3[nH]2)cc1 4241870 CUQBLDVKWXHJMD-UHFFFAOYSA-N 357.399 0.797 50 40 FCGB COc1ccc(C(=O)NNC(=O)C(C)C)cc1S(=O)(=O)NC(C)C 15983580 IPSAISDYGXAOHO-UHFFFAOYSA-N 357.432 0.799 50 40 FCGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)Cc1csc(N)n1 100055358 COBPNGFABUDIJJ-ZVBGSRNCSA-N 374.426 0.888 50 40 FCGB C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NNC(=O)c1ccc(F)cc1 9646115 GFZXTYALVHUHSM-ZETCQYMHSA-N 351.363 0.433 50 40 FCGB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)NNC(=O)c1ccccc1O 32933181 OCMQJAHMXYSWRV-UHFFFAOYSA-N 366.337 0.324 50 40 FCGB Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(=O)NN 1625298 RTCPCVSYTWNTMR-UHFFFAOYSA-N 368.806 0.599 50 40 FCGB Nc1nnc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)s1 3601768 NUUKTLHMEVQTTQ-UHFFFAOYSA-N 354.373 0.582 50 40 FCGB C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(Br)o2)[C@H](C)CO1 48253527 UNSDQHIDRAKVHM-RKDXNWHRSA-N 360.208 0.912 50 40 FCGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)N2 409089026 LMZJCPZGCATXLG-LLVKDONJSA-N 354.326 0.243 50 40 FCGB C/C(=N\NC(=O)c1ccc(F)cc1F)c1c(C)nnn1-c1nonc1N 1445445 CBIIDKKVWLSKFS-NGYBGAFCSA-N 362.300 0.973 50 40 FCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 4525684 JQPHKQGPZMNHLY-HZPDHXFCSA-N 356.334 0.814 50 40 FCGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 4697786 QCUJIDNOWTUNML-SFQUDFHCSA-N 361.358 0.391 50 40 FCGB CCCc1c(C(=O)N/N=C(/C)c2ccncc2)nnn1-c1nonc1N 9499874 QTJVFOBSZFUKJJ-NVMNQCDNSA-N 355.362 0.734 50 40 FCGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C\c1cccc(O)c1 31870561 QOSPWZMDUOGUCF-DMOKECBHSA-N 355.350 0.799 50 40 FCGB C/C(=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccs1 5454934 FCGPDZUMSXECEC-MFOYZWKCSA-N 360.399 0.036 50 40 FCGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)ccc1O 3095414 NGVKYACUMWLKEN-REZTVBANSA-N 372.345 0.409 50 40 FCGB C=C(C)Cn1c(SC[C@H](O)CCl)nc2c1c(=O)n(C)c(=O)n2C 1244278 NCNYCYXLHRODKN-SECBINFHSA-N 358.851 0.702 50 40 FCGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2=NN(C)C(=O)CC2)cc1 18071823 IXCZUFASEUYQLD-NSHDSACASA-N 362.386 0.608 50 40 FCGB CS(=O)(=O)C1=N[C@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=N)N1 101426352 ZIFPQBCMWYEGQM-GFCCVEGCSA-N 363.226 0.897 50 40 FCGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1O 7415897 DXCMDPHXDYJEOY-UHFFFAOYSA-N 350.352 0.787 50 40 FCGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@H]1C[C@@H]2C=C[C@@H]1C2 217655127 XKBCEEDBMYXNPR-JMSVASOKSA-N 369.450 0.856 50 40 FCGB CCNC(=S)NNC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 3335703 URWOXFPHFUETIE-UHFFFAOYSA-N 358.489 0.487 50 40 FCGB Cc1[nH]nc2c1[C@]1(C(=O)N([C@H](C)C(=O)O)c3ccccc31)C(C#N)=C(N)O2 4631616 MYQRKJDUQMWKMI-DYBLOJMWSA-N 365.349 0.910 50 40 FCGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(N)=O 18143777 BZJYHTGIWRHERP-OAHLLOKOSA-N 355.354 0.809 50 40 FCGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1cccc(O)c1 1815796 QOSPWZMDUOGUCF-UGNSCYDZSA-N 355.350 0.799 50 40 FCGB C[C@@H](Br)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 4314055 VSRKPOFSZLFLGF-SCSAIBSYSA-N 366.013 0.969 50 40 FCGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1O 4680527 AMJHEQCJPNRZSR-AWQFTUOYSA-N 371.349 0.896 50 40 FCGB Cc1cc(C)n2nc(CC(=O)NNC(=O)COc3ccccc3)nc2n1 6719776 YNUZICAJAIHJDV-UHFFFAOYSA-N 354.370 0.510 50 40 FCGB CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NN 1659837 SMLBZHDLCNIUGA-LSDHHAIUSA-N 362.430 0.918 50 40 FCGB O=[N+]([O-])c1cccc(S(=O)(=O)O[C@H]2CS(=O)(=O)C[C@H]2Cl)c1 5512637 QELNNWFXKBRINU-ZJUUUORDSA-N 355.777 0.705 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/c2cccc(F)c2)nnn1-c1nonc1N 2392215 OQVYXQKARKTHAA-CNHKJKLMSA-N 373.352 0.197 50 40 FCGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)COc1ccc([N+](=O)[O-])cc1 25581641 OJDHHPUKEZCRHG-OQLLNIDSSA-N 363.290 0.666 50 40 FCGB C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)COc1ccc(C#N)cc1 2637390 RWZRQNQBCVWMJK-NSHDSACASA-N 356.338 0.496 50 40 FCGB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=S)NCc1ccccc1 102405006 GONOXFRDFVDYHB-OKILXGFUSA-N 374.466 0.857 50 40 FCGB COc1ccc(CC(=O)NNC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1 5451424 IFHBZKZCCZIFIB-UHFFFAOYSA-N 368.397 0.682 50 40 FCGB Nc1nnnn1CC(=O)N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 2176702 OZOGRRSKBWNMBF-LZWSPWQCSA-N 359.133 0.621 50 40 FCGB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)CC(C)C)c1 12760222 DKKJMXWODSMCHK-UHFFFAOYSA-N 372.399 0.615 50 40 FCGB CCNc1nc(NC(C)C)nc(Oc2ccc(OCC(=O)NN)nn2)n1 26807403 ORAXFVNCWBZBCD-UHFFFAOYSA-N 363.382 0.075 50 40 FCGB O=C(NNS(=O)(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1 84519302 XWHRYSXZJFQOSN-UHFFFAOYSA-N 368.436 0.725 50 40 FCGB COc1ccc(C)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 575422054 LWNBMJVLFBWNFV-UWVGGRQHSA-N 353.849 0.686 50 40 FCGB CCc1nc2ccccc2n1CC(=O)NNC(=O)CNC(=O)c1ccco1 5268838 MIRARXRVZRXJSQ-UHFFFAOYSA-N 369.381 0.769 50 40 FCGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)Nc2ccccc21 6132208 RHVUKSHBOOKENX-UHFFFAOYSA-N 366.377 0.963 50 40 FCGB CC(C)Cc1nnc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1 575424148 SHNXDQAXVORBRP-SFYZADRCSA-N 368.937 1.427 50 40 FCGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1cccc(O)c1 1815794 QOSPWZMDUOGUCF-FCASDWRQSA-N 355.350 0.799 50 40 FCGB COc1nn(CCC(=O)N/N=C/c2c(C)nn(C)c2F)cc1[N+](=O)[O-] 252480023 BSDXTFSZWRFIBX-GIDUJCDVSA-N 353.314 0.521 50 40 FCGB COCCN(C(=O)CCCCl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3278070 TXWJZRSWRQHFJC-UHFFFAOYSA-N 360.842 0.773 50 40 FCGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccc(/C=N/O)nc1 9312104 PFWQBLRJBATKQH-REZTVBANSA-N 354.282 0.884 50 40 FCGB O=C(N/N=C1/C[C@@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@H]1O2)c1cccc(O)c1 105325705 ZXNAYLOXIQSTLE-MZSHQRJASA-N 373.325 0.969 50 40 FCGB COCCOC(=O)C1=C(C)N(C)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517054 TXIYMLIAFSKNNR-LJQANCHMSA-N 369.377 0.946 50 40 FCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccnc2)c2ccccc21 100431708 QDTFREGTIWXLCF-QJOMJCCJSA-N 361.361 0.312 50 40 FCGB O=C(COC(=O)c1ccc(O)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 7062418 FHDRXTYRDXSSJL-UHFFFAOYSA-N 359.294 0.918 50 40 FCGB O=C(N/N=C1/C[C@@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@@H]1O2)c1cccc(O)c1 9353123 ZXNAYLOXIQSTLE-BHXMOHQYSA-N 373.325 0.969 50 40 FCGB CCOC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 6733512 QSCSFGUCMZEWRV-SFHVURJKSA-N 365.349 0.840 50 40 FCGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc(O)cc2)cc1C(=O)O 226856590 IBUZVROALOVLEK-UHFFFAOYSA-N 366.351 0.722 50 40 FCGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 409381506 HFLUNBBDCATFED-QHSOUUPTSA-N 361.310 0.400 50 40 FCGB O=C(CN1CCOCC1)N/N=C/c1cc2c(cc1Br)OCO2 33383744 KEQOZRITKRZTQT-FRKPEAEDSA-N 370.203 0.960 50 40 FCGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(F)cc1F 5287923 UOXNNZYCKXTBAZ-AWQFTUOYSA-N 356.329 0.548 50 40 FCGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccco3)C2=O)c1 107655768 KHVHSCFEGFKIMQ-BEAUZRKQSA-N 370.321 0.903 50 40 FCGB Cc1[nH]nc2c1[C@@]1(C(=O)N([C@H](C)C(=O)O)c3ccccc31)C(C#N)=C(N)O2 4631615 MYQRKJDUQMWKMI-LZVRBXCZSA-N 365.349 0.910 50 40 FCGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1OC 29557331 MHWXOUPTQUNOSD-LBPRGKRZSA-N 361.398 0.866 50 40 FCGB COC(=O)[C@@H]1C[C@@H](I)[C@H]2OC(=O)[C@H]1[C@H]2C(=O)OC 104114865 PUKKBIVKQRGBML-FMDGEEDCSA-N 368.123 0.314 50 40 FCGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1O 5047148 OZPABDJRISOGLX-DSSNYXJPSA-N 355.778 0.800 50 40 FCGB CC(C)Cc1nnc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575424149 SHNXDQAXVORBRP-YUMQZZPRSA-N 368.937 1.427 50 40 FCGB COC(=O)CC1=C(C(=O)OC)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 1293780 IQUQOCCVWLOEGA-GOSISDBHSA-N 369.333 0.591 50 40 FCGB COc1cc(C(=O)NCC(=O)N/N=C/c2cccnc2)cc(OC)c1OC 2267231 CPTCUNZTICEPKQ-UFFVCSGVSA-N 372.381 0.988 50 40 FCGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N/NC(=O)C(=O)NCCO 4901072 GPMXUDBWBQDZAP-NKVSQWTQSA-N 374.319 0.635 50 40 FCGB COC(=O)CN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 13564357 YXNFAOQCFCNPBY-PBEQFFAXSA-N 367.361 0.760 50 40 FCGB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/NNC(=O)c1ccncc1 9329759 CTHZQAAXZOHCMU-JLHYYAGUSA-N 351.322 0.483 50 40 FCGB CC1(C)O[C@@H](CI)[C@@H](COS(C)(=O)=O)O1 1715261 BIVYTAAGFCNNLG-NKWVEPMBSA-N 350.174 0.918 50 40 FCGB CC(C)(c1ccc(OCC(=O)NN)cc1)c1ccc(OCC(=O)NN)cc1 31847264 ZJVUYXYOJYBTRX-UHFFFAOYSA-N 372.425 0.750 50 40 FCGB COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c1 6211802 OSUZTJIHXNJVTH-XLNRJJMWSA-N 366.377 0.922 50 40 FCGB CC(=O)NNC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C 12888396 LNAGKXQAXWBYJD-GFCCVEGCSA-N 363.399 0.587 50 40 FCGB COC(=O)c1ccc(N/N=C2\C(=O)N(CCO)C(=O)C(C#N)=C2C)cc1 13777631 ZDEXPYDZAGIFEC-ZHZULCJRSA-N 356.338 0.442 50 40 FCGB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(B(O)O)cc1 584935233 CTHRERPPKNGLQH-UHFFFAOYSA-N 366.226 0.923 50 40 FCGB COc1cc(OC)cc(C(=O)NNC(=O)CSc2nnc(C)[nH]2)c1 7604879 XMZLBSYATFVBBD-UHFFFAOYSA-N 