smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1276959 AOJUWBUNWWSWIV-HLPMDPMVSA-N 353.421 2.164 10 40 FECB CC[C@@H](C)N1C(=O)/C(=C\Nc2ccc3oc(=O)ccc3c2)C(=O)NC1=S 9343696 MCTSDDOUOTXNDT-PEHNMLCRSA-N 371.418 2.131 10 40 FECB Cc1cccc(N2C(=O)N=C(O)/C(=C/NCCN3CCCCC3)C2=O)c1 103090388 UDENTDYAXQAECD-SSZFMOIBSA-N 356.426 2.378 10 40 FECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 408894977 SOESWYGFWBRBRD-QTNMRXCUSA-N 372.377 2.446 10 40 FECB Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/N(C)C)C2=O)cc1C 6413328 NVGHTKGQROUUJH-YFHOEESVSA-N 366.215 2.094 10 40 FECB CCOc1ccccc1N1C(=O)/C(=C/NN2CCCCCC2)C(=O)N=C1O 5046108 OEUPNBWZUFOENQ-BUHFOSPRSA-N 372.425 2.137 10 40 FECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCCn1ccnc1 18276166 DYHFVSHAAZMQOT-GHRIWEEISA-N 368.397 2.468 10 40 FECB COc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)c1 40069714 KJVBTYMJUOODEU-CQSZACIVSA-N 362.451 2.020 10 40 FECB COc1ccc(N2CCN(C(=O)Cc3ccccc3C(=O)O)CC2)cc1 71282787 QOMQXKMHGFQQIL-UHFFFAOYSA-N 354.406 2.285 10 40 FECB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(N(CC)CC)cc1 4710342 VEQTYPIAQUIIKF-INIZCTEOSA-N 356.430 2.371 10 40 FECB Cc1cc(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1ccc2c(c1)OCO2 2193806 SGQOJIKCWTXBFA-UHFFFAOYSA-N 353.334 2.413 10 40 FECB CNc1nc2c(s1)[C@@H](c1cc(OC)c(O)c(O)c1OC)CC(=O)N2 66091358 NVBZOTYIUIVUSQ-SSDOTTSWSA-N 351.384 2.087 10 40 FECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(C)cc1 59305936 UMBIJBWBIVLIFX-UHFFFAOYSA-N 366.373 2.332 10 40 FECB COC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 1297759 COBGBYRZDSNXRY-UKTHLTGXSA-N 367.448 2.468 10 40 FECB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ncn(C)c1Cl 27967748 NCPFYINPKLDALZ-UHFFFAOYSA-N 356.879 2.350 10 40 FECB COc1ccc(N2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)cc1 7986809 GDWHDZRGLAZZAQ-IBGZPJMESA-N 366.417 2.126 10 40 FECB COC(=O)C1=CN(c2ccc3c(c2)OCCO3)c2ccccc2S1(=O)=O 64979146 CISXARZZFYSZEQ-UHFFFAOYSA-N 373.386 2.398 10 40 FECB COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408743068 ZCSZRBJRORVAII-RVDMUPIBSA-N 350.330 2.140 10 40 FECB Cc1ccc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)o1 4356947 VZFAYPHWWGJKCN-CMWXKVOJSA-N 355.393 2.107 10 40 FECB COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 1570831 LWLNFIXOPOZENE-UHFFFAOYSA-N 365.341 2.496 10 40 FECB in-vivo COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O 4704556 IFPPWNCPMHVYIT-GXDHUFHOSA-N 352.346 2.376 10 40 FECB CCN1CCN(C2=NC(=O)/C(=C\c3cccc(OC)c3OC)S2)CC1 33333600 KFDRUVNHASCURF-NTCAYCPXSA-N 361.467 2.312 10 40 FECB COc1ccc(N2CCC[C@]3(CN(C(=O)c4cc(C)n[nH]4)CCO3)C2)cc1 96226319 YWIJHIXWJZYZEM-HXUWFJFHSA-N 370.453 2.238 10 40 FECB CCOc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)cccc1OC 8023085 VZODGZACDXCZMB-XFFZJAGNSA-N 353.421 2.380 10 40 FECB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1CCS(=O)(=O)O 4291525 CMJSFHMHKVYYOV-GHXNOFRVSA-N 368.461 2.257 10 40 FECB CN(C)c1ccc([C@H](CNS(C)(=O)=O)N2CCc3ccccc3C2)cc1 35349282 LNXBLLVMGMFPKS-FQEVSTJZSA-N 373.522 2.401 10 40 FECB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 9262237 IULYMLMOKWSZLT-HOTGVXAUSA-N 367.361 2.168 10 40 FECB COc1ccc(CC(=O)c2ccc(O)c(CN3CCN(C)CC3)c2O)cc1 22854464 PUMZVTZHCYKWQF-UHFFFAOYSA-N 370.449 2.279 10 40 FECB biogenic CCN(CC)CCCN/C=C1/C(=O)N=C(S)N(c2ccccc2C)C1=O 102538988 FEYKHZHRALJGKW-SQFISAMPSA-N 374.510 2.359 10 40 FECB O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1ccncc1 6660671 WUZQUZWADQBUNP-MDWZMJQESA-N 373.415 2.039 10 40 FECB CN1CCc2cc([C@H](CNC(=O)c3ccco3)N3CCOCC3)ccc21 22733369 UYPJLIFTWKHHIR-SFHVURJKSA-N 355.438 2.075 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3O)C2=O)cc1 408899905 RTDNHGZZOMQDTF-OQLLNIDSSA-N 368.345 2.076 10 40 FECB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccccc1OC(F)(F)F 34926907 FPFSURLFSRBTGX-QMMMGPOBSA-N 350.343 2.430 10 40 FECB COC(=O)c1ccc2nc(NC=C3C(=O)OC(C)(C)OC3=O)sc2c1 13999635 CAJMOGFGIWENGF-UHFFFAOYSA-N 362.363 2.215 10 40 FECB Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1C(N)=O 95958301 JGJVUKMKQBTQLV-UHFFFAOYSA-N 368.437 2.252 10 40 FECB CN1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 216925667 YIXLRLXSSSKJRJ-UHFFFAOYSA-N 354.410 2.277 10 40 FECB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1O 13058458 KUIWEMNAWDTKLV-WTKPLQERSA-N 359.812 2.340 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 40087831 KWANBOWIDGADBJ-KRWDZBQOSA-N 366.465 2.155 10 40 FECB CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 15725995 OKZJNMSDRMSPJP-UHFFFAOYSA-N 373.478 2.461 10 40 FECB CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 1750282 KMBMOCFNVLMFES-OWBHPGMISA-N 364.492 2.383 10 40 FECB CC(C)c1ccc(/C=C2\SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1 5374236 VKXXWWBXFLZZEO-BPLGCGBFSA-N 351.449 2.457 10 40 FECB CN(C)c1ccc(CN(C(=O)c2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 4030192 WMALBCXDWQLYNG-INIZCTEOSA-N 362.451 2.175 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S 16711911 SEYRALOSZSLTAC-KSRYWAHESA-N 368.392 2.063 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Cl 409391913 KHILIIPOGVSWNM-XYOKQWHBSA-N 357.753 2.410 10 40 FECB COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4)CC2)cc1 78403704 ABURJJXFMJBPNE-UHFFFAOYSA-N 373.478 2.174 10 40 FECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1CSc1ccccn1 2298671 MLVFOADFZIDTEZ-UHFFFAOYSA-N 369.402 2.132 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1276917 XFOBNPDFGBALJN-CLUBXZQOSA-N 352.393 2.358 10 40 FECB COc1cccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)c1OC 12438398 LULKDCUHINDVKH-LBTPYSACSA-N 353.421 2.378 10 40 FECB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1O 32907225 CZUKNEADEAXSCE-HNNXBMFYSA-N 366.204 2.433 10 40 FECB CCOc1ccc(/C=C2\SC(=S)N(N3C(=O)[C@H]4C[C@H]4C3=O)C2=O)cc1 4107931 IHVWRDOPZQJCKF-YNFZXYHTSA-N 374.443 2.206 10 40 FECB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 408548878 MQEOYPUZEHQZRL-LICLKQGHSA-N 367.405 2.219 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)cn3)C2=O)cc1 408533738 OYNQRXGCYYRKKU-LCYFTJDESA-N 372.768 2.322 10 40 FECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 2429157 ASKWRHYDTBEHQR-QBQSQJOESA-N 369.395 2.345 10 40 FECB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccccc1O 9262219 FNOHXNUGTHKIIE-CVEARBPZSA-N 351.362 2.463 10 40 FECB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc2ncccc2c1 408965184 HDXLAUYWNPXGHO-UHFFFAOYSA-N 360.373 2.392 10 40 FECB COC(=O)C1=CN(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O 64979145 UFUMMKPCHNUAEH-UHFFFAOYSA-N 359.359 2.355 10 40 FECB CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 12412876 JICSPTLUWOCIQH-JYRVWZFOSA-N 365.309 2.174 10 40 FECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc(OC)c1O 4976552 CRCKWLVYOOEKTK-QTNMRXCUSA-N 373.405 2.252 10 40 FECB COc1ccc2ccc(OC)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2c1 59109613 KYHMSPVTIKWVGZ-UHFFFAOYSA-N 354.362 2.291 10 40 FECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccc(F)cc2)c1 408806955 NSHDNZVZXXQACC-UHFFFAOYSA-N 370.336 2.163 10 40 FECB COC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 409192428 CIYQGWCSLIZCKS-UHFFFAOYSA-N 374.736 2.136 10 40 FECB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(C)C3=O)c2C)c(C)c1 408757387 MUWOPJWGHNDWLH-OQLLNIDSSA-N 352.394 2.198 10 40 FECB O=C1/C(=C\NN2CCCCC2)C(O)=NC(=S)N1Cc1ccc(F)cc1 34237136 LMTIXRWWHASMIC-UVTDQMKNSA-N 362.430 2.284 10 40 FECB CN(C)c1ccc(CNC(=O)NCCc2nnc3n2CCCCC3)cc1 46072211 QOHICIUKZNWDDS-UHFFFAOYSA-N 356.474 2.112 10 40 FECB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 13425344 GHBAXBPSQSZGHS-MDWZMJQESA-N 366.329 2.090 10 40 FECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)N(C)C)cc1 5340491 URDKNEWTXRQJJC-SFHVURJKSA-N 372.444 2.249 10 40 FECB CC1(C)OCC([N+](=O)[O-])(/[N+]([O-])=N/c2nonc2NC2CCCCC2)CO1 67197400 TWCIWMBFJVSNEM-MNDPQUGUSA-N 370.366 2.164 10 40 FECB CCOc1cc2c(cc1/C=C1\C(=O)NN(c3ccccc3)C1=O)OCO2 33706716 UYMHVXYDTPRKCV-RIYZIHGNSA-N 352.346 2.275 10 40 FECB COc1ccc(/N=N/C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)cc1 17261106 LPSDXVIOWJBFPN-XEXOPBTESA-N 350.375 2.104 10 40 FECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3)C2=O)o1 33732513 VIAIIGDDEYRSPR-GDNBJRDFSA-N 369.377 2.225 10 40 FECB CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 12412892 DPKLSVHUEPYXBH-JYRVWZFOSA-N 365.309 2.174 10 40 FECB COc1ccc(/N=N\C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)cc1 104314261 OPIRBQFWEHOLSR-OCPHHGBZSA-N 364.402 2.493 10 40 FECB Cc1ccccc1/C=C1\SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O 4356748 UPOHVOFCFFRSCF-CHPNCVJKSA-N 351.405 2.124 10 40 FECB O=C(O)CCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)SC1=S 18141027 DUVGVROSFWRBSZ-XFFZJAGNSA-N 368.392 2.366 10 40 FECB O=C1NC(=S)N(Cc2ccccc2)C(=O)/C1=C\NCCc1ccccc1 101034693 BIDVUOCYCXPOBM-LGMDPLHJSA-N 365.458 2.146 10 40 FECB COC(=O)c1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 100713249 QBAOEAVDZSMISY-KAMYIIQDSA-N 365.345 2.052 10 40 FECB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)SC1=S 59514309 DUBDSCVYSYXVQD-RUDMXATFSA-N 355.353 2.430 10 40 FECB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(OC)c1O 4482075 OOSCOQISVSHIKY-NVNXTCNLSA-N 368.389 2.488 10 40 FECB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(C)c3C)C2=O)c1 4498374 KSXHWZVJXIECAR-LICLKQGHSA-N 366.421 2.482 10 40 FECB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1 