351.388 0.684 50 40 FCGB O=C(CNC(=O)c1cccs1)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 15884921 XBIDPPJBWVYKEM-UHFFFAOYSA-N 373.350 0.859 50 40 FCGB Nc1nnn(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)n1 2317799 AREBMBPRCBEJGI-VXLYETTFSA-N 351.370 0.985 50 40 FCGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 6578717 UOXIHTCYYMRKQQ-RGVLZGJSSA-N 354.366 0.900 50 40 FCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(F)cc2)n(C)c1 40013745 VZIYVVLZSKYUBN-UHFFFAOYSA-N 354.363 0.147 50 40 FCGB CN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 102790586 HOCNGBBDWIGIGQ-MFGUYFGASA-N 352.350 0.906 50 40 FCGB C/C(=N\NC(=O)Cn1nc([N+](=O)[O-])cc1C)c1ccc(-n2ncnn2)cc1 9288343 HILCPMKEIZKMTP-WOJGMQOQSA-N 369.345 0.616 50 40 FCGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409381278 FTZCHSJFPQMJQS-UHQDVWGKSA-N 373.365 0.450 50 40 FCGB CC[C@H](NC[C@@H](O)Cn1cc(/C=N/NC(N)=O)c2ccccc21)C(=O)O 28295718 WWFZYZDHQITDEN-DKYOTQQISA-N 361.402 0.457 50 40 FCGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(OC)c1OC 3009246 LBMHDAWXKZYFGL-BFNDQCEFSA-N 365.386 0.458 50 40 FCGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 5774750 HKOSOWQYIAYLCJ-RQZCQDPDSA-N 361.379 0.844 50 40 FCGB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2CC2)cc1 12780494 NQQJYYOCLDEUOC-UHFFFAOYSA-N 353.400 0.067 50 40 FCGB Cc1nn(C)c(C)c1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 12982764 AUNUHWUWKXITQF-UHFFFAOYSA-N 354.370 0.359 50 40 FCGB Cc1cccc(NC(=O)NCC(=O)NNC(=O)Cn2nc(C)cc2C)c1 32681357 COBZJPLTRUCHAM-UHFFFAOYSA-N 358.402 0.777 50 40 FCGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 409379383 WOSCDZITZCMZDW-JURCDPSOSA-N 357.366 0.929 50 40 FCGB Cc1occc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 5966345 QQTYAWDKQMKUAN-UHFFFAOYSA-N 351.384 0.913 50 40 FCGB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NNC(=O)c1ccccc1 3497452 JEKKFBQVNIPXPW-HNNXBMFYSA-N 356.334 0.831 50 40 FCGB COc1ccc(C(=O)NNS(=O)(=O)c2c(C)noc2C)cc1OC 7428695 UPPXOPWXYOKYJT-UHFFFAOYSA-N 355.372 0.932 50 40 FCGB COc1ccc(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)cc1 12804502 FMQMZKTWITVQNL-UHFFFAOYSA-N 357.413 0.237 50 40 FCGB CCn1ncc(/C=N/NC(=O)CCn2cc([N+](=O)[O-])c(OC)n2)c1F 252491929 LZSLIEUOTJHJKG-GIDUJCDVSA-N 353.314 0.696 50 40 FCGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1O 20228172 QAEYCTBPBSOFBJ-LZYBPNLTSA-N 372.219 0.946 50 40 FCGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(Br)cc1 3456362 BCOHZGMQXZZJEZ-JTQLQIEISA-N 357.208 0.903 50 40 FCGB C/C(N)=C(\C#N)C(=O)COC(=O)CNC(=O)c1cccc(OC(F)F)c1 104644612 LQKPSUGPRKPIFZ-XFXZXTDPSA-N 367.308 0.886 50 40 FCGB COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 5514436 SMDDYJWCXNZOTJ-SXGUVYOMSA-N 350.331 0.349 50 40 FCGB C=CC(=O)N(C)CC(=O)NNC(=O)c1ccc(F)cc1Br 1626202544 ORUZWRLPEWIQFX-UHFFFAOYSA-N 358.167 0.994 50 40 FCGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2O)c2ccccc21 6211804 JLDQDOSOUFWXBU-PGMHBOJBSA-N 352.350 0.619 50 40 FCGB CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1 7726006 OCFOSQMMLYVSDJ-UHFFFAOYSA-N 354.215 0.828 50 40 FCGB N#Cc1ccccc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 12971949 VCHNKPJDPDRCAN-CQSZACIVSA-N 359.363 0.708 50 40 FCGB CC[C@@H](NC[C@H](O)Cn1cc(/C=N/NC(N)=O)c2ccccc21)C(=O)O 28295720 WWFZYZDHQITDEN-IXUHNOSYSA-N 361.402 0.457 50 40 FCGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)CCO)cc1 100543700 NNLZZVUHMMMROK-ZROIWOOFSA-N 361.379 0.245 50 40 FCGB C[C@H](Br)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 4314053 VSRKPOFSZLFLGF-BYPYZUCNSA-N 366.013 0.969 50 40 FCGB CCOc1ncccc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 7778925 YNPPPFZFDCFBGU-UHFFFAOYSA-N 367.365 0.802 50 40 FCGB O=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1)NCc1ccco1 7939737 KVAFZISQJYGHFN-UHFFFAOYSA-N 373.365 0.680 50 40 FCGB O=C(CCNC(=O)c1ccccc1)NNC(=S)NC[C@H]1CCCO1 15900283 XWXUWNTVLJBSMG-CYBMUJFWSA-N 350.444 0.481 50 40 FCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 18022702 JQPHKQGPZMNHLY-IYBDPMFKSA-N 356.334 0.814 50 40 FCGB O=C(COC(=O)c1ccccc1NCCO)NNC(=O)c1ccccc1 5278038 YYPJHDVOQKTCAX-UHFFFAOYSA-N 357.366 0.709 50 40 FCGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccnc2)c2ccccc21 5967930 DUROQYLIHMCDSD-JWGURIENSA-N 351.366 0.698 50 40 FCGB O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C\c1ccccc1C(F)(F)F 12375304 RGJFQPZNXFVRMG-DVZOWYKESA-N 356.264 0.039 50 40 FCGB O=C(NNC(=O)c1cc(O)nc(O)n1)c1ccc(Br)cc1 408718454 OWCIGOLQLYGJCI-UHFFFAOYSA-N 353.132 0.725 50 40 FCGB CCCc1c(C(=O)N/N=C/c2cccc(O)c2)nnn1-c1nonc1N 1898261 IQWIPLKZGBETSC-CAOOACKPSA-N 356.346 0.655 50 40 FCGB CN(CC(=O)NNC(=O)c1cccc(O)c1)S(=O)(=O)c1cccs1 12917598 RQADCMVHQZRUFB-UHFFFAOYSA-N 369.424 0.535 50 40 FCGB COc1ccc(C(=O)NNC(=O)COC(=O)c2cc(CO)oc2C)cc1 9453326 KTTUCMHWMPZPNL-UHFFFAOYSA-N 362.338 0.707 50 40 FCGB NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 19914020 VZRFDKHBVRRDNT-UHFFFAOYSA-N 374.466 0.797 50 40 FCGB COCCCOCC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 95462885 UYVLDQUNLXQFPU-UHFFFAOYSA-N 372.447 0.102 50 40 FCGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 409381512 HFLUNBBDCATFED-YRORDHRNSA-N 361.310 0.400 50 40 FCGB COc1cc(CCC(=O)NCC(=O)NNC(C)C)cc(OC)c1OC 1671103 WEMCVMXDEVVEQE-UHFFFAOYSA-N 353.419 0.790 50 40 FCGB CCOC(=O)N[C@@H]1OC(C#N)=C[C@@H](C(=O)OCC)[C@H]1NC(=O)OCC 4267640 RVJXMQWWAAEIET-IJLUTSLNSA-N 355.347 0.790 50 40 FCGB biogenic CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 409379385 WOSCDZITZCMZDW-VIRABCJISA-N 357.366 0.929 50 40 FCGB COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1[N+](=O)[O-] 4703110 MXVKUGZPMODTIA-VXLYETTFSA-N 357.326 0.765 50 40 FCGB CCc1sc(C(=O)NNC(=O)CN2CCn3c(C)nnc3C2)cc1C 69621133 SNDKOYVEDIHFBU-UHFFFAOYSA-N 362.459 0.796 50 40 FCGB CSc1nc(C)c(CCC(=O)NNC(=O)C(=O)NC2CC2)c(C)n1 8403111 JXNXZPVWGWPGGH-UHFFFAOYSA-N 351.432 0.174 50 40 FCGB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)N[C@H](Cl)CP(=O)(O)O)cc1 230143168 LGFSKMHJXYFVNI-VWYCJHECSA-N 354.683 0.321 50 40 FCGB Cc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 575424416 ADQPNNSSCDCBHN-ZJUUUORDSA-N 367.832 0.376 50 40 FCGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)C(=O)Nc1cccc(C)c1 4697788 WWMIMETVYBCMPY-XSFVSMFZSA-N 373.413 0.116 50 40 FCGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 58882094 LYEIHCILBPNRRB-KEBDBYFISA-N 354.366 0.948 50 40 FCGB C/C(NNC(=O)c1ccncc1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 9319542 HDWQFNQJEMAVGE-SDNWHVSQSA-N 365.349 0.873 50 40 FCGB CCOC(=O)c1c(C)[nH]c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1C 12742018 QJEOZTYEDCYASU-GFCCVEGCSA-N 371.459 0.914 50 40 FCGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1 58873948 JBADLQMSDYTJSF-SRZZPIQSSA-N 370.365 0.400 50 40 FCGB N#CC1=C(N)O[C@@H]2NC(=O)NC(=O)[C@H]2[C@H]1c1cc2c(cc1Cl)OCO2 5749109 QDZQRQTYEDHFPD-WDMOLILDSA-N 362.729 0.658 50 40 FCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccco2)c2ccccc21 5624544 JSHLOJXKQBNQSX-PGMHBOJBSA-N 350.334 0.510 50 40 FCGB CN1C(=O)/C(=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccc21 18266006 WXHJVXZWMUYEGJ-CAPFRKAQSA-N 361.365 0.837 50 40 FCGB O=S1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)c2cccc3cccnc23)C1 575426115 MWMOOBCWZQLFBH-GHMZBOCLSA-N 360.844 0.918 50 40 FCGB O=C1N=C(O)N(Cc2ccccc2)C(=O)/C1=C/NNC(=O)c1ccncc1 9007748 XJPGPADPOYFNTH-GXDHUFHOSA-N 365.349 0.683 50 40 FCGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 6224649 UHJCRWWINCUVHR-XDTLVQLUSA-N 350.375 0.057 50 40 FCGB O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CC1 1345850 WOLCIMXHNJRVRN-OAHLLOKOSA-N 365.455 0.786 50 40 FCGB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 5327803 CQJXNODAGNUSGR-ZROIWOOFSA-N 360.395 0.729 50 40 FCGB COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1 29754679 KRTQQNMOPYWDMQ-CYBMUJFWSA-N 363.414 0.969 50 40 FCGB CC(=O)NNC(=S)N/C=C(\C(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 8665299 XJMPYXIRXRSTAV-KPKJPENVSA-N 365.371 0.521 50 40 FCGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 5946034 PYSSWMLTPKMWPH-AWQFTUOYSA-N 358.329 0.779 50 40 FCGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)COc1ccccc1[N+](=O)[O-] 8873246 RCMPNOWKALXMEA-MDWZMJQESA-N 364.278 0.061 50 40 FCGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1 17074515 DODVISWWBRBGNH-MQFWEAQZSA-N 362.382 0.788 50 40 FCGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@@H]1C[C@@H]2C=C[C@@H]1C2 217655045 XKBCEEDBMYXNPR-LALPHHSUSA-N 369.450 0.856 50 40 FCGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNC(=O)c1ccc([N+](=O)[O-])cc1 16693836 AGLYKRICFOSBSO-JYRVWZFOSA-N 355.310 0.552 50 40 FCGB Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1ccccc1Cl 32855694 YKUVYUZVKBTTFN-UHFFFAOYSA-N 361.832 0.881 50 40 FCGB CN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2)c2ccccc21 6211792 GNZQZZPBPBEXCV-PYCFMQQDSA-N 366.377 0.679 50 40 FCGB Cc1c(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 33929602 YZIPLHDGSIRASV-UUASQNMZSA-N 357.290 0.213 50 40 FCGB CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccc(B(O)O)cc1 203692109 WSUSOKNCXVRUPU-UHFFFAOYSA-N 366.072 0.194 50 40 FCGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CN1CCOCC1 408735754 WQGPAVHHJINMLL-CXUHLZMHSA-N 352.347 0.394 50 40 FCGB O=[N+]([O-])c1cccc(S(=O)(=O)O[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c1 2404755 QELNNWFXKBRINU-VHSXEESVSA-N 355.777 0.705 50 40 FCGB CNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2ccccn2c1=O 13122078 SASGULVLCVICDS-DAYCUQBRSA-N 367.409 0.961 50 40 FCGB O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 7986269 USVKCFQYVFZHNK-UHFFFAOYSA-N 374.846 0.920 50 40 FCGB Cn1cccc1C(=O)NNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 40033602 KAMRANWBRPPXEW-UHFFFAOYSA-N 352.398 0.969 50 40 FCGB Cn1nc(C(=O)NNC(=O)c2ccc(Br)cc2)ccc1=O 8778181 BBPQESKJBHAZOM-UHFFFAOYSA-N 351.160 0.618 50 40 FCGB Cn1nc(C(=O)NNS(=O)(=O)c2ccccc2)c2ccccc2c1=O 16095035 TXKHPPHPUSFCEA-UHFFFAOYSA-N 358.379 0.557 50 40 FCGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccco3)C2=O)cc1 408529240 CMFBCSWLEMLMBI-BEAUZRKQSA-N 370.321 0.903 50 40 FCGB COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1O 2542051 YFQDZBXEBMKFRY-OMCISZLKSA-N 358.318 0.019 50 40 FCGB Cc1ccc([C@@H]2C3(C(=O)NC(=O)NC3=O)[C@]2(C#N)C(N)=C(C#N)C#N)cc1 85409173 ROEGQUKFWBLYKD-SJCJKPOMSA-N 360.333 0.215 50 40 FCGB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1ccc(Cl)cc1 2622875 ZWXRJSJMJYYZTP-UHFFFAOYSA-N 372.768 0.804 50 40 FCGB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cccnc1 3404690 HVWSZUPWMMQPBK-UHFFFAOYSA-N 368.802 0.475 50 40 FCGB Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12987186 KOAVLLUIOLGKRK-GUYCJALGSA-N 363.439 0.975 50 40 FCGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1O 5047149 OZPABDJRISOGLX-NZWFQIHVSA-N 355.778 0.800 50 40 FCGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1ccc(OCC(N)=O)cc1 409201578 MSSWQWQFCIJRHB-FXBPXSCXSA-N 360.330 0.114 50 40 FCGB COC(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 7814568 HTNXVUXEIBRKTM-UHFFFAOYSA-N 353.150 0.697 50 40 FCGB O=C(NNC(=O)c1nn(-c2ccccc2F)c2c1CCC2)C(=O)NC1CC1 89821304 NJDQRMWSVUZZNG-UHFFFAOYSA-N 371.372 0.540 50 40 FCGB O=C(NNC(=O)c1cc(O)nc(O)n1)c1ccc(Cl)c([N+](=O)[O-])c1 408718492 RHHOWYHFPOUJRU-UHFFFAOYSA-N 353.678 0.524 50 40 FCGB COc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc(OC)c1OC 17441261 QDBKDPJZDJADIA-SRZZPIQSSA-N 372.381 0.874 50 40 FCGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc2c(c1)COC2=O 100552444 QVAAUWMVCUIBAC-XSFVSMFZSA-N 354.322 0.326 50 40 FCGB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@@]16[C@@H]1C=C[C@H](OO1)[C@]56[C@H]2[C@@H]43 104283734 KNOKLYCOZICOLN-LRGZPBBRSA-N 361.357 0.657 50 40 FCGB CC(C)N1C(=O)/C(=N\NC(=O)CCC(=O)NN)c2cc(Cl)ccc21 27986361 FVSTYXXJNBPWPU-ZHZULCJRSA-N 351.794 0.685 50 40 FCGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(N)=O 32513754 BZJYHTGIWRHERP-HNNXBMFYSA-N 355.354 0.809 50 40 FCGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1O 15225790 YSCIAZGMPSLNOS-PXNMLYILSA-N 372.219 0.946 50 40 FCGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C1/C(=O)NC(=O)N=C1O 3034144 ZAQWLVBBOHCDLE-UHFFFAOYSA-N 363.286 0.269 50 40 FCGB Cc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1 20207982 NCRXMEMZCZDBMO-UHFFFAOYSA-N 352.460 0.959 50 40 FCGB COc1ccc(-c2nc(C)c(C(=O)NNC(=O)CO)s2)cc1OC 95465032 SLGSEOVLSVRMIZ-UHFFFAOYSA-N 351.384 0.889 50 40 FCGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@@H]1C[C@H]2C=C[C@@H]1C2 217655202 XKBCEEDBMYXNPR-YWPYICTPSA-N 369.450 0.856 50 40 FCGB NNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 4534201 IJJWOSAXNHWBPR-SLEUVZQESA-N 371.507 0.379 50 40 FCGB O=C(NN[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)c1ccncc1 18222678 XWYALXPCYTWUOD-ZDUSSCGKSA-N 355.310 0.556 50 40 FCGB COc1ccc(C(=O)NNC(=O)c2cc(C)nn2C)c(C(=O)O)c1OC 71784890 FHJOMHJEARHKHW-UHFFFAOYSA-N 362.342 0.519 50 40 FCGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccco1 408529385 CTSFRBTTYMLLRC-QUMFLEBVSA-N 358.354 0.878 50 40 FCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 58873341 PRWZTHJETBIWQH-KEBDBYFISA-N 362.430 0.812 50 40 FCGB Cc1cc(-c2nnc(SCC(=O)NN)n2C[C@H]2CCCO2)nn1C 4294119 HZIUPBMEEVYDGY-SNVBAGLBSA-N 351.436 0.248 50 40 FCGB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccco1 9909093 DSGYDWBIFMTYDB-SECBINFHSA-N 362.367 0.168 50 40 FCGB Cc1csc(=O)n1CC(=O)NNC(=O)CCNC(=O)c1ccccc1 9952030 DYRHJNXRPMLDGW-UHFFFAOYSA-N 362.411 0.186 50 40 FCGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)c1 4942671 RNQBIABSEZUYMM-ZDUSSCGKSA-N 369.381 0.352 50 40 FCGB COc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1[N+](=O)[O-] 12753372 NCIPZRHTHBTVQA-LLVKDONJSA-N 357.388 0.709 50 40 FCGB Cn1nc(C(=O)NNC(=O)COc2ccccc2F)c2ccccc2c1=O 3613920 DYOOHXJSZRVCMJ-UHFFFAOYSA-N 370.340 0.913 50 40 FCGB CC(C)Cc1nnc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1 575421440 IHHBRCOTBJQJCQ-SFYZADRCSA-N 352.869 1.263 50 40 FCGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)N2 409085306 YVBNNAYRLCYUSA-NSHDSACASA-N 354.326 0.243 50 40 FCGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c(Cl)cccc1Cl 942526 TUSNJSOVEYSJJP-OMCISZLKSA-N 356.169 0.848 50 40 FCGB NC(=O)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccco1 17211349 YDIMTPKQHUYZDL-JFENUBAZSA-N 372.297 0.943 50 40 FCGB CSCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12920246 ZXHFDGCLNBZRTA-UHFFFAOYSA-N 371.484 0.985 50 40 FCGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc2c(c1)OCO2 2568837 SLAZOVLTOGQCNP-FZSIALSZSA-N 356.302 0.034 50 40 FCGB O=C(COc1ccc(Cl)cc1)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 4749926 UWSSBCFVPUUFKY-JTQLQIEISA-N 360.819 0.691 50 40 FCGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1O 8218886 AXNIGDPFOYDTRR-GIDUJCDVSA-N 356.176 0.892 50 40 FCGB COc1ccc(C(=O)NCC(=O)NNC(=O)Cc2ccccc2)cc1OC 10215757 MSFNEQPZLJXOJJ-UHFFFAOYSA-N 371.393 0.824 50 40 FCGB Cc1c(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)nnn1-c1nonc1N 33921346 SANPLBLDIDELQP-UUASQNMZSA-N 357.290 0.213 50 40 FCGB O=C(NNC(=S)NC1CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5699475 QSIHOCZFUVRNJS-UHFFFAOYSA-N 365.415 0.703 50 40 FCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1 5633232 PJNCWWIZNLLXSZ-YBFXNURJSA-N 360.414 0.663 50 40 FCGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccn1 100435103 WQXKWLUYNAUNIS-NJDFMEINSA-N 367.390 0.861 50 40 FCGB NC(=O)N/N=C(\c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccco1 104291250 YDIMTPKQHUYZDL-OTGIAGGSSA-N 372.297 0.943 50 40 FCGB Cc1cc(C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 17074706 LCJGWPANGDUSQE-LOWDOPEQSA-N 363.326 0.542 50 40 FCGB Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cncc(Br)c1 71282855 DBJFKJWACIJWOX-UHFFFAOYSA-N 374.220 0.807 50 40 FCGB COC(=O)[C@@H]1C[C@H](I)[C@H]2OC(=O)[C@H]1[C@H]2C(=O)OC 104114852 PUKKBIVKQRGBML-OZRXBMAMSA-N 368.123 0.314 50 40 FCGB O=C(NNS(=O)(=O)c1ccccc1)c1csc(N2CCOCC2)n1 7384508 PCEVSVPNQJCNML-UHFFFAOYSA-N 368.440 0.603 50 40 FCGB CN1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(F)ccc21 80338068 GDGCFFDUODCPRX-GOSISDBHSA-N 354.341 0.926 50 40 FCGB O=C1CC(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)=NN1c1ccccc1 217383177 MDCRZGJLBYXZLE-GFCCVEGCSA-N 369.830 0.991 50 40 FCGB CN1CCC(=NNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 409148216 XRPKVNGCEQBANU-UHFFFAOYSA-N 356.423 0.790 50 40 FCGB C/C(=N/NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1ccncc1 973017 AQGHVUBRZGFIKW-GLFIFPSUSA-N 364.409 0.956 50 40 FCGB O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 7006961 ZGLIRWSJPIIGHH-UHFFFAOYSA-N 367.321 0.766 50 40 FCGB O=C(COC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)c1cccs1 9499731 OPLUZKQJHDBLDJ-UHFFFAOYSA-N 372.366 0.342 50 40 FCGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 5946986 WGZFJTVUDYONMK-SRZZPIQSSA-N 354.366 0.317 50 40 FCGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccnc1 18193303 LWIOTABKFGSDDP-BUESGFEBSA-N 367.390 0.861 50 40 FCGB Cc1cccc(OCC(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)c1 12977020 NYMOCOIBGIKJGS-UHFFFAOYSA-N 366.377 0.931 50 40 FCGB C=CCc1cccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c1O 8442558 LJURHNPZERJBPB-QGMBQPNBSA-N 368.357 0.739 50 40 FCGB Nc1nnnn1CC(=O)N/N=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 33958763 IWVCFOBCUVOVFZ-NGYBGAFCSA-N 367.325 0.336 50 40 FCGB CC(=O)NNC(=S)N/C=C(/C(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 104305196 XJMPYXIRXRSTAV-GHXNOFRVSA-N 365.371 0.521 50 40 FCGB O=C(NN=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1nc[nH]n1 254872762 YBBFIRYKLAESDO-UHFFFAOYSA-N 350.294 0.712 50 40 FCGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccc(O)cc1O 408732811 ZOUBKJBPDIFOJZ-GIDUJCDVSA-N 369.790 0.819 50 40 FCGB CN1C(=O)/C(=N/NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 13774457 HOCNGBBDWIGIGQ-HSOQAPQFSA-N 352.350 0.906 50 40 FCGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(OCC(N)=O)cc2)[C@@H]2CNCC=C12 27129826 VQXHEKIWRAOMOU-SJLPKXTDSA-N 374.404 0.564 50 40 FCGB CC1(C)CC(=O)C(=CNCCN2CCN(C(=O)CCl)CC2)C(=O)C1 100429127 LYTIROLEMFJIDJ-UHFFFAOYSA-N 355.866 0.801 50 40 FCGB CC(=O)Nc1ccc(S(=O)(=O)SC[C@@H](NC(C)=O)C(=O)O)cc1 