49740574 SEFOLGDBGBLUOK-UHFFFAOYSA-N 364.442 2.449 10 40 FECB Cc1ccc(N2C(=O)/C(=C/NN3CCCCCC3)C(=O)N=C2O)cc1C 16994860 KAYQSXYGHFSTDZ-FOWTUZBSSA-N 356.426 2.355 10 40 FECB CN1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S 9420371 ZAENCNWVWXJNDF-AWNIVKPZSA-N 360.416 2.130 10 40 FECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Cc1ccccc1F 408872158 ADRKLRSBLXTFMX-UHFFFAOYSA-N 370.405 2.339 10 40 FECB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 408548582 JBPVZRQTPVCELX-OQLLNIDSSA-N 371.368 2.299 10 40 FECB CCOc1cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)c(Cl)cc1OC 409392028 NDJJNRKYRWSSRT-UXBLZVDNSA-N 368.842 2.394 10 40 FECB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)N2CCNC(=O)C2)c1C 33019782 TTXGPFLJQHYVFZ-UHFFFAOYSA-N 361.829 2.328 10 40 FECB CC(=O)c1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)n(C)c1 8417257 FITXDLLPQGHYGZ-UHFFFAOYSA-N 371.437 2.109 10 40 FECB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c(c2)OCCO3)C1=O 9324168 HKMRBLYYMGTZIK-UVTDQMKNSA-N 364.357 2.433 10 40 FECB COc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c(OC)c1 59594927 UJWMGSAINWNYFH-XYOKQWHBSA-N 358.375 2.128 10 40 FECB COc1cccc(OC)c1C(=O)NCc1ccc(N2CCOCC2)cc1 13646749 LCQUAPNGTLXQCM-UHFFFAOYSA-N 356.422 2.470 10 40 FECB COc1cc(/C=C2\C(=O)N=C(O)N(Cc3ccc(F)cc3)C2=O)ccc1O 16996422 DNQKMVGMEMHWFK-RIYZIHGNSA-N 370.336 2.406 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1O 408850111 GEESYTIURFICPH-MDWZMJQESA-N 356.309 2.206 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1cccc([N+](=O)[O-])c1 5552852 IYTSRYFUTQTFTN-WQLSENKSSA-N 374.403 2.469 10 40 FECB COc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 19912059 RXUPYOOICPCNPB-KAQJVSAMSA-N 369.489 2.084 10 40 FECB COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N(C)C)cc3)CC2=O)cc1 30523555 NGZWIOMCNDZTQY-INIZCTEOSA-N 367.449 2.431 10 40 FECB COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)ccc1O 4714018 CMIJSIDLACUZOL-NSHDSACASA-N 357.229 2.121 10 40 FECB O=C1N=C(O)NC(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4704625 ZXXIVXVDWXTWOF-UHFFFAOYSA-N 361.697 2.462 10 40 FECB COc1ccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 7238966 ZFFGWAUWOWPCBZ-UHFFFAOYSA-N 356.382 2.029 10 40 FECB Cc1ccc(N2NC(=O)/C(=C3/C(=O)Nc4ccccc43)C2=O)cc1Cl 751823 ZOMJPYNPEKANGE-PFONDFGASA-N 353.765 2.432 10 40 FECB CN1CCCc2cc(/C=C/C(=O)OCC(=O)NC(=O)NC(C)(C)C)ccc21 64184056 HVUVDUQOVZYETJ-CSKARUKUSA-N 373.453 2.250 10 40 FECB COC(=O)C1=C(C)N2C(=N)/C(=C/c3ccc(OC)cc3)C(=O)N=C2S1 41074370 SEQVUPILCIDRIQ-PEMMUPCOSA-N 357.391 2.405 10 40 FECB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NN1CCN(C)CC1 112116362 XJGRWCRZXHRMTR-JXAWBTAJSA-N 359.449 2.354 10 40 FECB CC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 110357930 ZZXHOKBABNPAOI-DHDCSXOGSA-N 353.334 2.057 10 40 FECB CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)NC1=S 409390534 DZWMVCIFDJOSMI-LCYFTJDESA-N 370.386 2.291 10 40 FECB CN(C)c1ccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 7086192 DANAESVGUNRFAM-UHFFFAOYSA-N 353.344 2.250 10 40 FECB Cc1cccc(N/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)c1 100261029 GLOKSBSAEWYJPY-PTNGSMBKSA-N 374.400 2.382 10 40 FECB CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409100467 NRHSQBRLIDKNJF-GXDHUFHOSA-N 363.395 2.488 10 40 FECB O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 95446855 IOFNPUNBWZVMQP-IPCNLGOESA-N 354.410 2.468 10 40 FECB COC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 5798264 SGZOSVIVBDGJKT-RVDMUPIBSA-N 365.345 2.052 10 40 FECB CCN(CC)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br 5736563 UKTJYYKGTIVUEB-UHFFFAOYSA-N 366.215 2.045 10 40 FECB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1O 4992968 PJJHAMIRCCUOJE-IZZDOVSWSA-N 364.785 2.459 10 40 FECB Cc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(O)c1 55916064 CWLYZRTVORHKNZ-MRXNPFEDSA-N 367.449 2.332 10 40 FECB Nc1nc(Cl)cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 52457654 QNLITPGGCHZDOT-UHFFFAOYSA-N 351.813 2.425 10 40 FECB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccn2)SC1=S 5477975 ZOTRGBRZFLKMPB-UBYNWHESSA-N 354.478 2.489 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C2/C(=O)Nc3c(C)cccc32)SC1=S 27563188 ZOBMVMWWXJULOJ-UGFBRPNYSA-N 362.432 2.080 10 40 FECB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=S)NC2=O)cc1 34926898 IFGMHXUEEBMOLA-GFCCVEGCSA-N 366.464 2.489 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 1277109 PWAYDJQOOVYRKO-JYRVWZFOSA-N 367.448 2.468 10 40 FECB COc1ccc(N2CCN(CCCNCc3c(C)nn(C)c3C)CC2)cc1 12799450 GXLSOVFCWMHVGW-UHFFFAOYSA-N 371.529 2.347 10 40 FECB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C1/C(=O)N(C)c2ccccc21 96843604 RFBQOWHBLFGMLU-NGWPFTMJSA-N 371.462 2.377 10 40 FECB COc1ccccc1N/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 2892768 XBSOXRDESFHUQQ-GXDHUFHOSA-N 369.352 2.409 10 40 FECB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(O)c(Br)c1 2589198 RNKDVYCYRGDGJM-XYOKQWHBSA-N 369.240 2.457 10 40 FECB COc1ccc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(O)c1 19551832 BULJDZWKMAMGEO-UHFFFAOYSA-N 364.405 2.104 10 40 FECB CN1CCCc2cc(CN3CCC(c4nnc5n4CCNC5)CC3)ccc21 19711230 YKHKEGNNVFJMOT-UHFFFAOYSA-N 366.513 2.143 10 40 FECB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCCOc2ccccc2)c1 4575653 HHVCJWSELGTMFB-UHFFFAOYSA-N 368.414 2.059 10 40 FECB C[C@@H]1C[C@@]2(C[C@@](C)(C3=NC(Nc4ccccc4)=S=C3)OC2=O)C(=O)O1 102631629 REKKQBUWJUBXAW-CNOZUTPLSA-N 358.419 2.203 10 40 FECB O=C1NC(=O)C(=CNc2nc3c(Cl)cc(Cl)cc3s2)C(=O)N1 13999611 CCXIBQRUCRTMQA-UHFFFAOYSA-N 357.178 2.265 10 40 FECB CN1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2C2CCCC2)CC1 19589880 RKFAEZZMXNQWEQ-LJQANCHMSA-N 369.517 2.191 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc([N+](=O)[O-])cc1 5552856 HYGXBMSIZVBSIZ-WQLSENKSSA-N 374.403 2.469 10 40 FECB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N3CCOCC3)c2C)cc1 2654534 MGEZMRBABYDKHU-UHFFFAOYSA-N 356.422 2.418 10 40 FECB CC(=O)Nc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 27930078 WRKIYKRBYLTJII-UHFFFAOYSA-N 367.452 2.223 10 40 FECB CCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 2773286 SZXZHUKGOVXBOK-UHFFFAOYSA-N 368.842 2.442 10 40 FECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2ccccc2F)c1 408874249 AOJHKSSGQLZPGW-UHFFFAOYSA-N 354.337 2.175 10 40 FECB O=C1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCN1C1CCCC1 19658367 LHYPUEOSDRDPKC-UHFFFAOYSA-N 361.461 2.249 10 40 FECB O=C(O)[C@@H](CO)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5374293 XZVLGZRDWYTLGI-RUKZRKJTSA-N 369.851 2.456 10 40 FECB CCn1nc(C)c(N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C 408757626 OBNUFSKZSZPZLE-XNTDXEJSSA-N 367.409 2.407 10 40 FECB CC(=O)Oc1ccc(N2C(=O)C/C(=C\c3ccc(O)c(O)c3)C2=O)cc1 9047263 CJZUZQMKUWLWCR-MDWZMJQESA-N 353.330 2.370 10 40 FECB Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1ccc(N(C)C)cc1 47929388 QNVXHRAOQIIKFQ-UHFFFAOYSA-N 351.414 2.358 10 40 FECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 409394136 WFEVMQZHTADXKQ-SFQUDFHCSA-N 374.356 2.244 10 40 FECB COc1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41084961 GNEXATHGFHZOOH-OVPUCLHSSA-N 355.423 2.368 10 40 FECB CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 7908454 AOBZMBRXTOROGB-UHFFFAOYSA-N 362.451 2.392 10 40 FECB O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccncc1 16755437 RDUPKLFOXJQQJS-LCYFTJDESA-N 357.416 2.333 10 40 FECB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cccc(O)c1 408526163 ABDQLAPOPCTEEL-FOWTUZBSSA-N 351.362 2.009 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 208471315 MUPJEZMTXSUUBN-RIYZIHGNSA-N 366.329 2.090 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)n[nH]c3C)C2=O)cc1C 408756985 KZSHECJIONSCAT-RIYZIHGNSA-N 353.382 2.222 10 40 FECB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1 1191961 NZXSGALZXYZUSH-LFIBNONCSA-N 352.346 2.030 10 40 FECB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OC 409373545 UQNPFUJNAAVPIF-NTEUORMPSA-N 370.361 2.349 10 40 FECB COc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)cc1OC 14671679 YFZZDFALGOBYBL-LQGZHCLWSA-N 353.421 2.378 10 40 FECB Oc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)c(O)c1 13122395 QMEJNVDKJDCDRO-UHFFFAOYSA-N 357.391 2.423 10 40 FECB aggregator CN(C)C(=O)N[C@@H]1COC2(CCN(Cc3ccc(N(C)C)cc3)CC2)C1 96073268 CKDPGTVVTNJKRU-KRWDZBQOSA-N 360.502 2.147 10 40 FECB NC(=O)c1cnc(NCc2ccc(N3CCOCC3)c(F)c2)c(Cl)c1 54061234 IFWHRQMCRHXUCO-UHFFFAOYSA-N 364.808 2.422 10 40 FECB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 16401123 OQJNVRPPBAREKS-GXDHUFHOSA-N 357.366 2.092 10 40 FECB COc1ccc(N2CCN(C(=O)COC(=O)Cc3cccs3)CC2)cc1 5709642 XIGFKTFOHGBMPC-UHFFFAOYSA-N 374.462 2.191 10 40 FECB CCOc1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 110510834 HEFFYGQTNSFFMA-RAXLEYEMSA-N 355.350 2.253 10 40 FECB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 409192703 ZEZQJRGCSSXDOF-MDWZMJQESA-N 356.359 2.118 10 40 FECB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(O)c1 2203434 OMTHARPYAACYBO-UHFFFAOYSA-N 353.378 2.234 10 40 FECB NC(=O)c1cc(C2=NN=C(NCCc3ccccc3)SC2)ccc1O 12938109 LXOBWCORWVIGGU-UHFFFAOYSA-N 354.435 2.130 10 40 FECB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)cc1 1053443 IOQFIDGJBCTKPU-NTEUORMPSA-N 354.387 2.406 10 40 FECB COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)c1 12438402 ISEDECUOEPIKHD-OTIXFSKASA-N 353.421 2.378 10 40 FECB COc1ccc(OC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 