2057754 PCQKLIJGTUJCAD-GFCCVEGCSA-N 360.413 0.656 50 40 FCGB COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1O 5720208 JOTDSUQVGNDNDT-LICLKQGHSA-N 363.395 0.829 50 40 FCGB CC[C@@H](NC[C@@H](O)Cn1cc(/C=N/NC(N)=O)c2ccccc21)C(=O)O 28295716 WWFZYZDHQITDEN-NFFVGTMZSA-N 361.402 0.457 50 40 FCGB O=C(CCCC[C@@H]1CCSS1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 2362801570 XYMKZJBNSITKKA-IPQFXONNSA-N 368.473 0.044 50 40 FCGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)COc1ccccc1[N+](=O)[O-] 8873233 NZCQUZABVIRZQZ-OQLLNIDSSA-N 363.290 0.666 50 40 FCGB COc1ccc2ccccc2c1/C=N\NC(=O)CNc1n[nH]c(=O)[nH]c1=O 12371502 TXWPFYSIHLVQGZ-UWVJOHFNSA-N 368.353 0.182 50 40 FCGB COc1ccc(OCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 2628245 UYUARCNOWYELLD-UHFFFAOYSA-N 368.349 0.772 50 40 FCGB O=C(N/N=C1/C[C@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@H]1O2)c1cccc(O)c1 105325702 ZXNAYLOXIQSTLE-KSOFUFSISA-N 373.325 0.969 50 40 FCGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2nonc2N)c1[N+](=O)[O-] 408720554 UGADHWAISISHRW-PJQLUOCWSA-N 364.274 0.258 50 40 FCGB O=C(N/N=C/c1cccc(OCC(=O)N2CCCC2)c1)C(=O)NC1CC1 409264863 GPPQBMLTNRSTHA-YBFXNURJSA-N 358.398 0.417 50 40 FCGB Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2C[C@H](O)CCl 647512 URRVBYLNNMQBCZ-LLVKDONJSA-N 363.805 0.635 50 40 FCGB C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2ccc3c(c2)CCC3)C1=O 23652382 GLISXXYEQMBJPL-LJQANCHMSA-N 370.409 0.657 50 40 FCGB CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NN 1659835 SMLBZHDLCNIUGA-HUUCEWRRSA-N 362.430 0.918 50 40 FCGB COc1cccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)c1OC 4942673 BJEBMXCBZWPNPC-LBPRGKRZSA-N 369.381 0.352 50 40 FCGB N#CC1=C(N)O[C@@H]2NC(=O)NC(=O)[C@@H]2[C@@H]1c1cc2c(cc1Cl)OCO2 5749111 QDZQRQTYEDHFPD-SUNKGSAMSA-N 362.729 0.658 50 40 FCGB CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2ccccn2)cc1 9336106 ROAAIPGNTSLMPO-UHFFFAOYSA-N 362.411 0.248 50 40 FCGB COC(=O)[C@H]1[C@H](C(=O)O)[C@H]2O[C@H]1[C@@H](Br)[C@H]2Br 104146850 PARDFKQRBDLOAI-ASIBIWDJSA-N 357.982 0.784 50 40 FCGB C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)COc1ccccc1F)CS2 32971592 QHCNKCCUBKSXBI-BZNIZROVSA-N 367.402 0.806 50 40 FCGB Nc1nonc1C(=O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 408720756 YPKCSGXPODVCFL-DXNYSGJVSA-N 371.107 0.792 50 40 FCGB O=C(O)CCN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2OCCCl)C1 4753929 TZHHSGZWTCZMCK-OLZOCXBDSA-N 363.754 0.741 50 40 FCGB COc1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1C(=O)O 226856595 ZXZBYCKFEKITJM-UHFFFAOYSA-N 351.340 0.412 50 40 FCGB Cc1nonc1C(=O)N/N=C/c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 16265811 UBNLWLAGWXOZLK-LICLKQGHSA-N 373.373 0.802 50 40 FCGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2ccccc21 72402734 GXPOIKHZYBVKQA-HXUWFJFHSA-N 360.373 0.791 50 40 FCGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccco1 8354970 HNCXNQDHLJPAIR-UHFFFAOYSA-N 356.132 0.826 50 40 FCGB CCOC(=O)c1ccc(OCC(=O)NNC(=O)CCCC(=O)O)cc1 12137463 MJEIKJLTNHXQFX-UHFFFAOYSA-N 352.343 0.644 50 40 FCGB Nc1nonc1/N=N/N(CI)c1nonc1N 16136369 UVZFUPQSGQKANT-NTEUORMPSA-N 351.068 0.515 50 40 FCGB Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O 169748273 PWAAFDSCYLYFMA-HKUMRIAESA-N 372.494 0.486 50 40 FCGB C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)COc1ccccc1F)CS2 32971594 QHCNKCCUBKSXBI-MEDUHNTESA-N 367.402 0.806 50 40 FCGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccn2)CC1 59434073 AISKQKKJHSHQDX-KGENOOAVSA-N 367.409 0.889 50 40 FCGB CC(C)c1c(C(=O)N/N=C/c2ccccc2O)nnn1-c1nonc1N 2389444 WDKYXIOLTLDWHL-REZTVBANSA-N 356.346 0.825 50 40 FCGB O=C(CNC(=O)c1ccco1)NNC(=O)CN1CCCc2ccccc21 5689471 NCYSCVNFNQQSQC-UHFFFAOYSA-N 356.382 0.610 50 40 FCGB CC(C)n1nc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)c2ccccc2c1=O 13006562 KJHOGJKTFMGMNF-UHFFFAOYSA-N 367.365 0.741 50 40 FCGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])o1 1879266 QEOFVCGZNAKGBM-UBKPWBPPSA-N 360.282 0.797 50 40 FCGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)Cn1nnnc1N 33360368 AIIFUZJUHCDUAU-IDUWFGFVSA-N 359.781 0.553 50 40 FCGB CC(C)N1CCC(=NNC(=O)C(=O)NN=C2CCN(C(C)C)CC2)CC1 5909583 LUNYGDOWGOYXDV-UHFFFAOYSA-N 364.494 0.939 50 40 FCGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1C 3445015 OYCJULDAZXJJGR-UHFFFAOYSA-N 356.795 0.425 50 40 FCGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)CC1 2209375 OVVFXXNHBNHXPN-SDNWHVSQSA-N 366.425 0.537 50 40 FCGB CC(C)n1nc(C(=O)NNC(=O)c2nccnc2N)c2ccccc2c1=O 14044622 CUIBYZOCVOUQAL-UHFFFAOYSA-N 367.369 0.424 50 40 FCGB C/C(NNC(=O)c1cc(C)n(C(F)F)n1)=C1/C(=O)NC(=O)SC1=O 101540726 LFCZIRRHCZDZJS-FNORWQNLSA-N 359.314 0.605 50 40 FCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccc(F)cc12 2218765 BQMQEFQNLLWPJT-KRWDZBQOSA-N 355.281 0.596 50 40 FCGB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=S)NCc1ccccc1 13149166 GONOXFRDFVDYHB-KBPBESRZSA-N 374.466 0.857 50 40 FCGB O=C(NN[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)c1ccncc1 18266191 ADVPIRSDUJNEMM-CYBMUJFWSA-N 355.310 0.556 50 40 FCGB O=[N+]([O-])c1cccc(S(=O)(=O)O[C@H]2CS(=O)(=O)C[C@@H]2Cl)c1 2404754 QELNNWFXKBRINU-UWVGGRQHSA-N 355.777 0.705 50 40 FCGB CC(=O)OC[C@H]1O[C@@H](Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 34506015 BYWPSIUIJNAJDV-RKQHYHRCSA-N 366.750 0.308 50 40 FCGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)NNC(=O)c1ccccc1 408672099 ZJCPJDJMKOVRGD-NUNXZZDCSA-N 358.350 0.188 50 40 FCGB Cn1nnnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1 6643470 IPBCKCCKIVHEBO-UHFFFAOYSA-N 356.795 0.182 50 40 FCGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409090395 MZWVTRMZGSXLFV-CQSZACIVSA-N 365.393 0.900 50 40 FCGB CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 1088026 ZJEWRSOGMRXSKI-IBGZPJMESA-N 365.345 0.871 50 40 FCGB NNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 4534200 IJJWOSAXNHWBPR-TYNCELHUSA-N 371.507 0.379 50 40 FCGB O=C(COc1ccccc1F)NNC(=O)Cn1c(=O)cnc2ccccc21 32971600 MFYKQPQDQMESRA-UHFFFAOYSA-N 370.340 0.762 50 40 FCGB CC(=O)NCC(=O)NCC(=O)NN=C(c1ccccc1)c1ccccc1 66311324 NMCBZBZXZDRSLZ-UHFFFAOYSA-N 352.394 0.808 50 40 FCGB O=C(O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 102614531 IVHMHMTWPYMOST-JWXFUTCRSA-N 369.009 0.993 50 40 FCGB CN(C)c1ccc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cn1 27596024 DUSKUNAADXBPBB-UHFFFAOYSA-N 362.411 0.626 50 40 FCGB CC1(C)[C@@H](C(=O)OCI)N2C(=O)C[C@H]2S1(=O)=O 21992093 OLTVXWRKDHZFFR-RNFRBKRXSA-N 373.168 0.056 50 40 FCGB CCC(=O)NNC(=O)CSc1nnc(-c2ccco2)n1CCOC 4861194 FPGYOPXKHFVFLL-UHFFFAOYSA-N 353.404 0.834 50 40 FCGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 14186536 OWODXGNZCMQCMS-SNVBAGLBSA-N 364.345 0.830 50 40 FCGB O=C(N/N=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1nc[nH]n1 16431471 YBBFIRYKLAESDO-NGYBGAFCSA-N 350.294 0.712 50 40 FCGB Cc1ccc(C(=O)NC(=S)NNC(=O)CCN2CCOCC2)cc1 19898273 PWBNTCCKXJIKHG-UHFFFAOYSA-N 350.444 0.353 50 40 FCGB C=C(C)Cn1c(SC[C@@H](O)CCl)nc2c1c(=O)n(C)c(=O)n2C 1244279 NCNYCYXLHRODKN-VIFPVBQESA-N 358.851 0.702 50 40 FCGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3ccc(=O)[nH]n3)ccc12 6588924 WBTFBAYPVSWTKN-UHFFFAOYSA-N 370.321 0.025 50 40 FCGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)C)c1ccco1 9242663 QWTATSPEOSOHAJ-LZYBPNLTSA-N 359.350 0.041 50 40 FCGB O=C(N/N=C/C=N/NC(=O)[C@H](O)c1ccccc1)[C@@H](O)c1ccccc1 18276867 LRXCPNWFUAREHP-DWLWTIQTSA-N 354.366 0.658 50 40 FCGB COC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2c(C)cccn2c1=O 2201838 NAPWYTWXTDYZRP-SDNWHVSQSA-N 367.409 0.835 50 40 FCGB O=C(N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccc(O)cc1 9086664 WSUOJBCPLXIDME-UHFFFAOYSA-N 369.293 0.712 50 40 FCGB CN(C)Cc1c(C(=O)N/N=C/[C@H]2C[C@H]3C=C[C@@H]2C3)nnn1-c1nonc1N 217930294 APPZPMBKDSJNKA-GYZSGNGHSA-N 371.405 0.222 50 40 FCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)Nc1ccc(F)cc12 2218766 BQMQEFQNLLWPJT-QGZVFWFLSA-N 355.281 0.596 50 40 FCGB COc1cc(/C=N/NC(=O)CCC(=O)NN)cc(Br)c1O 27986388 RANQNUSEMRPBPX-GIDUJCDVSA-N 359.180 0.384 50 40 FCGB C[C@H]1Oc2ccccc2N(CCC(=O)NNC(=O)c2cnccn2)C1=O 11531562 VKZBYVBOORIKFA-LLVKDONJSA-N 355.354 0.442 50 40 FCGB N#Cc1cnc(SCC(=O)NNC(=O)COc2ccccc2)nc1N 4126927 NIHICHBJWHVDHW-UHFFFAOYSA-N 358.383 0.249 50 40 FCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 9562720 GQWJNCAVIKIJFY-NTMALXAHSA-N 367.339 0.480 50 40 FCGB CC(C)Cc1nnc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1 575424134 SHNXDQAXVORBRP-HTQZYQBOSA-N 368.937 1.427 50 40 FCGB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/NNC(=O)c1ccccc1O 9234175 BEXMZSSLFMKCLF-JLHYYAGUSA-N 366.333 0.794 50 40 FCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 104818452 ZVLLWRQJWFSGNS-KAMYIIQDSA-N 374.353 0.914 50 40 FCGB CC[C@H](COC(=O)CCl)N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 217378691 GBWPZXLENFHQSU-ZJUUUORDSA-N 360.259 0.802 50 40 FCGB Cn1c(=O)c(C(=O)CBr)nn(-c2ccc(F)cc2F)c1=O 1383283 PYENMUYQQFUVOD-UHFFFAOYSA-N 360.114 0.787 50 40 FCGB O=C(N/N=C/c1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1470064 GMERRGZDSWGPBE-CPNJWEJPSA-N 374.422 0.866 50 40 FCGB C/C(=N\NC(N)=O)c1ccc2c(c1)OCCOCCOCCOCCO2 5638656 PXHJKNNEVANGGJ-CPNJWEJPSA-N 367.402 0.900 50 40 FCGB C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1 16228548 GAOMGARLCBWZKW-UHFFFAOYSA-N 371.418 0.981 50 40 FCGB COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)C(=O)NCC(C)C 4380387 JVUDZOZLRNLRDG-FYJGNVAPSA-N 362.430 0.966 50 40 FCGB NNC(=O)Cn1c(=O)sc2ccc(S(=O)(=O)N3CCCCC3)cc21 4727647 YLPMHIMFXKGRFX-UHFFFAOYSA-N 370.456 0.228 50 40 FCGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1SCCS1 89562565 SQYOHLNDEFQVEO-UHFFFAOYSA-N 374.513 0.855 50 40 FCGB CCn1ncc(/C=N/NC(=O)[C@H](C)n2cc([N+](=O)[O-])c(OC)n2)c1F 252478469 AMWSIWJXIOVGTE-PDMWYYABSA-N 353.314 0.867 50 40 FCGB COC(=O)c1ccsc1NC(=O)CN1CCN(C(=O)CCl)CC1 36532940 PMFOFTNUWREKOW-UHFFFAOYSA-N 359.835 0.856 50 40 FCGB O=C(N/N=C1/C[C@@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@H]1O2)c1cccc(O)c1 105328383 IHRGXZISWMUBIT-PPZKLTISSA-N 374.313 0.364 50 40 FCGB Cc1nnc(SCC(=O)NNC(=O)CSc2nncn2C)s1 13945886 JZUANBWGZIZAGL-UHFFFAOYSA-N 359.462 0.007 50 40 FCGB O=C(NNC(=O)c1ccco1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 29006940 AYSVQBLDYNMKFK-UHFFFAOYSA-N 367.358 0.934 50 40 FCGB Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)no1 7939977 RYJAKISFYMCDSA-UHFFFAOYSA-N 374.353 0.706 50 40 FCGB COc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 409084776 XNXUCDZVFHKJSH-ZDUSSCGKSA-N 369.381 0.352 50 40 FCGB CC(=O)NNC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 35300738 XJUICZZGCTYUQZ-UHFFFAOYSA-N 372.385 0.432 50 40 FCGB O=C(N/N=C1/C[C@@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@H]1O2)c1ccccc1O 105329104 RPJKDOGPGDBVHD-OKSYILKOSA-N 373.325 0.969 50 40 FCGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1 713371 MHYIBDHREUKJCR-CAOOACKPSA-N 356.346 0.704 50 40 FCGB Cc1c(NC(=O)CSS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C 2186309 ZPSWXOKURFPESZ-UHFFFAOYSA-N 357.413 0.959 50 40 FCGB O=C(NCCCl)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3226325 RSQKHSBBNZSCOW-UHFFFAOYSA-N 374.850 0.654 50 40 FCGB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)c3cccs3)ccc21 9883434 QZBWCUGRFGKUSB-UHFFFAOYSA-N 358.379 0.846 50 40 FCGB CC(=O)OC([C@H](OC(C)=O)C(=O)CCl)[C@@H](OC(C)=O)C(=O)CCl 1564975 IFHHOTSWJDFNLQ-FUNVUKJBSA-N 371.169 0.397 50 40 FCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 6295747 BQLQUMYNQBTFLI-UDWIEESQSA-N 358.398 0.440 50 40 FCGB COc1ccc(S(=O)(=O)NNC(=O)Cn2nc(C)cc2C)cc1OC 7386873 VPSUXJZQMAFLFQ-UHFFFAOYSA-N 368.415 0.527 50 40 FCGB CN1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2S1(=O)=O 40153165 IWGTZKNKVOKSOG-UHFFFAOYSA-N 359.363 0.536 50 40 FCGB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccccc2)C1=O 15924966 JVRAIEVKFAHLPK-LJQANCHMSA-N 366.377 0.915 50 40 FCGB COc1ccc(/C=N/NC(=O)c2ccc(=O)[nH]n2)cc1CN1CCOCC1 2316562 RAODSONBNXLCGK-YBFXNURJSA-N 371.397 0.375 50 40 FCGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccc1[N+](=O)[O-] 16136767 CDQZLHVBIXOEQX-VCHYOVAHSA-N 365.346 0.178 50 40 FCGB CC(=O)c1c(NNC(=O)c2ccccc2S(N)(=O)=O)oc(C)cc1=O 27028852 OHWMPPAACJSDNE-UHFFFAOYSA-N 365.367 0.555 50 40 FCGB COc1cc2c(cc1OC)[C@](O)(C(=O)NN)N(Cc1ccccc1)C2=O 40544896 GALXZYJPZMHQPA-SFHVURJKSA-N 357.366 0.495 50 40 FCGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@H]1C[C@@H]2C=C[C@H]1C2 1068578 XKBCEEDBMYXNPR-XUJVJEKNSA-N 369.450 0.856 50 40 FCGB Cc1ccc(C(=O)NNC(=O)CC(=O)NNC(=O)c2ccc(C)cc2)cc1 3039182 PEWFDKFKVCNXOM-UHFFFAOYSA-N 368.393 0.916 50 40 FCGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 59959831 NVDKVWZFJYRECF-WSDLNYQXSA-N 368.393 0.360 50 40 FCGB NNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 114741270 IJJWOSAXNHWBPR-LALPHHSUSA-N 371.507 0.379 50 40 FCGB C/C(=N\NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21)c1cccs1 5620950 GDOKWYJSVJHOJJ-RQZCQDPDSA-N 360.399 0.036 50 40 FCGB CCCc1c(C(=O)N/N=C(\C)c2ccccn2)nnn1-c1nonc1N 9479513 VYMVLYIRPGCBAS-GIJQJNRQSA-N 355.362 0.734 50 40 FCGB CC1(C)[C@H](C(=O)OCI)N2C(=O)C[C@@H]2S1(=O)=O 21992101 OLTVXWRKDHZFFR-BQBZGAKWSA-N 373.168 0.056 50 40 FCGB C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NNC(=O)c1cccc(Cl)c1 9780607 NBMFLMXKMZPDGT-ZETCQYMHSA-N 367.818 0.947 50 40 FCGB COCCNC(=S)NNC(=O)COc1cccc(Br)c1 16217942 JICXVLVFGYARFS-UHFFFAOYSA-N 362.249 0.970 50 40 FCGB CN(NC(=O)CN1CCCCCC1)C1=NS(=O)(=O)c2ccccc21 4141982 AGIREMKHPPMKRR-UHFFFAOYSA-N 350.444 0.975 50 40 FCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(OCC(N)=O)cc1 4476319 WCNPWRIRUVOUGH-HNNXBMFYSA-N 369.333 0.214 50 40 FCGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2cnccn2)c1C 22411889 NXBKNYVHYJKGLD-UHFFFAOYSA-N 350.356 0.415 50 40 FCGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3O)C2=O)cc1 986105 JPYTVFQNYQYHSJ-CQSZACIVSA-N 355.350 0.967 50 40 FCGB CCCS(=O)(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 6509682 CXEHTHFYVFBLJY-UHFFFAOYSA-N 354.476 0.559 50 40 FCGB CS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2ccc(F)cc2)CC1 32802741 RPLSYKJKKURFMU-UHFFFAOYSA-N 358.395 0.194 50 40 FCGB CCCc1c(C(=O)N/N=C/c2ccc(OC)cc2)nnn1-c1nonc1N 2449592 XQCUOQXTJWUIPH-GIJQJNRQSA-N 370.373 0.958 50 40 FCGB CC(=O)Nc1ccc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 12915379 ZHIGVIMYFZEHPK-HNNXBMFYSA-N 353.444 0.680 50 40 FCGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)c(O)cc1O 19851691 HCMXFKMDGWAOOG-VIZOYTHASA-N 358.192 0.643 50 40 FCGB O=C(COCC(=O)N/N=C/c1ccc(O)cc1)N/N=C\c1ccc(O)cc1 104164775 SMGNQJKLTCDHEO-KFSYKRRRSA-N 370.365 0.715 50 40 FCGB O=C(CSc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(C(F)(F)F)cc1 942536 VQPFZPMDAPBELL-YAXRCOADSA-N 373.316 0.719 50 40 FCGB CCOC(=O)C1CCN(C(=O)C/C(C)=N/NC(=O)c2cnccn2)CC1 4414597 LSYADPQJULLENG-UDWIEESQSA-N 361.402 0.774 50 40 FCGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C1\C(=O)Nc2ccccc21 6133557 WCBNPBJSKDBRBC-UHFFFAOYSA-N 366.333 0.618 50 40 FCGB CC(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 13040619 XDIIYCUQPSNYRP-UHFFFAOYSA-N 367.349 0.944 50 40 FCGB COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCC(=O)NN 6263511 MSDPQOFSILQCLR-HNNXBMFYSA-N 364.427 0.446 50 40 FCGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cc(C2CC2)n[nH]1 71283579 SAUZTTRSHDPBQO-UHFFFAOYSA-N 364.383 0.682 50 40 FCGB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)cc1 6230481 ZKOSJEUFKYBIHU-UHFFFAOYSA-N 351.384 0.865 50 40 FCGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409379382 WOSCDZITZCMZDW-DDHJSBNISA-N 357.366 0.929 50 40 FCGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 6327591 MWEISKZDZCEPCI-YBFXNURJSA-N 360.414 0.663 50 40 FCGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccco1 6509119 PSRDIAAFSOVHTF-NSHDSACASA-N 371.349 0.865 50 40 FCGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)[C@@H]1COc2ccccc2O1 1818583 FUIHOIHXHUCBTR-QNKXHIPISA-N 352.324 0.816 50 40 FCGB COc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 6602307 JXGFBLPVMXXUPC-UHFFFAOYSA-N 363.395 0.956 50 40 FCGB COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1OC 16227562 ZAZDDYNZWGIGNT-ZJUUUORDSA-N 369.848 0.387 50 40 FCGB Cn1cnnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1 3442581 XJTKGPUQEXAAQD-UHFFFAOYSA-N 355.807 0.787 50 40 FCGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1n[nH]c(=O)c2ccccc12 3369075 VQRJFGOGXTXDME-AWEZNQCLSA-N 366.333 0.524 50 40 FCGB Cc1cc(C)n(CC(=O)NNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)n1 72306999 GUJRAUKFFJBMRP-UHFFFAOYSA-N 365.434 0.904 50 40 FCGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccnc2)cc1 6544970 VGBFPYAKAIRIJF-WOJGMQOQSA-N 362.411 0.861 50 40 FCGB CN(C)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 102314393 CGUZZKOVGVWJIR-HUUCEWRRSA-N 370.409 0.465 50 40 FCGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)Cc1nnc(N)s1 16194841 GONDUWXMSVDNKR-APSNUPSMSA-N 351.388 0.839 50 40 FCGB Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 102192675 LCJGWPANGDUSQE-CYDGBPFRSA-N 363.326 0.542 50 40 FCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccccn2)cc1 6449418 VLOWBXZPFONEQS-UHFFFAOYSA-N 362.411 0.472 50 40 FCGB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/NNC(=O)c1ccccc1Cl 9334804 QPNJUXNJFSMETJ-JXMROGBWSA-N 364.814 0.864 50 40 FCGB C[C@H]1Cc2cc(C(=O)NNC(=O)c3cccnc3)ccc2N1S(C)(=O)=O 12871338 ZHCBRJDDTCQWFC-NSHDSACASA-N 374.422 0.867 50 40 FCGB CC(C)CCS(=O)(=O)CC(=O)NNC(=O)c1ccc2c(c1)OCO2 47908171 KTGPPHSSSSXVLM-UHFFFAOYSA-N 356.400 0.637 50 40 FCGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1nnc(N)n1 2320392 KHLCIIXWBKCRJV-REZTVBANSA-N 359.781 0.553 50 40 FCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 5624543 BYXGTYGNGLIRLQ-GFMRDNFCSA-N 374.400 0.846 50 40 FCGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 6468557 HFLUNBBDCATFED-JBBSTSQOSA-N 361.310 0.400 50 40 FCGB C=CC(=O)N(C)CC(=O)NNC(=O)c1cc(F)ccc1Br 1542841882 KVBDVAYZMOHYGP-UHFFFAOYSA-N 358.167 0.994 50 40 FCGB CC(C)(C)OC(=O)N1CCN(c2ccc(B(O)O)cc2[N+](=O)[O-])CC1 2382215945 CWWMJUKEROWEQQ-UHFFFAOYSA-N 351.168 0.332 50 40 FCGB C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)C[C@@H](C)O1 5023883 JRNPIVZDDPZRMJ-DDFCOYPESA-N 353.382 0.700 50 40 FCGB Cc1cc(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)o1 