85842853 WEWPOVMBXFAXAC-GOSISDBHSA-N 372.465 2.266 10 40 FECB CN1C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C(=O)N(C)C1=S 2376799 MQVITLBRFOUNSU-UHFFFAOYSA-N 368.462 2.142 10 40 FECB CCOc1ccc(N2CN=c3s/c(=C\c4ccccc4)c(=O)n3C2)cc1 4663651 OQIJBRHOQVMEDE-PDGQHHTCSA-N 365.458 2.192 10 40 FECB CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 72303736 ONKYBNLUVHVHRV-OAHLLOKOSA-N 357.454 2.127 10 40 FECB O=C(CSc1nc(-c2ccc(O)c(O)c2)cs1)N1CCOCC1 11027283 QWOXDLAFIRLQJY-UHFFFAOYSA-N 352.437 2.172 10 40 FECB c1ccc(Cn2cncn2)c(CNCc2ccc(N3CCOCC3)cc2)c1 48711264 XIWOEIDYKNCXFM-UHFFFAOYSA-N 363.465 2.453 10 40 FECB CN(CCOc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1)c1ccccn1 20388189 BMJGZYVMFUVWKE-UHFFFAOYSA-N 366.377 2.187 10 40 FECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc2c(c1)OCO2 6395077 AUFFOFZBHPUCBI-QDECMSLZSA-N 371.389 2.267 10 40 FECB CCOC(=O)N1CCN(/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1 9051242 UKPCYLAWROFRBB-ACCUITESSA-N 369.512 2.405 10 40 FECB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1 660680 BWXDHTMRNABGOU-OQLLNIDSSA-N 355.419 2.226 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=S 1810167 CISNZGGJXZDIFN-WYNUBKAASA-N 362.432 2.080 10 40 FECB CN1C(=O)NC(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C1=O 6178497 OAZWVCVJUCZDQR-XNTDXEJSSA-N 367.317 2.479 10 40 FECB CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408537555 WFGWPDBNSOWWMP-WXJCNPFISA-N 368.389 2.262 10 40 FECB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)cc3)C2=O)cc1 5125624 JAQBSGDFNSRHEJ-WJDWOHSUSA-N 352.346 2.457 10 40 FECB CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)O)SC1=S 409338353 IHQNCRNFTLDEHO-XFFZJAGNSA-N 353.421 2.380 10 40 FECB CCN(CC)c1ccc(CN2CCc3nc(C)[nH]c(=O)c3C2)c(OC)c1 12117855 XOLTUTHCYWAOAS-UHFFFAOYSA-N 356.470 2.491 10 40 FECB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/NCCN(CC)CC)C1=O 102525099 WUEYGEKALRFMEV-YPKPFQOOSA-N 374.441 2.324 10 40 FECB CCOc1ccccc1/C=C1\SC(N2CCN(C(C)=O)CC2)=NC1=O 16852211 QKMTZHQPUIAXIM-VBKFSLOCSA-N 359.451 2.220 10 40 FECB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1O 27369868 LOXAITKVQMCGRE-BJMVGYQFSA-N 371.212 2.270 10 40 FECB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Cl)cc1OC 59140108 NGPCNVOCJIJDIV-UHFFFAOYSA-N 368.842 2.346 10 40 FECB CCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC 17074200 JGKRRJAUGTWREI-WJDWOHSUSA-N 360.370 2.134 10 40 FECB COc1ccc(-n2nnnc2CNC(=O)Nc2c(F)cccc2F)cc1 9571374 LBKSWMDYFRCTSP-UHFFFAOYSA-N 360.324 2.271 10 40 FECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 2429159 ASKWRHYDTBEHQR-PAKSIRSJSA-N 369.395 2.345 10 40 FECB C/C(=C1/SC(=S)N(CCS(=O)(=O)O)C1=O)c1ccc(F)cc1 6561896 FRJHHBQTGXYQFF-FLIBITNWSA-N 361.441 2.305 10 40 FECB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)NC1=S 409392181 NUGQCQSJIOCQCQ-GXDHUFHOSA-N 361.442 2.463 10 40 FECB COC(=O)CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S 28048181 CKNQNUYNRAAFDB-XFFZJAGNSA-N 368.392 2.065 10 40 FECB COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)c1 408999837 WDOPSPJIJOFMEZ-UHFFFAOYSA-N 374.736 2.136 10 40 FECB CN(C)c1ccc(CNC(=O)NCc2ccc(-n3cccn3)nc2)cc1F 58289764 MRDMGYVOYIPLSD-UHFFFAOYSA-N 368.416 2.472 10 40 FECB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409238358 XDFYEGSDDJKRHL-MHWRWJLKSA-N 352.394 2.106 10 40 FECB Cc1cnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1 48365462 LJIMLJVDXXKAID-OKILXGFUSA-N 358.417 2.468 10 40 FECB O=C1c2ccc(S(=O)(=O)O)cc2C(=O)c2c([N+](=O)[O-])ccc(Cl)c21 4091254 IPWMWWYESHAYJA-UHFFFAOYSA-N 367.722 2.270 10 40 FECB COc1ccc(N/C=C2/C(=O)N(c3ccc4nnc(C)n4n3)N=C2C)cc1 36357793 SMQJYMFTCDPONP-XNTDXEJSSA-N 363.381 2.160 10 40 FECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2F)SC1=S 4357052 BYCHYEZRYMYIHZ-QBQSQJOESA-N 369.395 2.345 10 40 FECB CN1CCc2cc([C@@H](CNC(=O)NC(C)(C)C)N3CCOCC3)ccc21 35597230 SJSSBSIFZXHUCC-GOSISDBHSA-N 360.502 2.150 10 40 FECB CCC[C@@H](C(=O)Nc1cc(C)on1)N(CCC(N)=O)c1ccc(OC)cc1 9221374 FWPGTDINPDOXAZ-INIZCTEOSA-N 374.441 2.481 10 40 FECB COCCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S 9189376 KXHJQMJHPQUVIW-WQLSENKSSA-N 355.437 2.257 10 40 FECB COc1ccc(N2CCN(CC(=O)NCc3ccccc3C)CC2)cc1 58031571 GWKCSXPRKLJOSD-UHFFFAOYSA-N 353.466 2.442 10 40 FECB CC(C)CC(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 6349290 BIRWQLYELKFAJB-KRWDZBQOSA-N 352.500 2.314 10 40 FECB Cc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)o1 4356950 VZFAYPHWWGJKCN-ZFZMKPAXSA-N 355.393 2.107 10 40 FECB O=C1c2ccccc2-c2onc3c(NCCO)cc(N4CCOCC4)c1c23 4718026 KEUJDFIOKUFLJU-UHFFFAOYSA-N 365.389 2.280 10 40 FECB Cc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1 408951653 MGRDGKSRVANYGI-RIYZIHGNSA-N 350.330 2.390 10 40 FECB CCN(CC)c1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cc1 54086449 GNMXEPQGTUWXKC-UHFFFAOYSA-N 350.426 2.439 10 40 FECB O=C(O)CN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC1=S 2029795 FBDQKRAWGRTSAE-RBMCBPMHSA-N 350.377 2.437 10 40 FECB COc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)C(=O)NC2=S)cc1 408765738 ZSLXCLRUIQJZOX-GDNBJRDFSA-N 354.387 2.232 10 40 FECB O=C(O)CN1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S 5214855 NSJJMWKNXHHMIK-BBOZHSEUSA-N 350.377 2.437 10 40 FECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc2c(c1)OCO2 6395079 AUFFOFZBHPUCBI-QVTJDRNWSA-N 371.389 2.267 10 40 FECB O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@H]1COCCO1 66322998 AGQBVRFOCNTICU-OAHLLOKOSA-N 374.359 2.086 10 40 FECB CC(=O)N1C(=O)/C(=C2\SC(Nc3cccnc3)=NC2=O)c2ccccc21 5214926 OJCSOCKXGPPFTD-PFONDFGASA-N 364.386 2.427 10 40 FECB CC(C)CC(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 6349289 BIRWQLYELKFAJB-QGZVFWFLSA-N 352.500 2.314 10 40 FECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2)N(C)C)cc1 4330384 AVYUQRBPJCFBHT-SFHVURJKSA-N 354.454 2.110 10 40 FECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccc(C)cc2)c1 408819470 XFDZTPZZZADDNH-UHFFFAOYSA-N 366.373 2.332 10 40 FECB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 4992984 ZCTYFXMLUUZMLM-VZUCSPMQSA-N 362.769 2.473 10 40 FECB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NN1CCOCC1 100423271 YDDTVWVMKYJYNP-JXAWBTAJSA-N 358.442 2.309 10 40 FECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cl)cc1 101474735 IWYNAQVDYDYAGD-JGWKKKPCSA-N 353.831 2.041 10 40 FECB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(F)c2)cc1 408891437 QMGBDOAKLIGTKN-UHFFFAOYSA-N 356.378 2.319 10 40 FECB CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)cc1 96245549 LPYSKKSCYDYRFR-RTBURBONSA-N 350.466 2.352 10 40 FECB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/N1CCOCC1 100148444 SDRZPCNYSHMWGK-GXDHUFHOSA-N 350.216 2.388 10 40 FECB COc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc(OC)c1O 12418365 YGUGABHARSUMMV-QPEQYQDCSA-N 358.325 2.010 10 40 FECB COc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2C)c1 40069715 KJVBTYMJUOODEU-AWEZNQCLSA-N 362.451 2.020 10 40 FECB Cc1ccc(NC[C@H](O)[C@H](O)[C@H](O)CO)c(/N=N/c2ccccc2)c1C 5005333 BVMBLTCSAVCYFW-OEENTXNTSA-N 359.426 2.206 10 40 FECB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)N(C)C 6339259 PGHUCUPETQLVNY-JYRVWZFOSA-N 366.464 2.041 10 40 FECB O=C1NC(=S)NC(=O)C1=CNCCC(c1ccccc1)c1ccccc1 60862566 ZZLDFACCEFISFJ-UHFFFAOYSA-N 365.458 2.213 10 40 FECB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCC(=O)O 8411957 WEOJYEZJXFUJLU-XYOKQWHBSA-N 353.421 2.428 10 40 FECB CN(C)c1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 12533266 DDWNYRWIGCTARN-UHFFFAOYSA-N 350.422 2.238 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(O)cc3C)C2=O)cc1 408529241 IVEUUJXWCNBWBC-GDNBJRDFSA-N 367.361 2.288 10 40 FECB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2ccc(F)cc2O)C1 2055750927 NOPQCWYXCQOIAA-LJQANCHMSA-N 361.392 2.473 10 40 FECB Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@@H]2c1ccc(N(C)C)cc1 9265116 XYAFPPQWMUZFRE-SFHVURJKSA-N 366.469 2.432 10 40 FECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(F)cc3)CC2)cc1 3555405 SMTQCSXYHGDKRO-UHFFFAOYSA-N 372.396 2.340 10 40 FECB COc1ccccc1/C=C1/SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2281100 ZENUTRKZCJXBNH-ZWSXMNCCSA-N 369.489 2.084 10 40 FECB COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 408547941 AXWPGBYRTYNVPC-YBEGLDIGSA-N 353.378 2.160 10 40 FECB CC(C)(CO)NC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 95476256 KQDHNTZCTKCJLH-UHFFFAOYSA-N 362.385 2.215 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 1276987 HXPMDJWREVGHAM-PGEKAQRJSA-N 367.448 2.467 10 40 FECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NNc3ccccc3)C2=O)c1 408534062 UQVHTPKHYLJXEZ-RVDMUPIBSA-N 350.378 2.387 10 40 FECB COc1ccc(N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 3555418 FLFCMDCBSMIOST-UHFFFAOYSA-N 371.393 2.331 10 40 FECB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(F)cc1 408596390 YVBBZWHAZZQLBZ-OVCLIPMQSA-N 357.341 2.211 10 40 FECB CN1C(=O)NC(=O)/C(=C\Nc2ccc(Br)cc2Cl)C1=O 408536442 WNCZFWIBDQIJSU-FNORWQNLSA-N 358.579 2.107 10 40 FECB O=C(COC(=O)c1ccc(O)cc1O)NCc1ccc(N2CCCC2)cc1 50495381 WCMAIZDFJDIPFC-UHFFFAOYSA-N 370.405 2.171 10 40 FECB CC1=NN(c2nnn[nH]2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102570556 DPKLSVHUEPYXBH-MDWZMJQESA-N 365.309 2.174 10 40 FECB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)n[nH]c3C)C2=O)c1C 408758095 VFESPWAPXYVNMB-MDWZMJQESA-N 353.382 2.222 10 40 FECB COc1ccc(N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1 