12610020 SPOGWDZVYFXRDB-UHFFFAOYSA-N 362.386 0.912 50 40 FCGB COc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1Cl 409080727 NVTNFKIEEVBMEN-LBPRGKRZSA-N 373.800 0.997 50 40 FCGB CN(C)c1nc(N(C)C)nc(N2CC(=O)N(CCBr)C2=O)n1 857315 CJMNBMQKTKLAQP-UHFFFAOYSA-N 372.227 0.167 50 40 FCGB CCOc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(=O)NN)C3)C2=O)cc1 33745773 OBQPIBPMGXZZMY-WFASDCNBSA-N 360.414 0.419 50 40 FCGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 5928944 CXKGOYRLRBIQGG-KEBDBYFISA-N 354.366 0.948 50 40 FCGB C=C(C#N)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C#N 1857794550 ZMVKPMQLUBOOJH-UHFFFAOYSA-N 352.343 0.282 50 40 FCGB COc1ccc(C)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 575422056 LWNBMJVLFBWNFV-ZJUUUORDSA-N 353.849 0.686 50 40 FCGB CS(=O)(=O)c1cccc(C(=O)NNC(=S)NC[C@H]2CCCO2)c1 42084675 QIIJEFZNZVGIRV-LLVKDONJSA-N 357.457 0.378 50 40 FCGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccco1 408529383 CTSFRBTTYMLLRC-GKHOPJFQSA-N 358.354 0.878 50 40 FCGB Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)[nH]c1=O 8403699 JULJNICUOSUVQC-UHFFFAOYSA-N 353.791 0.680 50 40 FCGB O=C(O)[C@H]1[C@H]2C[C@H]([C@H]1C(=O)O)[C@@H](N1C(=O)CCC1=O)[C@H]2Br 100132753 DGUWCGCSFBDQTL-WOJAFVGOSA-N 360.160 0.319 50 40 FCGB in-vitro NNC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 23230171 NVXSDROURKINDX-GOSISDBHSA-N 370.453 0.852 50 40 FCGB Cc1cc(C)nc(NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)n1 30625330 JZFUZFRFMHRCEK-AWEZNQCLSA-N 371.376 0.796 50 40 FCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(OCC(N)=O)c1 101644366 DSLGUBIJLBEAHS-HNNXBMFYSA-N 369.333 0.214 50 40 FCGB COc1ccc(C(=O)NNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 2626692 ZSVQNNKUTZQBRW-UHFFFAOYSA-N 368.349 0.160 50 40 FCGB O=C(NCc1ccco1)NNC(=O)c1csc(N2CCOCC2)n1 13008262 JMRJHXVWKNWFHJ-UHFFFAOYSA-N 351.388 0.717 50 40 FCGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409381282 FTZCHSJFPQMJQS-ZUMXRPEOSA-N 373.365 0.450 50 40 FCGB Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n[nH]1 40157109 ISKUNZSNQQGAHC-UHFFFAOYSA-N 357.779 0.094 50 40 FCGB O=C(N/N=C/c1ccc(F)s1)c1ccn(Cn2cnc([N+](=O)[O-])n2)n1 252500277 SQUVMFNHOUYTAY-PJQLUOCWSA-N 364.322 0.853 50 40 FCGB CC(C)Cc1nnc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575421441 IHHBRCOTBJQJCQ-YUMQZZPRSA-N 352.869 1.263 50 40 FCGB CCNC(=O)N(C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 95983221 VJCYVVGAFPREMZ-UHFFFAOYSA-N 365.346 0.975 50 40 FCGB COC(=O)c1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1 2541948 JSZGWCQVOFKECK-REZTVBANSA-N 370.329 0.091 50 40 FCGB Cc1c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnn1-c1nonc1N 2187757 UVWPEGXISGSZRC-GIDUJCDVSA-N 357.290 0.213 50 40 FCGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@H]1C[C@H]2C=C[C@@H]1C2 217655278 XKBCEEDBMYXNPR-ZOWXZIJZSA-N 369.450 0.856 50 40 FCGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1ccc(O)c(O)c1 5047165 VKZWGOCEOALNNR-DJKKODMXSA-N 368.349 0.695 50 40 FCGB COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1cc(C2CC2)n[nH]1 71284220 ARUIZIKIYINKDE-UHFFFAOYSA-N 370.412 0.759 50 40 FCGB O=C(COc1cccc(Br)c1)NNC(=O)c1ccc[nH]c1=O 12940896 QWDGWVSPFZYXOV-UHFFFAOYSA-N 366.171 0.977 50 40 FCGB COc1ccc(C(=O)NNC(=O)CC(C)C)cc1S(=O)(=O)N(C)C 10160238 NWHCTFLDUROZAG-UHFFFAOYSA-N 357.432 0.753 50 40 FCGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 409190264 QZGLHMTXYBHTJY-YBFXNURJSA-N 363.414 0.799 50 40 FCGB COc1ccc(C(=O)NCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1 14116319 IPUYPPQVDGTLDP-UHFFFAOYSA-N 359.386 0.086 50 40 FCGB Cc1cc(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)no1 22091699 QPAVLZJQNIICDY-UHFFFAOYSA-N 352.376 0.743 50 40 FCGB NNC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cn2)cn1 98212161 GNLWZRMGKBKQMD-UHFFFAOYSA-N 350.404 0.045 50 40 FCGB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cc1 584928157 AVJABQNFXKJDEB-UHFFFAOYSA-N 352.199 0.273 50 40 FCGB C=CCN1C(=O)/C(=C(/CC)NNC(=O)c2ccccc2O)C(=O)N=C1O 1249645 GTSCZVTWCHQTFZ-QBFSEMIESA-N 358.354 0.760 50 40 FCGB COC(=O)[C@H]1[C@H]2O[C@@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)OC 104146811 YCJUEHAUUDTAAS-CVBHLRHXSA-N 372.009 0.873 50 40 FCGB O=C1N=C(O)N(Cc2ccco2)C(=O)/C1=C\NNC(=O)c1ccccc1O 1252493 UFOCEBOQGSMGAT-WQLSENKSSA-N 370.321 0.587 50 40 FCGB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)N[C@H](Cl)CP(=O)(O)O)cc1 230143173 LGFSKMHJXYFVNI-DCAQKATOSA-N 354.683 0.321 50 40 FCGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(O)c2)s1 408732485 VPOVSBNXCGNELU-VIZOYTHASA-N 365.371 1.211 50 40 FCGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccco2)C1=O 408537822 XKWVCXSHPCTDRW-NTOSSWPYSA-N 370.321 0.903 50 40 FCGB Nn1c(SCC(=O)NNC(=O)c2cccs2)nnc1C(F)(F)F 40158909 CGZKUNNUUBUQKV-UHFFFAOYSA-N 366.350 0.626 50 40 FCGB C/C(N)=C(\C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 105829566 QQZVCNDHCBYQIM-CCCPALQASA-N 356.338 0.508 50 40 FCGB O=C(NN/C=C1\C(=O)N(Cc2ccco2)C(=O)N=C1O)c1ccncc1 9008544 SSMGYAYCCMNELA-WQLSENKSSA-N 355.310 0.912 50 40 FCGB COc1cc(OC)c(NC(=O)NNC(=O)C(=O)NC2CC2)cc1Cl 1574632 ACGJQGZFAVAJNG-UHFFFAOYSA-N 356.766 0.789 50 40 FCGB CN(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(F)cc1 6544960 YOPWVOQBJFXADL-VCHYOVAHSA-N 350.375 0.992 50 40 FCGB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)c1cnccn1 11528272 JBCRLMMNSFVNFG-INIZCTEOSA-N 355.398 0.621 50 40 FCGB O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccn1 20267748 WBPZLOYFMBHIAX-FXBPSFAMSA-N 365.393 0.852 50 40 FCGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)NC1CCCCCCC1 102920421 ORQASRISUSKVJN-DEDYPNTBSA-N 354.451 0.860 50 40 FCGB O=C(COc1ccccc1F)NNCC(=O)NC(=O)NCc1ccccc1 6566269 MRMRMVVOCWASHU-UHFFFAOYSA-N 374.372 0.851 50 40 FCGB CC(=O)c1cccc(-n2nnnc2SCC(=O)NNC(=O)C(C)C)c1 4883449 WXONWBPDRAZVIK-UHFFFAOYSA-N 362.415 0.760 50 40 FCGB COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 18052726 VSYHGLABBSCACZ-SFHVURJKSA-N 365.349 0.610 50 40 FCGB Cn1nc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH]/c1=N\C(=O)CCl 95628382 DNWCTVIDSNFNTE-UHFFFAOYSA-N 358.830 0.471 50 40 FCGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3ccc[nH]c3=O)ccc12 12940990 OQCARABZJZWWGB-UHFFFAOYSA-N 369.333 0.630 50 40 FCGB CCn1ncc(/C=N/NC(=O)[C@@H](C)n2cc([N+](=O)[O-])c(OC)n2)c1F 252478470 AMWSIWJXIOVGTE-SDUWKLLGSA-N 353.314 0.867 50 40 FCGB O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 10224545 HRUPZNAPGOGXEP-UHFFFAOYSA-N 371.401 0.120 50 40 FCGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 59101737 ZWMKAORSSGKCDI-AWQFTUOYSA-N 358.329 0.779 50 40 FCGB COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCC(=O)NN 6263535 MSDPQOFSILQCLR-OAHLLOKOSA-N 364.427 0.446 50 40 FCGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(F)cc1F 1057102 RMWOLLPHPXRGFR-NGYBGAFCSA-N 362.300 0.973 50 40 FCGB CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NN 1659836 SMLBZHDLCNIUGA-GJZGRUSLSA-N 362.430 0.918 50 40 FCGB CC(=O)OC([C@H](OC(C)=O)C(=O)CCl)[C@H](OC(C)=O)C(=O)CCl 1564974 IFHHOTSWJDFNLQ-VXGBXAGGSA-N 371.169 0.397 50 40 FCGB C/C(N)=C(\C#N)C(=O)COC(=O)CCNS(=O)(=O)c1cccs1 96492119 JJLIMDBGLNCQLK-KTKRTIGZSA-N 357.413 0.285 50 40 FCGB C/C(CC(=O)NCCN1CCOCC1)=N\NC(=O)Cc1cccs1 18286445 JGJZGQHLMMDOPO-QGOAFFKASA-N 352.460 0.621 50 40 FCGB O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(B(O)O)cc1 584998523 AJPWKRLPXYQLKG-UHFFFAOYSA-N 368.242 0.123 50 40 FCGB O=C(COC(=O)[C@H]1COc2ccccc2O1)NNC(=O)c1ccccc1 3497450 JEKKFBQVNIPXPW-OAHLLOKOSA-N 356.334 0.831 50 40 FCGB Cc1cc2c(c(=O)n1CCO)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 6669499 WZSFZQPOXUFAKT-LJQANCHMSA-N 364.361 0.474 50 40 FCGB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 72988381 KUUGHRCTTLNEMN-NQBHXWOUSA-N 354.428 0.918 50 40 FCGB Cc1ccc(OCC(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12987188 KOAVLLUIOLGKRK-DYVFJYSZSA-N 363.439 0.975 50 40 FCGB CCOc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cc1OCC 22411914 UNPRFKHPQRKNIU-UHFFFAOYSA-N 366.399 0.897 50 40 FCGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c(O)ccc2ccccc12 959204 OGLGCFWKUYFMRE-GIJQJNRQSA-N 353.338 0.400 50 40 FCGB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\NNC(=O)c1ccncc1 9358243 DIEBMXMECNIPSV-RAXLEYEMSA-N 357.370 0.611 50 40 FCGB O=C(NNc1ccccc1)C(=O)NNS(=O)(=O)c1ccc(F)cc1 2273175 IGQQJFAWPSNAHR-UHFFFAOYSA-N 352.347 0.279 50 40 FCGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)C[C@H](C)O1 5023880 JRNPIVZDDPZRMJ-LSHIQYPYSA-N 353.382 0.700 50 40 FCGB CC(=O)Nc1ccc(S(=O)(=O)NCCSS(=O)(=O)O)cc1 1585836 FFDVMSOJOYEBMH-UHFFFAOYSA-N 354.431 0.459 50 40 FCGB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)NNC(=O)c1ccccc1 408672098 ZJCPJDJMKOVRGD-CYHVGBIXSA-N 358.350 0.188 50 40 FCGB CCOC(=O)N[C@H]1OC(C#N)=C[C@H](C(=O)OCC)[C@H]1NC(=O)OCC 4267639 RVJXMQWWAAEIET-TUAOUCFPSA-N 355.347 0.790 50 40 FCGB Cc1occc1C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 12916286 BVUZYPLVBJBLPH-SFHVURJKSA-N 370.365 0.816 50 40 FCGB C[C@@H](Cl)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 13725846 KZABGOXNWYKDLA-GFCCVEGCSA-N 360.867 0.277 