7059916 HVFQJFLQHCVNIE-UHFFFAOYSA-N 374.462 2.409 10 40 FECB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(C)C2=O)o1 4550935 DKUHBSWWANYKIY-JYRVWZFOSA-N 371.374 2.420 10 40 FECB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccn2C)SC1=S 2401951 HPHYVEJFFVYTJV-NGPGYTDTSA-N 356.494 2.433 10 40 FECB COc1ccc(N2CCN(CC(=O)Nc3cccc(C(=O)O)c3)CC2)cc1 4926648 GCZGXXHZQZADDA-UHFFFAOYSA-N 369.421 2.154 10 40 FECB COCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)C(C(=O)OC)=C1C 4152036 LMUKZRJCYSFYJT-PTNGSMBKSA-N 361.394 2.023 10 40 FECB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccn2C)SC1=S 2401952 HPHYVEJFFVYTJV-DFYQSJSGSA-N 356.494 2.433 10 40 FECB Cc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(O)c1 55916063 CWLYZRTVORHKNZ-INIZCTEOSA-N 367.449 2.332 10 40 FECB Cc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2c1 1464155 OIWFAZSHCOALDX-SDQBBNPISA-N 360.416 2.122 10 40 FECB Nc1ccccc1C(=O)n1[nH]c(=O)c(N=Nc2ccc([N+](=O)[O-])cc2)c1N 245239627 LFRSAUQVMRADKD-UHFFFAOYSA-N 367.325 2.353 10 40 FECB C[C@@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1 58298809 KMLJZPTUICSXAE-RBSFLKMASA-N 365.449 2.370 10 40 FECB COc1ccccc1N1C(=O)/C(=C/c2ccc(O)cc2)C(=O)NC1=S 4689288 YQXJZPQHAGSIDR-JLHYYAGUSA-N 354.387 2.232 10 40 FECB O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 66323134 RNEFAAMGFOLZLT-ZIAGYGMSSA-N 373.331 2.335 10 40 FECB C#CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551736 VVWHIFHIKZUOTC-QINSGFPZSA-N 363.329 2.068 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1cccc(O)c1 1850173 BIZGNVPCNDASCW-LCYFTJDESA-N 357.416 2.333 10 40 FECB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1cccnc1 4741357 XMPXXCUXWFOKQB-RGEXLXHISA-N 364.405 2.411 10 40 FECB COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(C)=O)CC3)c2C)cc1 48303773 KMQWHGSKMARLKV-UHFFFAOYSA-N 355.438 2.407 10 40 FECB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 408904022 CKQKFXNTKMAZRT-JXMROGBWSA-N 371.280 2.106 10 40 FECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1 408948180 DYZADKMOIDEIOO-RIYZIHGNSA-N 366.329 2.090 10 40 FECB COC(=O)CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 1297760 COBGBYRZDSNXRY-LCYFTJDESA-N 367.448 2.468 10 40 FECB CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C/Nc1ccccc1F 36358857 PNTXBUQEBQDNNM-FMIVXFBMSA-N 351.345 2.290 10 40 FECB CCN(CCO)C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 5857320 RDUGOGYZCNBECM-ZRDIBKRKSA-N 370.521 2.180 10 40 FECB COc1ccc2c(c1)CCCN2CC(=O)NC[C@@H]1COc2ccccc2O1 19664376 QYGGRZGLHURCDB-QGZVFWFLSA-N 368.433 2.404 10 40 FECB COc1cccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)c1OC 12438400 LULKDCUHINDVKH-XAPLUZPNSA-N 353.421 2.378 10 40 FECB CN1C(=O)N=C(O)/C(=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C1=O 20146184 ZHMUIMWZJVYYQK-UQCOIBPSSA-N 373.148 2.389 10 40 FECB CCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3c(C)cccc32)SC1=S 1810138 DKFLHBJALCVYSF-QBFSEMIESA-N 362.432 2.082 10 40 FECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O 1192764 LBNAOZUAVXVSMP-NTEUORMPSA-N 352.346 2.376 10 40 FECB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(F)cc1 5030271 AFBUHRCNZRSENG-DHDCSXOGSA-N 357.410 2.490 10 40 FECB COc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)c(OC)c1OC 13777737 DTFZIDBNXBTCAO-RAXLEYEMSA-N 364.423 2.015 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3)C2=O)cc1 6793608 ANSYEORLDWLYJU-LFIBNONCSA-N 352.346 2.370 10 40 FECB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(N)=O 15013206 GKLMJHVYAASSGR-YBEGLDIGSA-N 365.389 2.365 10 40 FECB CCN(/C=C1/SC(=S)N(C2CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 101480473 FIUXBXGMBFMGSQ-OQZOHAQUSA-N 374.553 2.140 10 40 FECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccccc2F)c1 408894500 IGJBHKQSBIQJMH-UHFFFAOYSA-N 370.336 2.163 10 40 FECB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 20003859 KVOQUSVBCFRCGB-UHFFFAOYSA-N 373.478 2.458 10 40 FECB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)o1 408913750 NNPLSUFKXBYAKK-MDWZMJQESA-N 371.374 2.420 10 40 FECB O=C1NC(=O)C(=Cc2ccc(-c3ccccc3Br)o2)C(=O)N1 2287303 OPGCYXULLYGEGF-UHFFFAOYSA-N 361.151 2.459 10 40 FECB biogenic O=C1CN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)CCN1 42078357 QASHKRODPJHFLA-OALUTQOASA-N 367.424 2.182 10 40 FECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(O)c(OC)c1 408797937 ULTWOJOSDPRKDK-UVTDQMKNSA-N 361.394 2.110 10 40 FECB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 85413043 OYSGYARHQRQTMK-WMLDXEAASA-N 354.314 2.270 10 40 FECB CN(C)c1ccc(CNC(=O)CCn2cnc3sccc3c2=O)cc1 14527404 TUCLNAUSGKCFFD-UHFFFAOYSA-N 356.451 2.231 10 40 FECB CN(C)c1ccc(CN2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)cc1 96245547 LPYSKKSCYDYRFR-KDURUIRLSA-N 350.466 2.352 10 40 FECB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2O)C3)C1 19496604 XAFRBQGPAXGPDU-CQSZACIVSA-N 354.454 2.270 10 40 FECB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F 32906373 GQTAEOGIHFXRSA-ZDUSSCGKSA-N 350.415 2.150 10 40 FECB COCCN1C(=O)[C@H](Cc2cc3c(cc2Cl)OCO3)SC1=S 8104613 PQRLBXOFIPMVRU-LBPRGKRZSA-N 359.856 2.487 10 40 FECB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)c1 408807319 BTGYGOKWCLIQMS-YBEGLDIGSA-N 353.378 2.451 10 40 FECB Cc1cccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)c1 27530387 UCEWHKKMNHWVOP-OTXQMUPVSA-N 351.405 2.124 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)CC2(CCCC2)C1=O 23642318 BOKWSYRMBSSSHH-UHFFFAOYSA-N 371.481 2.232 10 40 FECB O=C(NCCO)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 199407588 OKQWGHLHMVPNOH-QGZVFWFLSA-N 360.841 2.081 10 40 FECB CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(c3ccccc3)CC2)c1 55162974 WXYIWMWNHDZGIP-UHFFFAOYSA-N 360.435 2.225 10 40 FECB O=C(O)Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 5123899 OGFPIOFDEKLQHV-YBEGLDIGSA-N 361.357 2.187 10 40 FECB COc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)cc1 8029059 LPHFBYKYBDFEPJ-UHFFFAOYSA-N 368.433 2.358 10 40 FECB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3O)C2=O)cc1 59484147 WFNHSHQBILMQTL-PTNGSMBKSA-N 352.346 2.457 10 40 FECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)N(C)C)cc1 5340475 GJFDPROQEQPGAC-GOSISDBHSA-N 372.444 2.249 10 40 FECB COC(=O)CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 33377244 HYNXHBUTKYOISB-WQLSENKSSA-N 353.421 2.165 10 40 FECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(C(=O)O)cc1 105523529 YCWAFSWHTIDEII-PTNGSMBKSA-N 359.378 2.094 10 40 FECB CN(C)CCNC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 35327532 JQSBZSULAJIYCP-UHFFFAOYSA-N 361.401 2.006 10 40 FECB CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1748094 AHIQROHXIMRXMI-OUKQBFOZSA-N 362.432 2.099 10 40 FECB COc1ccc(N2CCN(C(=O)COC(=O)c3cccs3)CC2)cc1 3555529 KGDVYHNWJKNZDR-UHFFFAOYSA-N 360.435 2.262 10 40 FECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC 409390367 FDCSDCAAXPPLFI-GXDHUFHOSA-N 367.361 2.155 10 40 FECB CC(C)CNC(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4834420 ITERLLQTIYNDBL-UHFFFAOYSA-N 366.417 2.252 10 40 FECB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc3oc(=O)ccc3c2)C(=O)NC1=S 9303374 MCTSDDOUOTXNDT-AVMBBCFPSA-N 371.418 2.131 10 40 FECB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1 226860747 PZWNYOTYIIBQST-UHFFFAOYSA-N 371.754 2.243 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 18150570 FUKPSTAAVFBEGO-UHFFFAOYSA-N 364.449 2.201 10 40 FECB O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@H]1c1ccccc1O 95115925 RGTSSXAVNCVLNQ-KRWDZBQOSA-N 371.462 2.464 10 40 FECB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCC(=O)O)SC1=S 1581271 ZVQAHFIRHGDKGK-WDZFZDKYSA-N 368.392 2.279 10 40 FECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(Cl)nc12 13774599 BJOUNNSNDNTADJ-TWGQIWQCSA-N 351.840 2.487 10 40 FECB Cc1cccc(COc2ccccc2C=C2C(=O)NC(=S)NC2=O)c1 408864904 AYSLEJJLHXXDGA-UHFFFAOYSA-N 352.415 2.488 10 40 FECB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 2565321 HHZNREZBHSAEEX-JUTLINNMSA-N 363.416 2.372 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)Cc1ccccc1 9365615 LEFKFHVGXZNOES-UHFFFAOYSA-N 360.479 2.485 10 40 FECB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC 3532609 CWCOIGKZYRXEEV-KPKJPENVSA-N 353.421 2.380 10 40 FECB COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc(OC)c1O 5544243 SZVXCQFODRBLBH-ZSOIEALJSA-N 354.362 2.179 10 40 FECB CCOc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1OC 9188909 HWLPPUJOUXQIEN-VBKFSLOCSA-N 361.467 2.312 10 40 FECB CCN1CCN(C(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)CC1 54105806 WUHOBQCXVHKVNG-UHFFFAOYSA-N 352.390 2.141 10 40 FECB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2ccc(F)cc2O)C1 2055750926 NOPQCWYXCQOIAA-IBGZPJMESA-N 361.392 2.473 10 40 FECB COc1cccc(-n2c(C)cc(C(=O)N3CCN(C(C)=O)CC3)c2C)c1 40069514 VVCDYYYEIOOCKD-UHFFFAOYSA-N 355.438 2.407 10 40 FECB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCN(c3ccccc3)CC1)C(=O)C2=O 101416615 OFYWUUOWTYXCDH-NHCUHLMSSA-N 354.450 2.300 10 40 FECB CC(=O)N(C(C)=O)S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 18043722 PSBCBIWXUCBOJL-WUKNDPDISA-N 352.416 2.255 10 40 FECB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)o1 13546609 DKUHBSWWANYKIY-MDWZMJQESA-N 371.374 2.420 10 40 FECB COc1ccc(N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 55669510 FDKSRAILZXAMQQ-UHFFFAOYSA-N 365.455 2.201 10 40 FECB CCOC(=O)CCC(=O)Oc1cccc2c1C(=O)c1c(O)cccc1C2=O 5663330 AMTXZLNENMZIHP-UHFFFAOYSA-N 368.341 2.416 10 40 FECB C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1O)C2 19496424 ITKMNHJKFJPIHE-AWEZNQCLSA-N 354.454 2.413 10 40 FECB COc1cccc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)c1OC 13815224 FMUCKTKSQJMXCV-RAXLEYEMSA-N 366.464 2.152 10 40 FECB O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc2c1OCCO2 58416644 UHWNMBDDKUEBEZ-UHFFFAOYSA-N 372.396 2.364 10 40 FECB CN1C(=O)C(=CNCCCCCCCCCCC(=O)O)C(=O)N(C)C1=O 19708082 OIBAIQYQCNVSFD-UHFFFAOYSA-N 367.446 2.106 10 40 FECB COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=S)NC3=O)c2C)cc1 15723385 BWXDHTMRNABGOU-DHDCSXOGSA-N 355.419 2.226 10 40 FECB CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCN(c3ccccc3)CC1)C(=O)C2=O 6719201 OFYWUUOWTYXCDH-LEWJYISDSA-N 354.450 2.300 10 40 FECB COc1ccc(N2CCC[C@]3(CN(Cc4cncn4C)CCO3)C2)cc1 96226311 XYGDUEKPIQAUSL-FQEVSTJZSA-N 356.470 2.300 10 40 FECB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409391125 HKLXZCMTQMIIHH-UKTHLTGXSA-N 357.753 2.410 10 40 FECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OC(C)C 408878350 AACSGRAFWUTGMM-UHFFFAOYSA-N 368.842 2.440 10 40 FECB Cc1cc(/N=N/c2ccccc2)c(NC[C@H](O)[C@H](O)[C@@H](O)CO)cc1C 13401957 NARUXRZZSJCXFJ-CQSSKZMZSA-N 359.426 2.206 10 40 FECB CC[C@@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(=O)O 5374712 WKPJSLLSRMWMPH-HQQGHWSLSA-N 364.448 2.111 10 40 FECB COc1ccc(N2CCN(CCNC(=O)COc3ccccc3)CC2)cc1 56997159 SOGBPRTYHJCLLP-UHFFFAOYSA-N 369.465 2.012 10 40 FECB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 1106530 KQTGYDMUIYBKPO-RIYZIHGNSA-N 368.320 2.263 10 40 FECB O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCOCC2)cc1 13674410 YXNNVYJDVQOPKC-UHFFFAOYSA-N 355.394 2.290 10 40 FECB Cc1cc(=O)oc2c(CN[C@@]3(C)CCS(=O)(=O)C3)c(O)c(Cl)cc12 20648412 QCQPPTWLBLGWSH-INIZCTEOSA-N 371.842 2.127 10 40 FECB COc1ccc(N2CCN([C@H](C)C(=O)Nc3nnc(C)s3)CC2)cc1 25790518 XDUJRFOCAXOCNU-GFCCVEGCSA-N 361.471 2.004 10 40 FECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 408854551 IECQAZPIEUAFBD-NTEUORMPSA-N 368.320 2.263 10 40 FECB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 19079710 FLSOHDALJKQKEX-UHFFFAOYSA-N 374.447 2.384 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 1276983 ZCGQKLANJUPDAH-VAENJDROSA-N 367.448 2.467 10 40 FECB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O 6477360 SLNASTJOBPXRTD-UHFFFAOYSA-N 369.240 2.062 10 40 FECB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1OC 7908489 QRHRYWMUQHWBDR-UHFFFAOYSA-N 350.440 2.248 10 40 FECB Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccccn3)S2)cc1 5931986 RFHMHPPKCYAKTD-GXDHUFHOSA-N 359.432 2.339 10 40 FECB CC[C@@H](C)N1C(=O)/C(=C\Nc2ccc(OC)cc2OC)C(=O)NC1=S 9360177 OVYZULXQLZEVAG-WJEYQPDNSA-N 363.439 2.041 10 40 FECB CN(C)c1ccc(Cn2nccc2NC(=O)CNC(=O)C(C)(C)C)cc1 98080447 XGQQPXUYFHIRGS-UHFFFAOYSA-N 357.458 2.098 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(OC)c1OC 4999333 LEOLGDYFNZRPQO-JLHYYAGUSA-N 374.393 2.117 10 40 FECB Cc1ccccc1-n1c(C)cc(C(=O)NCC2(C(N)=O)CCOCC2)c1C 79680626 IRYKKGSPWVLORT-UHFFFAOYSA-N 369.465 2.414 10 40 FECB Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1C(=O)c1cccnc1 245241102 XJMIRWYJCIHGRD-UHFFFAOYSA-N 353.298 2.166 10 40 FECB COc1ccc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)c(OC)c1 12492117 SYQWJOODSYJNNZ-ZROIWOOFSA-N 366.464 2.152 10 40 FECB COc1cc2c(cc1/C=C1\SC(N3CCOCC3)=NC1=O)O[C@@H](C)C2 8944805 GTUPEMGIFZMWRE-OKHBPPCESA-N 360.435 2.321 10 40 FECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cccc(C(=O)O)c1 97963977 MEMPNYIPHMDWFJ-IWKHNONTSA-N 365.349 2.334 10 40 FECB CC(C)c1ccc(/C=C2\SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1 5374237 VKXXWWBXFLZZEO-BFTHVDOESA-N 351.449 2.457 10 40 FECB COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 4615288 MXVXLRFHBYCTPG-XNTDXEJSSA-N 368.320 2.279 10 40 FECB COc1cc(C2=N/C(=C\c3cccc(O)c3O)C(=O)O2)cc(OC)c1OC 5648316 NYFWYNDZUZFYEX-GHXNOFRVSA-N 371.345 2.468 10 40 FECB COc1cccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1OC 12371629 WBJNKIGKWHXRGD-FLIBITNWSA-N 353.421 2.380 10 40 FECB COc1cccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)[C@@H]4O)c1O 32124507 SKJBQIFBNOCULN-HARJDGEMSA-N 366.461 2.349 10 40 FECB biogenic Cc1cc(N/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)cc1Br 408527607 DRUTYPSGPUHMOX-RMKNXTFCSA-N 352.188 2.070 10 40 FECB CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N(C)C1=O 911226 YZVCBHXKZAEJDM-UHFFFAOYSA-N 355.306 2.289 10 40 FECB COc1ccc(/C(C)=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 5372361 LSOVASKVZGFXFN-FMIVXFBMSA-N 373.477 2.174 10 40 FECB CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccc(O)c(O)c1)[C@@H]2O 32124399 HSIUVDMDRCSOHB-BJODSLRWSA-N 352.434 2.046 10 40 FECB biogenic CCN(CC)CCNC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O 5460263 OLFIMLXZAYOHQX-UHFFFAOYSA-N 366.417 2.239 10 40 FECB COc1ccc(CCNC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1OC 100621856 WKJZKNFGZORWFP-NHCUHLMSSA-N 373.449 2.327 10 40 FECB COc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(S(C)(=O)=O)cc1 12517009 YWDYUGODLXISAA-UHFFFAOYSA-N 374.462 2.490 10 40 FECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1F 408955930 VHACSLXYZUAXMY-KPKJPENVSA-N 354.293 2.221 10 40 FECB C[C@H]1CN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CCO1 24529071 GKKTZVIAJAOIMJ-HNNXBMFYSA-N 370.449 2.239 10 40 FECB CCc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1 4356787 BGFCVKUXYZMECY-ZWIPKHHJSA-N 365.432 2.378 10 40 FECB COc1ccc(NN/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 4831998 HFYFGGGSFVGHHP-WJDWOHSUSA-N 366.377 2.087 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(=O)O)cc3)C2=O)cc1 2283853 YBQQMWZDOUOHCD-XNTDXEJSSA-N 350.330 2.360 10 40 FECB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)=O 107950620 LEOSBSKGNYGGPS-RVDMUPIBSA-N 352.346 2.082 10 40 FECB O=S(=O)(c1cccc2nsnc12)N1CCN(c2ccccc2)CC1 1040165 XIZCYGNDKHCNJR-UHFFFAOYSA-N 360.464 2.202 10 40 FECB Cc1ccc(C(C)C)c(OCCNC=C2C(=O)N(C)C(=O)N(C)C2=O)c1 3165821 GIDLNFJDPQPIJM-UHFFFAOYSA-N 359.426 2.021 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)c1ccncc1 54360623 WUZQUZWADQBUNP-JYRVWZFOSA-N 373.415 2.039 10 40 FECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(C)o3)CC2)cc1 15278878 YWBCBBPYEQLPPW-UHFFFAOYSA-N 358.394 2.102 10 40 FECB COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN(C)CC2)cc1 20719950 KDCSPKYIRPCERU-HXUWFJFHSA-N 356.422 2.466 10 40 FECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Cc1cccc(F)c1 408879144 BVGSBOYQXLINOH-UHFFFAOYSA-N 370.405 2.339 10 40 FECB COc1ccc(N2CCN(Cn3c(=O)n(C)c4ccccc43)CC2)cc1 40034701 LWVNIHCTMDBGHV-UHFFFAOYSA-N 352.438 2.128 10 40 FECB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccc3c(c2)OCO3)CC1 7382610 ZWMSHOTZOTZOSI-UHFFFAOYSA-N 369.377 2.215 10 40 FECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1cccc([N+](=O)[O-])c1 5650181 PHOGVUOGBWNTDQ-GXDHUFHOSA-N 352.306 2.174 10 40 FECB C[C@H]1Cc2cc(/C=C3/SC(N4CCC(C(N)=O)CC4)=NC3=O)ccc2O1 2230892 NOKPLNUWQYKIPV-YAFRSCOQSA-N 371.462 2.178 10 40 FECB c1cc(N2CCCC2)ccc1CN1CCC(c2nnc3n2CCNC3)CC1 19711264 SUZQFNBLHUTKQD-UHFFFAOYSA-N 366.513 2.361 10 40 FECB Cc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 974992 CMEHPBNSDKSYTO-FMNNIJNLSA-N 353.490 2.383 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C2=O)cc1 4808942 KFLJCZCQHOHEJD-WQLSENKSSA-N 373.346 2.331 10 40 FECB Cc1cc(C(=O)N2CCOC[C@H]2c2ncon2)c(C)n1-c1ccccn1 95981304 KJWSNOLHVUGVKV-HNNXBMFYSA-N 353.382 2.086 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1n[nH]c2ccccc12 8153015 AHJVKANAOQFGPY-UHFFFAOYSA-N 366.421 2.444 10 40 FECB O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1N1CCOCC1 9420501 OLPXNUDEBZOPTQ-XNTDXEJSSA-N 360.460 2.454 10 40 FECB CNc1nc2c(s1)[C@H](c1cc(OC)c(O)c(O)c1OC)CC(=O)N2 66091357 NVBZOTYIUIVUSQ-ZETCQYMHSA-N 351.384 2.087 10 40 FECB COc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(F)cc2)C1=O 100729240 DXSDAJXENXYZBM-RAXLEYEMSA-N 355.325 2.413 10 40 FECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCCCNC1=O 45668814 NYCWZYPXLAHNAI-SFHVURJKSA-N 358.486 2.487 10 40 FECB O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 66323132 RNEFAAMGFOLZLT-KGLIPLIRSA-N 373.331 2.335 10 40 FECB CC[C@@H]1CN(Cc2ccccc2O)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594824 YORFOILWRJDMLY-VBSBHUPXSA-N 362.514 2.322 10 40 FECB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 408963038 LTKZWELTPBLVTK-XYOKQWHBSA-N 369.358 2.132 10 40 FECB CN(C)c1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)cc1 248142309 UPRZORSELLRNIK-YLJYHZDGSA-N 371.506 2.258 10 40 FECB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OC(C)C 5644273 OGMODHMMRIOABS-UHFFFAOYSA-N 354.815 2.050 10 40 FECB CC[C@@H](C)N1C(=O)/C(=C\Nc2ccc(NC(C)=O)cc2)C(=O)N=C1S 103220335 RWZQKSZSMNFZLL-AHEVQNHNSA-N 360.439 2.394 10 40 FECB CN(C)c1cccc(N/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 2892712 VMSGYWKBROTNAY-LFIBNONCSA-N 368.368 2.471 10 40 FECB CCOc1ccccc1N1C(=O)N=C(O)/C(=C\NN2CCCCC2)C1=O 34236346 ASNSIYFJACYENW-OUKQBFOZSA-N 358.398 2.383 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ncc2ccccc2c1=O 30523264 REQMHLDQTKYEQK-UHFFFAOYSA-N 350.422 2.121 10 40 FECB CN1C(=O)C(=Cc2cnn(Cc3ccccc3Cl)c2)C(=O)N(C)C1=O 14181843 GYVMMKCPBYCEBY-UHFFFAOYSA-N 358.785 2.019 10 40 FECB CN1C(=O)C(=CNc2ccc(C(=O)c3ccccc3)cc2)C(=O)N(C)C1=O 11667059 VBEMFPYRYHQJCA-UHFFFAOYSA-N 363.373 2.264 10 40 FECB COc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1OC 54285112 GTOHPDNFCFDJQO-UHFFFAOYSA-N 