50 40 FCGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)COc1cc(C)ccc1C 70695563 KTXLBWJKDUDNHP-GFCCVEGCSA-N 368.459 0.620 50 40 FCGB Cc1ccc(OCC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 14792010 YSPCGPVKCVPTEI-UHFFFAOYSA-N 367.361 0.817 50 40 FCGB O=C(CCN1C(=O)CCC1=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 8720214 IBOSSCAAPUPZFX-UHFFFAOYSA-N 355.354 0.377 50 40 FCGB O=C(COCC(=O)N1CCc2ccccc2C1)NNC(=O)c1ccccn1 9226960 PMFCFPGSEZTLKR-UHFFFAOYSA-N 368.393 0.444 50 40 FCGB CS(=O)(=O)C1=N[C@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1 101411093 MFXRWCQVNIMQKS-GFCCVEGCSA-N 364.210 0.447 50 40 FCGB COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1OC 16227556 ZAZDDYNZWGIGNT-VHSXEESVSA-N 369.848 0.387 50 40 FCGB O=C(NN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)c1ccncc1 100128069 XWYALXPCYTWUOD-CYBMUJFWSA-N 355.310 0.556 50 40 FCGB Nc1nonc1C(=O)N/N=C/c1cc(Br)c2c(c1)OCO2 1052865 FUMJPALOHXOYCN-LZWSPWQCSA-N 354.120 0.907 50 40 FCGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1ccccc1 8772486 YKZAPMQPAKYNDG-UHFFFAOYSA-N 361.379 0.422 50 40 FCGB O=C(CN1CCOCC1)N/N=C1/C(=O)Nc2ccc(Br)cc21 19797803 ALHXXQJYIUCZKR-UHFFFAOYSA-N 367.203 0.554 50 40 FCGB O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)c1cc(Cl)ccc1Cl 33029183 VKRPWNRDXZRHEY-VIFPVBQESA-N 359.169 0.743 50 40 FCGB Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102634298 JTZUGBSMMGSGDK-IMIFBBOLSA-N 350.396 0.827 50 40 FCGB CCCC(CCC)C(=O)NNc1cc(=O)c2c(=O)n(C)c(=O)n(C)c2[nH]1 8828908 ZGTXXTZWJCUZSG-UHFFFAOYSA-N 363.418 0.585 50 40 FCGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C\c1cccc(O)c1 31870562 QOSPWZMDUOGUCF-PADWCVLASA-N 355.350 0.799 50 40 FCGB O=C(CNC(=O)c1ccco1)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 17123445 NSZOFBCYEISZNY-UHFFFAOYSA-N 357.282 0.390 50 40 FCGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccncc2)cc1OC 59459610 PVZKHSFESMVJPI-CIAFOILYSA-N 356.382 0.908 50 40 FCGB CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccccc2O)c2ccccc21 100260493 JLDQDOSOUFWXBU-LTGZKZEYSA-N 352.350 0.619 50 40 FCGB Cn1c(CC(=O)NNC(=O)CNC(=O)C2CCCCC2)nc2ccccc21 6188084 CWFZLQLHIABOBS-UHFFFAOYSA-N 371.441 0.960 50 40 FCGB COCCn1nc(C(=O)N/N=c2/sc3ccccc3n2C)ccc1=O 102879971 SZLXJQXGTCTEAL-FBMGVBCBSA-N 359.411 0.689 50 40 FCGB COc1ccc2ccccc2c1/C=N\NC(=O)CCc1n[nH]c(=O)[nH]c1=O 16227894 RNTVMJKWSCIYLQ-GRSHGNNSSA-N 367.365 0.703 50 40 FCGB Cn1cc(S(=O)(=O)NNC(=O)c2cncc(Br)c2)cn1 71284674 CQIGCSRSUOZAAM-UHFFFAOYSA-N 360.193 0.201 50 40 FCGB COc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1C 409078846 DIWVUARLCBEGNM-ZDUSSCGKSA-N 353.382 0.652 50 40 FCGB COc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)Nc2ccccc21 5704208 IMEIAHLQSDPIQV-UHFFFAOYSA-N 352.350 0.898 50 40 FCGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccn2)cc1 6544893 QRWCPAYPSYTANO-WOJGMQOQSA-N 362.411 0.861 50 40 FCGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)OC)cc1 58873061 LGYUXRKPLQELDG-ODLFYWEKSA-N 365.386 0.231 50 40 FCGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)CCC(=O)O)cc1 5873353 IVCLYESCMMEFRJ-UHFFFAOYSA-N 351.359 0.816 50 40 FCGB O=C(CCC(=O)N1CCC(C(=O)O)CC1)NNC(=O)c1cccc(F)c1 199403509 PNHYNJDOLGKEPD-UHFFFAOYSA-N 365.361 0.690 50 40 FCGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccco3)C2=O)cc1 408529252 CMFBCSWLEMLMBI-KBSHCFNASA-N 370.321 0.903 50 40 FCGB Cc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)cccc1S(N)(=O)=O 95435840 MYHIZLYFYWOJQC-UHFFFAOYSA-N 365.386 0.785 50 40 FCGB Cc1c(S(=O)(=O)NNC(=O)c2cncc(Br)c2)cnn1C 71284388 KUWOPPVQXSVKSC-UHFFFAOYSA-N 374.220 0.509 50 40 FCGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)c1O 1878461 XXJFQWJHCXOUPJ-OMCISZLKSA-N 358.318 0.019 50 40 FCGB CCOC(=O)c1c(C)[nH]c(C(=O)NN/C(=C/C(=O)OC)C(=O)OC)c1C 8338062 UYVNGWBMMJORSM-JXMROGBWSA-N 367.358 0.273 50 40 FCGB O=C(NNC(=O)[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32261370 QKHAWKHRUWMXQM-HOCLYGCPSA-N 357.410 0.855 50 40 FCGB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NNC(=O)c1ccncc1 12612934 HBQDEQFIBGXMDL-OBJOEFQTSA-N 363.443 0.568 50 40 FCGB O=C(N/N=C1/C[C@@H](n2cc([N+](=O)[O-])cn2)[C@@H]2CO[C@@H]1O2)c1ccccc1O 101080387 RPJKDOGPGDBVHD-OXZJWGCXSA-N 373.325 0.969 50 40 FCGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1ccc(O)cc1O 4823995 YPJXIHQWOKEBEG-YSNFCQRUSA-N 371.349 0.504 50 40 FCGB COCCNC(=S)NNC(=O)COc1ccc(Br)cc1 7062232 VGDYLODUPGLUTF-UHFFFAOYSA-N 362.249 0.970 50 40 FCGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccnc1 9596445 LETHEGZLSSXWLA-UHFFFAOYSA-N 367.159 0.628 50 40 FCGB O=C(COc1ccc(Cl)cc1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 4749928 UWSSBCFVPUUFKY-SNVBAGLBSA-N 360.819 0.691 50 40 FCGB COc1ccc(C(=O)NNC(=O)CSc2nc3c(N)ncnc3[nH]2)cc1 12640571 KYSFFNDYKDULJT-UHFFFAOYSA-N 373.398 0.497 50 40 FCGB O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(Cl)cc1 32999844 RDFUKQFVWBYLIF-UHFFFAOYSA-N 364.789 0.966 50 40 FCGB CC(C)Cc1nnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1 575421438 IHHBRCOTBJQJCQ-HTQZYQBOSA-N 352.869 1.263 50 40 FCGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCC(=O)N1CCOCC1 409011816 ISAVCDBARXSQCQ-YBFXNURJSA-N 360.370 0.297 50 40 FCGB C=CCNC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 3089122 QESLDKIPFLJWPY-OMCISZLKSA-N 354.160 0.930 50 40 FCGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 7516494 UXTGFHYKPYXBFD-LLVKDONJSA-N 355.310 0.210 50 40 FCGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1 58873879 HXVLZDNDDIBJBJ-UFFVCSGVSA-N 370.365 0.400 50 40 FCGB COC(=O)CC1=C(C(=O)OC)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 1293779 IQUQOCCVWLOEGA-SFHVURJKSA-N 369.333 0.591 50 40 FCGB CCOC(=O)Cc1n[nH]c2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 6733513 QSCSFGUCMZEWRV-GOSISDBHSA-N 365.349 0.840 50 40 FCGB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cnccn1 11529184 PFMWONAOIDDFMA-ZDUSSCGKSA-N 373.438 0.789 50 40 FCGB O=C(N/N=C1/C[C@@H](n2cnc([N+](=O)[O-])n2)[C@@H]2CO[C@@H]1O2)c1cccc(O)c1 101073017 IHRGXZISWMUBIT-UGRVRBRASA-N 374.313 0.364 50 40 FCGB O=C(Cc1nnc(O)[nH]c1=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1781634 MVLJUJDRTYSSAI-LHHJGKSTSA-N 352.694 0.125 50 40 FCGB CC(=O)NC1=N[C@@](NC(=O)c2ccc(C)cc2)(C(Cl)Cl)C(=O)N1 101426331 PMJVKUHTGSQNAV-AWEZNQCLSA-N 357.197 0.847 50 40 FCGB CC(C)c1nnc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1 575422650 MMMBWBGXDUVVTH-RNFRBKRXSA-N 354.910 1.352 50 40 FCGB CCOc1ccccc1/C=N/NC(=O)c1c(C)nnn1-c1nonc1N 2380386 XABMGDWJPNXDNQ-CAOOACKPSA-N 356.346 0.704 50 40 FCGB O=C(NN[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)c1ccncc1 100097049 ADVPIRSDUJNEMM-ZDUSSCGKSA-N 355.310 0.556 50 40 FCGB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@@]16[C@@H]1C=C[C@H](OO1)[C@]56[C@H]2[C@@H]43 104283739 KNOKLYCOZICOLN-BAEFWBMPSA-N 361.357 0.657 50 40 FCGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccccc2)cc1 4698825 ULRPCIZJOHMPHP-UHFFFAOYSA-N 352.350 0.975 50 40 FCGB COC(=O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1OC 409002079 SIVWPEOKRSMAGK-ZDLGFXPLSA-N 365.386 0.029 50 40 FCGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCCN2CCOCC2)cc1 19831132 ILEDWHVBYHEDRT-KGENOOAVSA-N 360.458 0.883 50 40 FCGB CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)O[C@@H]1Br 22046866 XUZQAPSYNYIKSR-JLAVYSNZSA-N 353.165 0.921 50 40 FCGB Nc1nnnn1CC(=O)N/N=C/c1c(Cl)ccc([N+](=O)[O-])c1Cl 35088321 STNZAFTUEIBIMR-LZWSPWQCSA-N 359.133 0.621 50 40 FCGB O=C(N/N=C/C=N/NC(=O)[C@@H](O)c1ccccc1)[C@@H](O)c1ccccc1 18276869 LRXCPNWFUAREHP-BTSOFAATSA-N 354.366 0.658 50 40 FCGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1 408834942 XLEWNDCWHKKTSY-PUFAJPFRSA-N 368.393 0.878 50 40 FCGB O=C(NNC(=O)[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32261372 QKHAWKHRUWMXQM-GOEBONIOSA-N 357.410 0.855 50 40 FCGB COc1c(/C=N/NC(=O)c2nonc2N)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408719322 BZTBRFKZBJVDBL-YIXHJXPBSA-N 351.235 0.241 50 40 FCGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNS(=O)(=O)c1ccc(C)cc1 16310375 DEOVUKAHWPEDOD-ZROIWOOFSA-N 360.395 0.501 50 40 FCGB O=C(COC(=O)c1ccc(F)cc1)NNC(=O)[C@H]1COc2ccccc2O1 5753894 BKOMTZPLVGTOMW-OAHLLOKOSA-N 374.324 0.970 50 40 FCGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 16430378 CBSWQZXWJOWHDX-FUJGBLOQSA-N 364.230 0.289 50 40 FCGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccnc1 18193304 LWIOTABKFGSDDP-UZPSYVQNSA-N 367.390 0.861 50 40 FCGB Cc1cc(C)n2nc(CC(=O)NNC(=O)c3ccc(N(C)C)cc3)nc2n1 6672138 WZNMWHQOJLOBFV-UHFFFAOYSA-N 367.413 0.811 50 40 FCGB CC(=O)N1CCC(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 24122784 PIOAHVHWZANPQR-UHFFFAOYSA-N 357.208 0.797 50 40 FCGB Cc1ccc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 29401877 KBWDXYRXSZMUPS-MRXNPFEDSA-N 365.393 0.876 50 40 FCGB Cc1ccc([C@H]2C3(C(=O)NC(=O)NC3=O)[C@@]2(C#N)C(N)=C(C#N)C#N)cc1 85409176 ROEGQUKFWBLYKD-SJKOYZFVSA-N 360.333 0.215 50 40 FCGB C[C@@H](C(=O)NNC(=O)c1ccccc1F)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103465758 QADBQBRCJSCEFC-SDDRHHMPSA-N 359.357 0.926 50 40 FCGB COc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)ccc1O 3090752 