356.422 2.470 10 40 FECB CCOc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 408547034 GPIXHBGBJZWDED-GDNBJRDFSA-N 355.350 2.253 10 40 FECB COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1NS(C)(=O)=O 32088081 QFRJUSVKSPITHV-UHFFFAOYSA-N 370.452 2.176 10 40 FECB COc1ccc(N2CCC[C@]3(CN(Cc4nccn4C)CCO3)C2)cc1 96226309 INEVCOHZFFTEDT-FQEVSTJZSA-N 356.470 2.300 10 40 FECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OC(C)C 408917564 XHBVZBUKDRZPHW-BJMVGYQFSA-N 368.842 2.392 10 40 FECB CCn1c(=O)c(/C=C2\SC(N3CCOCC3)=NC2=O)cc2ccccc21 36625744 IZANRGIYCPOFCO-VBKFSLOCSA-N 369.446 2.324 10 40 FECB CN1C(=O)/C(=C\c2ccc(C(=O)NC(C)(C)C(=O)O)cc2)SC1=S 5374717 XIKSCTVCAMNQCQ-DHZHZOJOSA-N 364.448 2.111 10 40 FECB COc1ccc(-n2nnnc2CNC(=O)Nc2ccccc2OC)cc1 9571354 ZTSVDDQVWIHHNT-UHFFFAOYSA-N 354.370 2.001 10 40 FECB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCC(C)C 9060119 MWGYMCXDPLNUJO-AQTBWJFISA-N 359.426 2.481 10 40 FECB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCSCC3)c2oc1=O 95477624 PFHULJPARFAWMZ-UHFFFAOYSA-N 363.435 2.071 10 40 FECB COc1cc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc(O)c1O 85412570 ABXJXITXTNDLHF-GFCCVEGCSA-N 355.350 2.418 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cn2ccsc2n1 16134473 ULIXIEIYKKBQCN-UHFFFAOYSA-N 370.478 2.434 10 40 FECB CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCN(Cc3ccccc3)CC1)C(=O)C2=O 20589916 ODUKDQQDXYYVPC-FCHUYYIVSA-N 368.477 2.295 10 40 FECB COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(OC)c1OC 33399527 OOMSONMXRODLHX-GXDHUFHOSA-N 364.423 2.015 10 40 FECB CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccc(O)c(O)c1)[C@H]2O 35585738 HSIUVDMDRCSOHB-SAOGTBAESA-N 352.434 2.046 10 40 FECB biogenic CCOc1ccc(N2CN=c3s/c(=C\c4ccc(C)o4)c(=O)n3C2)cc1 2245653 ZTCSQQKGKWYITE-YVLHZVERSA-N 369.446 2.094 10 40 FECB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 4999335 MUIQLMHKYMTGGE-NTEUORMPSA-N 358.394 2.417 10 40 FECB COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1 13940220 BPSWKRGMOOWQSO-YBEGLDIGSA-N 353.378 2.194 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1277073 HEFUJSWHSHXYER-XFFZJAGNSA-N 352.393 2.359 10 40 FECB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1828729 KKDNBOWDHVMEJU-JBBGTMGVSA-N 353.421 2.465 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 1276991 SCNHHHJJPKGGNQ-PGEKAQRJSA-N 367.448 2.467 10 40 FECB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCOCC1 5370797 WOCNMBAZAHJTMI-GVEAZFNLSA-N 374.487 2.303 10 40 FECB Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408996841 FFSSKWHRAUZINE-YRNVUSSQSA-N 356.359 2.452 10 40 FECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 408903634 VCIAQCRPZKLBKY-MDWZMJQESA-N 371.280 2.106 10 40 FECB CCOc1cc2c(cc1/C=C1\SC(=S)N(CC(=O)O)C1=O)OCO2 409096908 HALALQRETLBNBX-QCDXTXTGSA-N 367.404 2.100 10 40 FECB CN(C)c1ccc(CN2CCC(c3noc([C@@H]4CCC(=O)N4)n3)CC2)cc1 12222356 GXLLTFILJKUTTE-KRWDZBQOSA-N 369.469 2.466 10 40 FECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 4330360 PVGCLEACRVVWFR-LJQANCHMSA-N 368.481 2.419 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 408803459 PDWISOGDYQRZBO-OQLLNIDSSA-N 367.317 2.270 10 40 FECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)N(C)C)cc1 4330371 ZCYRUONQNJEQJS-GOSISDBHSA-N 372.444 2.249 10 40 FECB COc1ccc(N2CCN([C@H]3CCCN(C4CCOCC4)C3)CC2)cc1 22851600 RDIDBPMQOGGMPI-FQEVSTJZSA-N 359.514 2.461 10 40 FECB CCN1CCN(C2=NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)CC1 13547484 FCBXAANEKVVLFP-VBKFSLOCSA-N 361.467 2.312 10 40 FECB CN(C)CCN/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N=C1O 103113574 RNJHJKPGEVNHBE-XFXZXTDPSA-N 370.331 2.164 10 40 FECB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(N)(=O)=O)cc1 22910159 TZERFUCXCBLOGZ-AMGRQBIBSA-N 357.395 2.209 10 40 FECB in-vitro COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1C(=O)O 408768334 IACUYCHJECUREB-KWZJRMENSA-N 371.389 2.236 10 40 FECB Cc1ccc(N2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)C2=O)cc1C 16312078 DVZWUMZLZBYLSE-OQLLNIDSSA-N 353.334 2.379 10 40 FECB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccccc1F 980551 FTVLITBMDRMYPM-UKTHLTGXSA-N 357.410 2.490 10 40 FECB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NC1=NCCS1 1236465 NMHCXYSQDOPRRW-FLIBITNWSA-N 363.489 2.107 10 40 FECB CN1CCN(c2ccc(CNC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 4362589 NNQMTYGLRUUODT-UHFFFAOYSA-N 367.449 2.140 10 40 FECB CCN(CC)c1ccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1 7586741 WXTKJDGFNDDLOG-BKHHGCLFSA-N 368.458 2.368 10 40 FECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1O 408962960 WKMWUYBSGYLMMP-XYOKQWHBSA-N 371.280 2.106 10 40 FECB CCOC(=O)COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 108928873 XSFHNBUAERMMEH-ATVHPVEESA-N 366.373 2.090 10 40 FECB CCOc1cc(/C=C2/SC(=S)N(NC(C)=O)C2=O)ccc1OC 3452633 JUANDEWPYARCLE-MDWZMJQESA-N 352.437 2.346 10 40 FECB CN(C)c1ccc(/C=c2\sc3nc4ccc([N+](=O)[O-])cc4n3c2=O)cc1 408721884 BAENTSYKSNLWSX-SXGWCWSVSA-N 366.402 2.431 10 40 FECB CN1C(=O)/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S 409326693 DGPKBINBIDVHOC-UKTHLTGXSA-N 365.436 2.262 10 40 FECB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)cc1 34926899 IFGMHXUEEBMOLA-LBPRGKRZSA-N 366.464 2.489 10 40 FECB Cc1cc(O)c(CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1C 48343105 MRIANKSXACUZQN-UHFFFAOYSA-N 367.493 2.443 10 40 FECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCC2)N2CCCC2)cc1 5340625 AJNXVZUYJHXZGL-IBGZPJMESA-N 372.513 2.065 10 40 FECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cccc(C(=O)O)c1 101469839 MEMPNYIPHMDWFJ-WGLILOHCSA-N 365.349 2.334 10 40 FECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1cccc(F)c1 408869263 RUUCEJZSERURQA-UHFFFAOYSA-N 354.337 2.175 10 40 FECB CC(=O)N1CCN(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)CC1 618255325 XIAIFDZBCMYAGM-PTNGSMBKSA-N 361.492 2.365 10 40 FECB CC1=NN2C(=N)/C(=C/c3coc4ccc(O)cc4c3=O)C(=O)N=C2S1 8470580 OLZVCDGMQSZCPG-NSOOENOZSA-N 354.347 2.138 10 40 FECB O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1CN1CCOCC1 2049236301 QPZMEXFUHVAODJ-UHFFFAOYSA-N 365.436 2.086 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C2/C(=O)Nc3c(C)cccc32)SC1=S 27563185 ZOBMVMWWXJULOJ-GLFQRJSBSA-N 362.432 2.080 10 40 FECB Cc1nccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 65551321 SXVHRJYCGBURQW-BETUJISGSA-N 358.417 2.468 10 40 FECB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 408942162 XWEUXNUVGLXXHF-XNTDXEJSSA-N 350.330 2.360 10 40 FECB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NC1=NCCS1 4263510 KMAHZEJQRWJDAW-CSKARUKUSA-N 367.477 2.090 10 40 FECB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccccc1O 9262223 FNOHXNUGTHKIIE-HZPDHXFCSA-N 351.362 2.463 10 40 FECB CCN(CC)CCN/C=C1\C(=O)N(C2CCCCCC2)C(=O)N=C1O 103123831 GNPWPLDRQINEAK-SQFISAMPSA-N 350.463 2.443 10 40 FECB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccccc1O 9060566 NXONJVZMSGQVPS-QGZVFWFLSA-N 373.434 2.461 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1O 408775653 QYCXCWAIJJMNBS-NTEUORMPSA-N 352.346 2.376 10 40 FECB CN(C)c1ccc(/C=c2/sc3nnc(Cc4ccccc4)n3c2=O)cc1 1625271 NTCDRAWSLHNGLG-SFQUDFHCSA-N 362.458 2.356 10 40 FECB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCN1CCOCC1 100111184 AILSOHJPCWXRQW-SAPNQHFASA-N 360.433 2.134 10 40 FECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(Cc2ccccc2F)c1 408870556 TUDDRDCRVKJLAC-UHFFFAOYSA-N 370.405 2.339 10 40 FECB COc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1OC 2333270 IBDHCVUFAXGTLT-XYOKQWHBSA-N 353.421 2.380 10 40 FECB CCc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1 32707975 BGFCVKUXYZMECY-LAPSENCUSA-N 365.432 2.378 10 40 FECB Nc1ccc(O)c2c1C(=O)c1c(O)cc(-c3ccc(O)cc3)c(N)c1C2=O 5420910 OXLITIGRBOEDEZ-UHFFFAOYSA-N 362.341 2.410 10 40 FECB in-vitro CN(C)c1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41084958 JIZMBVJUPZTAJI-JCOXHHPGSA-N 368.466 2.425 10 40 FECB COC(=O)/C=C/c1ccc(N2CCC(C3OCCO3)CC2)c([N+](=O)[O-])c1 69276463 UAMHZTDYDVKPDH-HWKANZROSA-N 362.382 2.370 10 40 FECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 5006502 MFTPOHLXOKEPSB-LFIBNONCSA-N 352.346 2.457 10 40 FECB Cc1ccccc1/C=C1\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C1=O 4356745 UPOHVOFCFFRSCF-OYUORYAFSA-N 351.405 2.124 10 40 FECB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(F)F 12946323 PPHCZSIAFURNBQ-UHFFFAOYSA-N 354.309 2.121 10 40 FECB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCN(Cc3ccccc3)CC1)C(=O)C2=O 101405685 ODUKDQQDXYYVPC-FGZHOGPDSA-N 368.477 2.295 10 40 FECB COc1ccccc1/C=C1/SC(=S)N(CN2CCOCC2)C1=O 35176689 XYKNIUKKIZXEKP-GXDHUFHOSA-N 350.465 2.186 10 40 FECB Cc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 1786957 CMEHPBNSDKSYTO-OXBCTQFSSA-N 353.490 2.383 10 40 FECB COc1cc(/C=C2\SC(=S)NC2=O)cc([N+](=O)[O-])c1OC(C)=O 12364577 KQHAMBYKDNOGSC-YHYXMXQVSA-N 354.365 2.018 10 40 FECB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCO)cc1 4736935 MHSALWCNTZRXDX-JXAWBTAJSA-N 351.406 2.302 10 40 FECB CN1CCN([C@H](CNC(=O)c2ccccc2)c2ccc(N(C)C)cc2)CC1 22589278 FFHYIVIZLWPJIZ-OAQYLSRUSA-N 366.509 2.471 10 40 FECB Cc1c(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cccc1[N+](=O)[O-] 105484128 ZXAQSIJLTDELAM-WQLSENKSSA-N 370.321 2.071 10 40 FECB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/NCc1cccnc1 6896364 ZEYZFMGKGHJMSA-DTQAZKPQSA-N 354.410 2.024 10 40 FECB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)N1CCCCC1 205876454 KCLKYKQGAULABG-NTEUORMPSA-N 362.407 2.147 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2[nH]nnc2c1 12629900 DCHWMIAOPITCJK-UHFFFAOYSA-N 351.410 2.067 10 40 FECB COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccsc3)CC2)cc1 3355180 KRIOGMANFGJXTB-UHFFFAOYSA-N 374.462 2.191 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(OC)c1C 409392630 MZPZYAHHVCVJGU-GXDHUFHOSA-N 367.361 2.074 10 40 FECB COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(NC(C)=O)C1=O)S2 3208395 WWXPNMMWQNFNST-QBFSEMIESA-N 367.477 2.318 10 40 FECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NCc3cccs3)C2=O)cc1 101653075 NQUSMMFHLOCTJP-RVDMUPIBSA-N 371.418 2.403 10 40 FECB COC(=O)c1ccccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 1407135 BTFHQCQYTCDTEI-UHFFFAOYSA-N 368.345 2.167 10 40 FECB COc1cc2c(cc1/C=C1\SC(=S)N(CC(=O)O)C1=O)O[C@@H](C)C2 13067049 OFPYJUNKNVXQIC-BYODANBRSA-N 365.432 2.304 10 40 FECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 2429156 ASKWRHYDTBEHQR-VUBLIPMDSA-N 369.395 2.345 10 40 FECB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccc2c(c1)OCO2 5931856 BVAYZCMTEPATOK-UHFFFAOYSA-N 371.422 2.498 10 40 FECB CCCCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1 7990018 BQLGISDCXVOXCA-UHFFFAOYSA-N 359.451 2.317 10 40 FECB O=C1NC(=O)C(=Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)C(=O)N1 408766959 XUMZWPPODLFSAA-UHFFFAOYSA-N 370.748 2.309 10 40 FECB Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 49740709 QUPLBUMWNQILGL-UHFFFAOYSA-N 373.522 2.366 10 40 FECB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCS(=O)(=O)O 5371840 NOFQQKCTJRWUSQ-YFHOEESVSA-N 363.869 2.429 10 40 FECB Cc1cc(/N=N/c2ccccc2)c(NC[C@H](O)[C@H](O)[C@H](O)CO)cc1C 4959817 NARUXRZZSJCXFJ-ZZGUXWCQSA-N 359.426 2.206 10 40 FECB in-vitro O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NNc1cccc(Cl)c1 19117581 HPMXMFXKLGGNMM-UVTDQMKNSA-N 356.769 2.423 10 40 FECB C[C@@H]1Cc2cc(/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)ccc2O1 27417281 NOKPLNUWQYKIPV-FFCYNSPCSA-N 371.462 2.178 10 40 FECB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O 27229485 ZYYCRNUYZNUYQY-UKTHLTGXSA-N 359.432 2.277 10 40 FECB CCOc1ccc(/C=C2/SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1 1471553 VZVGGJNTLSSCID-FOWTUZBSSA-N 359.451 2.220 10 40 FECB Cc1cc(C(=O)NCC(=O)NC(C)C)c(C)n1-c1ccc2c(c1)OCCO2 28441341 HAVABTDYKPQEEK-UHFFFAOYSA-N 371.437 2.120 10 40 FECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(OC)c1O 408892855 KEIGVLPTSWILAW-KAMYIIQDSA-N 361.394 2.110 10 40 FECB CN1CCN([C@H](CNC(=O)NC(C)(C)C)c2ccc3c(c2)CCN3C)CC1 35597250 LWTCTNQGYQHNNH-LJQANCHMSA-N 373.545 2.065 10 40 FECB CNC(=O)c1cc(Br)c2c(c1N)C(=O)c1ccccc1C2=O 4409936 JYDXTOGEMQLIKV-UHFFFAOYSA-N 359.179 2.166 10 40 FECB Cc1ccc(NC[C@@H](O)[C@H](O)[C@H](O)CO)c(/N=N/c2ccccc2)c1C 5005335 BVMBLTCSAVCYFW-JWLZUPGLSA-N 359.426 2.206 10 40 FECB COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1O 15013566 MDHSRDYBVXITEE-QPEQYQDCSA-N 372.377 2.371 10 40 FECB COc1ccc(C(=O)NC2(N3CCCC3)C(=O)c3ccccc3C2=O)cc1 226297475 MLNJLPLROCDNBB-UHFFFAOYSA-N 364.401 2.296 10 40 FECB CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1O 967012 VULAOWDMCOHWSW-XYOKQWHBSA-N 353.421 2.467 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1Cc2ccccc2O1 39995695 IROZHSFAGOJBGC-HXUWFJFHSA-N 352.434 2.485 10 40 FECB O=C1N=C(O)/C(=C/NCCN2CCCCC2)C(=O)N1c1ccccc1F 19949961 LTBLOUIFVSOLGU-SEYXRHQNSA-N 360.389 2.208 10 40 FECB CCN(/C=C1\SC(=S)N(C2CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 30819376 FIUXBXGMBFMGSQ-VWLVURMCSA-N 374.553 2.140 10 40 FECB COC(=O)Cn1sc2c3c(ccc2c1=O)C(=O)c1ccccc1C3=O 4580549 PZIUBRIVUSAERE-UHFFFAOYSA-N 353.355 2.011 10 40 FECB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc3c(c2)OCO3)CC1 2729694 YDPBUKJDGSIOPD-UHFFFAOYSA-N 355.350 2.286 10 40 FECB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/Nc1ccccc1C(=O)O 1886688 ABYCPPFHVSVRAI-SDNWHVSQSA-N 371.393 2.482 10 40 FECB O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 95446856 IOFNPUNBWZVMQP-MVMOUZJFSA-N 354.410 2.468 10 40 FECB CC1=C(C(=O)/N=N/C(=O)c2ccc3c(c2)OCO3)NN(c2ccccc2)N1 97574866 XLJPCDAKQHKOLH-FMQUCBEESA-N 365.349 2.295 10 40 FECB CCCCN1CCc2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)ccc21 5030837 BUXQMZOKFABQOH-UHFFFAOYSA-N 357.479 2.448 10 40 FECB COCCCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 4811915 VZPKYMXSVGRQHL-UHFFFAOYSA-N 368.345 2.137 10 40 FECB CCn1nc(C)c(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1C 408757762 QVBDJKZXJKAAFS-GXDHUFHOSA-N 353.382 2.099 10 40 FECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 2430318 OXDIHLMKSUYKGI-GTUWVTDSSA-N 357.434 2.267 10 40 FECB CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1O)C2=O 19320423 XGRWQISUXPKLRV-UHFFFAOYSA-N 351.244 2.380 10 40 FECB COc1ccc(N2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)cc1 6715606 ZLMRXHAVINLZGK-NONVJHHQSA-N 358.438 2.091 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1276957 AOJUWBUNWWSWIV-VQLBTBKJSA-N 353.421 2.164 10 40 FECB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCCO1 46405390 ULXKQIJVOPGCGL-HNNXBMFYSA-N 358.360 2.337 10 40 FECB Cn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 409108048 VHGABWLICWLXOK-UKTHLTGXSA-N 374.194 2.454 10 40 FECB CCN(Cc1cc(Br)ccc1O)c1ncc([N+](=O)[O-])c(N)n1 84774830 GNVIOOMEKKNANB-UHFFFAOYSA-N 368.191 2.462 10 40 FECB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C 409001158 UYXTZURBXFPBJX-UHFFFAOYSA-N 368.349 2.060 10 40 FECB COc1ccc(N2CCN(c3ccc(N)cc3C(=O)NC3CC3)CC2)cc1 225490061 FNCCNEIJHLJCNM-UHFFFAOYSA-N 366.465 2.496 10 40 FECB C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1C(=O)c2ccccc2C1=O 12543432 WREBVQGTNNZQBJ-ZDUSSCGKSA-N 351.406 2.054 10 40 FECB Cc1ccc(O)c(CN[C@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1 49421010 BWUZAKKDRVGXPV-SFHVURJKSA-N 366.465 2.356 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=S 1810169 CISNZGGJXZDIFN-RWKJSZNZSA-N 362.432 2.080 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c([nH]c1=O)CCCC2=O 28495152 XAMQIMCHFIGQDJ-UHFFFAOYSA-N 353.422 2.232 10 40 FECB COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)O)C1=O 409122804 BVLPCYQQLLRQBL-RIYZIHGNSA-N 362.407 2.416 10 40 FECB CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(NC(N)=S)C2=O)cc1 5333947 FVEKIOHWKFOALO-VBKFSLOCSA-N 365.462 2.131 10 40 FECB Cc1nc(COc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cs1 14242476 MPXDRUCWMCRBQG-UHFFFAOYSA-N 371.418 2.464 10 40 FECB COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 35128895 TWSMYJYUXHVTOL-KAECEXQPSA-N 366.373 2.088 10 40 FECB CN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1236249 JEAVWYPQIONRJP-SEYXRHQNSA-N 362.432 2.099 10 40 FECB COc1ccc2c(c1)CCCN2CC(=O)N1CC(=O)Nc2ccccc21 8779896 FFGABHQGZHYEGU-UHFFFAOYSA-N 351.406 2.433 10 40 FECB Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c([N+](=O)[O-])c1 5745041 CCBUIAQDSGOUCT-UHFFFAOYSA-N 357.347 2.078 10 40 FECB Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1[N+](=O)[O-] 5508716 ARPFSZLJUYOPRM-UHFFFAOYSA-N 352.324 2.108 10 40 FECB CN1CCCc2cc([C@@H](CNC(=O)c3ccco3)N3CCOCC3)ccc21 13008324 MJSVZSHHCSZPGI-LJQANCHMSA-N 369.465 2.465 10 40 FECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 6315135 JOXBHMRFMVPVAR-UHFFFAOYSA-N 374.462 2.409 10 40 FECB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCC#N)c1 107715971 IKGJNPDQBLAFMZ-ATVHPVEESA-N 362.389 2.116 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3O)C2=O)cc1 408962156 QLPBQQIAWAFFSK-UKTHLTGXSA-N 367.317 2.275 10 40 FECB CC(C)n1[nH]c(=O)c2c(-c3ccc(O)c(O)c3)c3sc(=O)[nH]c3nc21 85412752 ZROAHQSMTHATSQ-UHFFFAOYSA-N 358.379 2.287 10 40 FECB Oc1ccccc1CN1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 13266952 NTVUYYLINIMMOS-MAUKXSAKSA-N 352.438 2.281 10 40 FECB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(=O)[nH]c2ccccc12 54285067 LBDILWSUZMLJHL-UHFFFAOYSA-N 363.417 2.295 10 40 FECB COc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OC 12504551 IBDHCVUFAXGTLT-WQLSENKSSA-N 353.421 2.380 10 40 FECB Cc1n[nH]c(C)c1N/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408758165 WHRWFEKZXIJRSS-KPKJPENVSA-N 359.773 2.259 10 40 FECB CCc1ccc(N2C[C@@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)cc1 83823699 BGUIKMBLKARHJY-INIZCTEOSA-N 368.433 2.372 10 40 FECB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 85413042 OYSGYARHQRQTMK-YOEHRIQHSA-N 354.314 2.270 10 40 FECB COCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)C(=O)NC1=S 98086711 WOIWRYRVMBPPSX-RVDMUPIBSA-N 370.430 2.122 10 40 FECB Cc1ccc(NC[C@@H](O)[C@@H](O)[C@H](O)CO)c(/N=N/c2ccccc2)c1C 5005339 BVMBLTCSAVCYFW-BDAQDMNCSA-N 359.426 2.206 10 40 FECB CCOc1cc(Cl)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 59140107 ADICMMGRTKUZIH-UHFFFAOYSA-N 368.842 2.346 10 40 FECB CN(C)c1ccc(/C=c2/sc3nc(Cc4ccccc4)nn3c2=O)cc1 96935806 TVCULGWQYHXYJW-SFQUDFHCSA-N 362.458 2.356 10 40 FECB Cn1c(=O)cc2c3c(c(NS(C)(=O)=O)ccc31)C(=O)c1ccccc1-2 94993253 RDEGEAMEEBYZSG-UHFFFAOYSA-N 354.387 2.121 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1276923 GEDDPWJDANKOLE-XNYAHFKXSA-N 352.393 2.358 10 40 FECB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC 13343727 CWCOIGKZYRXEEV-GHXNOFRVSA-N 353.421 2.380 10 40 FECB COc1cccc([C@H](NC2=NCCC=N2)c2cc3c(cc2O)OCO3)c1O 6424699 KJVXAPMCCRGFHA-KRWDZBQOSA-N 369.377 2.345 10 40 FECB CN(C)c1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)cc1 96244845 UPRZORSELLRNIK-PXNSSMCTSA-N 371.506 2.258 10 40 FECB Cc1ccc(-c2nnn(CC(=O)NCc3ccc(N(C)C)cc3)n2)cc1 