YTZVAMUCYKFPBM-OMCISZLKSA-N 358.318 0.019 50 40 FCGB CNC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2ccccn2c1=O 5557312 AJMYXNURNNYITF-ACCUITESSA-N 352.398 0.099 50 40 FCGB O=C(COCC(=O)N/N=C\c1ccccc1O)N/N=C\c1ccccc1O 104171619 BNRBVNZWXAPGCL-QJUDHZBZSA-N 370.365 0.715 50 40 FCGB N#CC1=C(N)O[C@@H]2NC(=O)NC(=O)[C@H]2[C@@H]1c1cc2c(cc1Cl)OCO2 5749113 QDZQRQTYEDHFPD-GYSYKLTISA-N 362.729 0.658 50 40 FCGB CCOC(=O)NNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 13006371 RYBYIMBOIDAFQD-LBPRGKRZSA-N 368.415 0.527 50 40 FCGB CC(C)NC(=S)NNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 15876251 LRVJRSMEFMQTGH-UHFFFAOYSA-N 358.489 0.891 50 40 FCGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(OC)c1OC(C)=O 59247204 NQXTYQNSKAPMJP-VCHYOVAHSA-N 365.386 0.411 50 40 FCGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccn2)cc1OC 2315774 ZXIDUXYXWVAKMM-CIAFOILYSA-N 356.382 0.908 50 40 FCGB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1cccnc1 65523144 YHJBWGWSDFATLR-OAHLLOKOSA-N 374.422 0.229 50 40 FCGB Cn1nc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2c1=O 12692222 LUNSBJUVMXCBQB-UHFFFAOYSA-N 366.333 0.737 50 40 FCGB Cc1ccc(C(=O)NNC(=O)CSc2nnc3nc(O)cc(N)n23)cc1 13513846 TUHYYQVLEUSKMD-UHFFFAOYSA-N 373.398 0.274 50 40 FCGB Cn1nc(C(=O)NNC(=S)NC[C@H]2CCCO2)c2ccccc2c1=O 16279079 UJXUVPSOUWIKPQ-SNVBAGLBSA-N 361.427 0.221 50 40 FCGB COCc1nnn(-c2nonc2N)c1C(=O)N/N=C(\C)c1ccccc1O 101655349 BYAGFZNNPSZSDD-CAOOACKPSA-N 372.345 0.239 50 40 FCGB CC(C)(C=O)C[C@@H](C#N)/C(=N\NC(N)=O)C(=O)Nc1ccccc1C(N)=O 17211257 NWKZEEJLGRXQMK-LNJADCQASA-N 372.385 0.503 50 40 FCGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 5917306 KKCBIQSZERDZOB-KEBDBYFISA-N 370.365 0.648 50 40 FCGB N#CCC(=O)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 103857605 BPBTYADTLWATQG-LZUJDIRXSA-N 363.786 0.720 50 40 FCGB NC(=O)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccco1 8653566 YDIMTPKQHUYZDL-LPXFMOJISA-N 372.297 0.943 50 40 FCGB NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccn2)ccc1Cl 16072931 MPMSYPLKKKDYMW-UHFFFAOYSA-N 354.775 0.457 50 40 FCGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1nnnc1N 2317787 AIIFUZJUHCDUAU-REZTVBANSA-N 359.781 0.553 50 40 FCGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(=O)NC(C)C 4697819 OPTLQZYLSPGUHQ-RGVLZGJSSA-N 362.386 0.803 50 40 FCGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 4525683 JQPHKQGPZMNHLY-HOTGVXAUSA-N 356.334 0.814 50 40 FCGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1Br 12973846 CMSOCGLQUKDGHT-QMMMGPOBSA-N 361.217 0.645 50 40 FCGB COc1ccc(C(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 3077576 VFAFHKNYRMBUIG-UHFFFAOYSA-N 353.334 0.752 50 40 FCGB C[C@@H]1Oc2ccccc2N(CCC(=O)NNC(=O)c2cnccn2)C1=O 11531566 VKZBYVBOORIKFA-NSHDSACASA-N 355.354 0.442 50 40 FCGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 25581803 KARYIAMMBNHOEY-VGOFMYFVSA-N 365.310 0.100 50 40 FCGB O=C1CC(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)=NN1c1ccccc1 217383249 MDCRZGJLBYXZLE-LBPRGKRZSA-N 369.830 0.991 50 40 FCGB Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1cc(F)cc(F)c1 12790000 IBMWCSRIFLCAPY-UHFFFAOYSA-N 363.367 0.506 50 40 FCGB COc1ccc(CC(=O)NNC(=O)CSc2nc(C)cc(=O)[nH]2)cc1 6413399 MUXXKNIMUSIRNA-UHFFFAOYSA-N 362.411 0.569 50 40 FCGB Cc1ccsc1/C=C/C(=O)NNC(=O)CCN1C(=O)NC(C)(C)C1=O 23641534 XFOUUOQRFGFXIL-SNAWJCMRSA-N 364.427 0.938 50 40 FCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cnn(-c2ccccc2)n1 8881220 HBNMBIQTZGRUHI-MRXNPFEDSA-N 365.349 0.868 50 40 FCGB Cc1cc(C)n(CC(=O)NNC(=O)[C@H](OC[C@@H]2CCCO2)C(C)C)n1 69918820 YWVQMVCYQDGCKQ-GOEBONIOSA-N 352.435 0.868 50 40 FCGB C=CCN1C(=O)NC(=O)/C(=C(/CC)NNC(=O)c2ccccc2O)C1=O 5047263 GTSCZVTWCHQTFZ-ACCUITESSA-N 358.354 0.555 50 40 FCGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C/c1ccccc1 408731322 LTLJBKJMFDBYKW-FRKPEAEDSA-N 356.371 0.601 50 40 FCGB O=C(O)CCOCCOCCOCCOCCOCCBr 575408822 QKETVVWJRQCHDS-UHFFFAOYSA-N 373.240 0.939 50 40 FCGB COc1ccc(C(=O)NNC(=O)COCC(=O)N2CCCCCC2)cc1 4700125 VYNUUEXKPSWULB-UHFFFAOYSA-N 363.414 0.875 50 40 FCGB COC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2c(C)cccn2c1=O 2199976 YXIJPNQIEHYFIZ-JLHYYAGUSA-N 354.366 0.920 50 40 FCGB COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1ccccc1O 9950477 GIEWFBUZRNAPNC-UHFFFAOYSA-N 356.381 0.864 50 40 FCGB COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 18052723 VSYHGLABBSCACZ-GOSISDBHSA-N 365.349 0.610 50 40 FCGB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NN=C2CCCC2)cc1 4416532 GQTGPHGPVOSHPW-UHFFFAOYSA-N 366.443 0.436 50 40 FCGB Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c(C)o1 6600199 IKMDCWHBRZYFFX-UHFFFAOYSA-N 359.338 0.816 50 40 FCGB Cc1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)c2c(C)nn(C)c2n1 17074606 LNQAVYSKNCSJMA-LLVKDONJSA-N 362.459 0.873 50 40 FCGB CCNC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2c(C)cccn2c1=O 2203614 NSSQMSDDHGPZBG-SDNWHVSQSA-N 367.409 0.883 50 40 FCGB Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)NC2CCCCC2)cc1 17050893 RDYQXDQKTIFIRB-UHFFFAOYSA-N 368.459 0.936 50 40 FCGB CCn1nc(C(=O)NNC(=O)c2c(C)nn(C)c2C)c2ccccc2c1=O 25954668 YAJUVIHWFHMQKS-UHFFFAOYSA-N 368.397 0.842 50 40 FCGB O=C(N/N=C1/C[C@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@H]1O2)c1cccc(O)c1 105328381 IHRGXZISWMUBIT-YAQZRLPOSA-N 374.313 0.364 50 40 FCGB Cn1nc(C(=O)NNC(=S)NC[C@@H]2CCCO2)c2ccccc2c1=O 16279077 UJXUVPSOUWIKPQ-JTQLQIEISA-N 361.427 0.221 50 40 FCGB CC[C@H](C)C(=O)NCC(=O)NNC(=O)c1cc(Br)cn1C 70040590 OQRJTMINXYWHLI-QMMMGPOBSA-N 359.224 0.711 50 40 FCGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cn1cn[nH]c1=O 96007088 YROVSKLIJCJLHQ-LLVKDONJSA-N 355.354 0.340 50 40 FCGB CC(C)c1c(C(=O)N/N=C/c2ccc(O)cc2O)nnn1-c1nonc1N 1779191 NHZQMUJFNUQXNQ-UBKPWBPPSA-N 372.345 0.531 50 40 FCGB Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)NCc1nc2ccccc2n1C 8746496 OKERPBGTJHKMQN-UHFFFAOYSA-N 371.357 0.964 50 40 FCGB N#CC(C(=O)COC(=O)c1cc(=O)[nH]c(=O)[nH]1)=C1Nc2ccccc2N1 3332181 XQTQQBQSUWXKOA-UHFFFAOYSA-N 353.294 0.062 50 40 FCGB COc1ccc(CC(=O)NCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 100722731 JPTRBCXURMTWRV-UHFFFAOYSA-N 366.377 0.827 50 40 FCGB COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 5578433 NBWLMVVKBPKPHU-UHFFFAOYSA-N 352.350 0.898 50 40 FCGB Cc1ccc(C(=O)NNC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1[N+](=O)[O-] 408533359 RYQAYPOQXUMGMY-UHFFFAOYSA-N 361.314 0.072 50 40 FCGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)N2 409085286 YVBNNAYRLCYUSA-LLVKDONJSA-N 354.326 0.243 50 40 FCGB O=C(COC(=O)CNC(=O)C1CCCCC1)NNC(=O)c1ccccc1 5809615 PEMDRRDMCCRXKD-UHFFFAOYSA-N 361.398 0.687 50 40 FCGB C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)C[C@@H](C)O1 13122521 JRNPIVZDDPZRMJ-MZJYZEPISA-N 353.382 0.700 50 40 FCGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1Cl 19831273 XNFQPYSGAOHASC-XDHOZWIPSA-N 352.822 0.629 50 40 FCGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 58873995 CMKWALWRLFJEHW-YBFXNURJSA-N 362.430 0.909 50 40 FCGB CCN1C(=O)/C(=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)c2ccccc21 6605783 YFCZCJJCZLYRCK-XDJHFCHBSA-N 356.342 0.987 50 40 FCGB CCCn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]c1=O 12856552 RVFHSUBGRJNBJE-UHFFFAOYSA-N 353.379 0.674 50 40 FCGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccncc2)c2ccccc21 100060716 QABFFRZBKVUNFL-QJOMJCCJSA-N 363.377 0.865 50 40 FCGB COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1[N+](=O)[O-] 12753377 NCIPZRHTHBTVQA-NSHDSACASA-N 357.388 0.709 50 40 FCGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(OCC(N)=O)cc2)[C@H]2CNCC=C12 27129833 VQXHEKIWRAOMOU-WMZOPIPTSA-N 374.404 0.564 50 40 FCGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 8108829 YZLRFXXDNOBBMS-FRKPEAEDSA-N 356.176 0.916 50 40 FCGB CCOC(=O)c1c(S(C)(=O)=O)nn(C(=O)NNc2ccccc2)c1N 16683045 GFYVGVARGGYQQK-UHFFFAOYSA-N 367.387 0.630 50 40 FCGB Cn1cnc2cc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cnc21 95996831 LQGHBJOAUVLWLW-UHFFFAOYSA-N 353.338 0.814 50 40 FCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 4699092 OJZUMTOEFITVCB-CIAFOILYSA-N 374.441 0.910 50 40 FCGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 6879447 VTVLBVLCMIYLSU-UDWIEESQSA-N 360.414 0.664 50 40 FCGB O=C(N/N=C1/C[C@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@@H]1O2)c1cccc(O)c1 9311954 IHRGXZISWMUBIT-RQSUVKSXSA-N 374.313 0.364 50 40 FCGB C/C(=N\NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1ccncc1 13510371 AQGHVUBRZGFIKW-QLPFJNHISA-N 364.409 0.956 50 40 FCGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1 100029979 DYZTZOGZBSHLGF-VXLYETTFSA-N 354.794 0.923 50 40 FCGB COc1cc(/C=N/NC(=O)Cn2cncn2)cc(Br)c1O 2320077 HSYKMYPILDVGOH-SYZQJQIISA-N 354.164 0.905 50 40 FCGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 2541947 WCKRMKFULBSRFZ-GIDUJCDVSA-N 357.290 0.213 50 40 FCGB Cc1cc(O)c2n(CC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nc[n+]2n1 4662762 VIHGWLHZMBCIOV-FRKPEAEDSA-O 356.322 0.089 50 40 FCGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)c1ccccc1O 17525867 DGGJVQBMBRQPTJ-UHFFFAOYSA-N 357.366 0.982 50 40 FCGB