27502187 HVRCOXVPKMWGFJ-UHFFFAOYSA-N 350.426 2.031 10 40 FECB COc1ccc(N2CCN(C(=O)[C@@H](NC(C)=O)C3CCCC3)CC2)cc1 53459815 ZFORTCLYURUTGJ-IBGZPJMESA-N 359.470 2.039 10 40 FECB C[C@H]1CN(c2ccc(CNC(=O)c3ccc[nH]c3=O)cc2F)C[C@H](C)O1 57372499 NKXMTZFUXCQUQT-STQMWFEESA-N 359.401 2.058 10 40 FECB Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)nc1NCc1ccccc1 39402927 QELIGPSFLCOCEO-KKUMJFAQSA-N 356.386 2.123 10 40 FECB OCCN1CCN([C@@H](c2ccccn2)c2ccc3cccnc3c2O)CC1 22460687 PBSWDNIKKDFPMH-HXUWFJFHSA-N 364.449 2.035 10 40 FECB COc1cc(C(=O)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 1747332 BVROSQBQXJYCOZ-UHFFFAOYSA-N 362.334 2.198 10 40 FECB CCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S 409391427 JGJGDVQULMZOFW-GXDHUFHOSA-N 370.390 2.032 10 40 FECB COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 5094395 OREQBSAEMUMLFL-PSJXJDHFSA-N 361.419 2.485 10 40 FECB CCNc1nc(NCC)n2c(SCC(=O)c3ccccc3)nnc2n1 637242 DIGBYXKBEZMPPR-UHFFFAOYSA-N 357.443 2.358 10 40 FECB COc1ccc(N2CCN(CC(=O)c3ccc(O)c(C)c3O)CC2)cc1 22625859 UXZWAKVNNYTCPT-UHFFFAOYSA-N 356.422 2.420 10 40 FECB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C 3333710 WXMPIVNLGXSGPR-UHFFFAOYSA-N 371.437 2.389 10 40 FECB COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(Cl)cn3)CC2)cc1 9340494 CRTVKULHIZGJAL-UHFFFAOYSA-N 374.828 2.031 10 40 FECB Cc1cc(N2C(=O)NC(=O)/C(=C/NC(C)C)C2=O)ccc1Br 6500908 WGSLVLOMYTUXLA-XFFZJAGNSA-N 366.215 2.222 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(O)c1 408891630 UDXZGDILJNEQSZ-OQLLNIDSSA-N 352.346 2.376 10 40 FECB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 12360108 YUXSYRCMLUKCOA-UHFFFAOYSA-N 370.415 2.221 10 40 FECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(F)cc1 13425329 WFJYQSWAJYUBHJ-NTUHNPAUSA-N 354.293 2.221 10 40 FECB COc1cccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c1OC 2252795 LULKDCUHINDVKH-XNYAHFKXSA-N 353.421 2.378 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3C(=O)O)C2=O)cc1 19832349 BGURZFCNUXRMND-UVTDQMKNSA-N 365.345 2.272 10 40 FECB CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 12554187 NPVYNYBBPXMQBH-UHFFFAOYSA-N 373.478 2.123 10 40 FECB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3O)cc2)C1 48368393 LZZKDBMBZOOWJL-HNNXBMFYSA-N 353.422 2.024 10 40 FECB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCN1CCOCC1 103918222 NIGFTGICETYGKT-MNDPQUGUSA-N 356.470 2.385 10 40 FECB CCN1CCc2cc(CN3CCO[C@H](C(=O)N4CCCCC4)C3)ccc21 72344555 VATOMZRCCLFQKI-FQEVSTJZSA-N 357.498 2.282 10 40 FECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Br)o1 2211925 ZGMBYGVZIKUKEF-UXBLZVDNSA-N 365.139 2.297 10 40 FECB CCN1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c2ccccc21 1281985 YOUAUWODSIYXAY-RWKJSZNZSA-N 362.432 2.098 10 40 FECB COCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C 2159231 FATGUIBKMGYPLG-ZROIWOOFSA-N 359.378 2.124 10 40 FECB CC[C@@H]1C[C@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O 4946116 VPAITWKEDLFJMU-GHTXELIDSA-N 370.357 2.076 10 40 FECB biogenic C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2O)C3)C1 19496605 XAFRBQGPAXGPDU-AWEZNQCLSA-N 354.454 2.270 10 40 FECB CN1C(=O)C(=Cc2c(-c3ccccc3)nc3ccccn23)C(=O)N(C)C1=O 17475983 CZVBCEIYNKOCPI-UHFFFAOYSA-N 360.373 2.435 10 40 FECB CCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c2ccccc21 1281983 YOUAUWODSIYXAY-WYNUBKAASA-N 362.432 2.098 10 40 FECB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 15334405 KSZGGCMLERDTCC-UHFFFAOYSA-N 362.451 2.360 10 40 FECB COc1ccc(N2CCCCC2)cc1NC(=O)c1nccnc1C(=O)O 72401030 QHBGHGRFZAMCSU-UHFFFAOYSA-N 356.382 2.426 10 40 FECB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc(Cl)c1O 32907226 CZUKNEADEAXSCE-OAHLLOKOSA-N 366.204 2.433 10 40 FECB CC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 2453420 QWUWSYNTOKTEPV-GZTJUZNOSA-N 363.373 2.464 10 40 FECB CCOc1ccccc1NC(=O)NCc1nnnn1-c1ccc(OC)cc1 9571384 WCCRBDYVHYOPQE-UHFFFAOYSA-N 368.397 2.391 10 40 FECB COC(=O)c1sccc1S(=O)(=O)NCc1ccc(N(C)C)cc1 23402360 DZNWIYJBZDXDAK-UHFFFAOYSA-N 354.453 2.079 10 40 FECB CCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 408803942 VCEFOJDEGIIWSZ-UHFFFAOYSA-N 352.774 2.277 10 40 FECB Cc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)o1 35648547 VZFAYPHWWGJKCN-WPVMNKCKSA-N 355.393 2.107 10 40 FECB CCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 6076264 PWAYDJQOOVYRKO-MDWZMJQESA-N 367.448 2.468 10 40 FECB COc1ccc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 57327152 VAANFLWDPSZCGU-UHFFFAOYSA-N 351.450 2.407 10 40 FECB CCc1ccc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1 41084481 NPUPGYLADHOMSV-JCOXHHPGSA-N 369.450 2.158 10 40 FECB CCN1OC2(CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CC1=O 1549167069 LEBJFGWVEIXIFP-UHFFFAOYSA-N 359.470 2.042 10 40 FECB Cc1cc(/N=N/c2ccccc2)c(NC[C@H](O)[C@@H](O)[C@H](O)CO)cc1C 4959819 NARUXRZZSJCXFJ-NWWWNJFWSA-N 359.426 2.206 10 40 FECB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NCC(F)(F)F)sc2n1 21924095 AYZPVYHWFBSQGJ-UHFFFAOYSA-N 361.345 2.331 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)O)cc3)C2=O)cc1 5137458 UCKXXZJOGIWWKX-GDNBJRDFSA-N 365.345 2.272 10 40 FECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1F 4662631 HSQWROUJNLWWMS-UHFFFAOYSA-N 370.336 2.163 10 40 FECB O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](CO)c1ccccc1 79969331 VMVPSNTXBRDNCM-GOSISDBHSA-N 373.428 2.195 10 40 FECB COc1ccc(N2CCN(c3nc(C)nc4c(C)nn(C)c34)CC2)cc1 32650425 PMIIRRDINISRBL-UHFFFAOYSA-N 352.442 2.315 10 40 FECB COc1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1O 15276549 MWEPPZIHWHJHRZ-GXDHUFHOSA-N 352.346 2.409 10 40 FECB COC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C 52012297 NOMMLLCMRMLRIO-UHFFFAOYSA-N 358.394 2.484 10 40 FECB Cc1nn(-c2ccccc2)c(O)c1/C=C1/C(=O)NN(c2ccccc2)C1=O 59475185 TZHJJOLHWDBFGX-ATVHPVEESA-N 360.373 2.348 10 40 FECB COc1ccc(CN2CCc3c(O)nc(N4CCCCC4)nc3C2)c(O)c1 72347212 PKJNPYKGUXVQAA-UHFFFAOYSA-N 370.453 2.445 10 40 FECB COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 5094393 OREQBSAEMUMLFL-DTVLGXAZSA-N 361.419 2.485 10 40 FECB Cc1c(CC(=O)NC2Cc3ccccc3C2)c(=O)oc2c(O)c(O)ccc12 9547611 BNVPDWGNFNKHER-UHFFFAOYSA-N 365.385 2.339 10 40 FECB CC(C)c1ccc(N2C(=O)/C(=C\NCCCN(C)C)C(=O)N=C2S)cc1 102506469 LYDOPEFXHMLADD-VBKFSLOCSA-N 374.510 2.394 10 40 FECB C[C@H]1C[C@@]2(C[C@@](C)(C3=NC(Nc4ccccc4)=S=C3)OC2=O)C(=O)O1 102631632 REKKQBUWJUBXAW-FJNPEDAXSA-N 358.419 2.203 10 40 FECB CC[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)N(C)C(=O)N(C)C1=O 6224779 RJFVNTYRWCDIDJ-CYBMUJFWSA-N 354.410 2.013 10 40 FECB COc1ccc(N2C[C@H](C(=O)NCc3ccc(N(C)C)cc3)CC2=O)cc1 30523559 NGZWIOMCNDZTQY-MRXNPFEDSA-N 367.449 2.431 10 40 FECB COc1cc([N+](=O)[O-])cc([C@H]2NC(=N)Nc3nc4ccccc4n32)c1O 575442905 WUEZQDRAEKPWOS-AWEZNQCLSA-N 354.326 2.155 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OC)c1 408802720 GNDQIWIFMAEWMK-OQLLNIDSSA-N 368.345 2.076 10 40 FECB COc1ccc(N2CCN(c3c4c(nc5ncnn35)CCCC4)CC2)cc1 15786718 XGMZDRNZKFRKSB-UHFFFAOYSA-N 364.453 2.338 10 40 FECB CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2ccccc2O)C1 19573256 QIRCXVARUCWWIY-LBPRGKRZSA-N 353.469 2.027 10 40 FECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(O)c([N+](=O)[O-])c1 33775911 BPUXMUMVKUCJGA-WDZFZDKYSA-N 359.725 2.415 10 40 FECB O=C1NC(=S)S/C1=C/c1cc(I)ccc1O 1505082 NFRBZAVYFPQDSN-XBXARRHUSA-N 363.201 2.486 10 40 FECB COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(CC(=O)O)C1=O)S2 15218066 AAFHYKMODCVAMV-QBFSEMIESA-N 368.461 2.351 10 40 FECB COc1ccc2c(c1)CCCN2CC(=O)NC[C@H]1COc2ccccc2O1 19664379 QYGGRZGLHURCDB-KRWDZBQOSA-N 368.433 2.404 10 40 FECB CN(C)c1ccc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 10823962 VGVOSMCEUABDQW-UHFFFAOYSA-N 352.438 2.113 10 40 FECB COc1cccc(N/C=C2/C(=O)N(c3ccc4nnc(C)n4n3)N=C2C)c1 49544410 NMEWGCARKSELEC-XNTDXEJSSA-N 363.381 2.160 10 40 FECB CC/C(C)=C1/C(=O)NN(c2ccc(I)cc2)C1=O 13562091 ITQYGYQVGRSENS-FLIBITNWSA-N 356.163 2.396 10 40 FECB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCc1ccc(F)cc1 20565947 WACNMOQWOLGLMF-MHWRWJLKSA-N 371.343 2.217 10 40 FECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 2210368 AVVSOOIRSXQVCX-QBQSQJOESA-N 369.395 2.345 10 40 FECB O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1cccc2ccccc12 8569706 BHJLGXNSQRAQAF-JXAWBTAJSA-N 367.474 2.420 10 40 FECB Cc1ccc2c(c1)C(=O)N(CCC(=O)N(C)Cc1ccccc1O)C2=O 42117440 UMZASOALHVNAIB-UHFFFAOYSA-N 352.390 2.345 10 40 FECB Cc1cc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(O)c(O)c2)CC(=O)N3)no1 61720133 VKXZLQMABUISEU-SNVBAGLBSA-N 369.333 2.357 10 40 FECB COCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)NC1=S 2145961 VZAYUOPRIGFVJG-UVTDQMKNSA-N 372.402 2.349 10 40 FECB CN(C)c1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 12632316 WMFAETHWZLPARF-UHFFFAOYSA-N 362.433 2.339 10 40 FECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 28497665 VTVIGJKKEDTSSM-UHFFFAOYSA-N 357.414 2.440 10 40 FECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 2430314 OXDIHLMKSUYKGI-CYXIBPNKSA-N 357.434 2.267 10 40 FECB CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc2c(c1)OCO2 89337238 IKURGQMGKPOSMH-UHFFFAOYSA-N 367.405 2.382 10 40 FECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3)C2=O)cc1 6579935 JOBNOTDCVBAWGK-PTNGSMBKSA-N 350.330 2.140 10 40 FECB COc1cc(/C=C2\SC(N3CCCC3)=NC2=O)ccc1OCC(=O)O 8569670 HTQCEXTXKGCJQG-ZROIWOOFSA-N 362.407 2.225 10 40 FECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OC(C)C 408805129 IOPDXFHLTFXCGK-UHFFFAOYSA-N 352.774 2.275 10 40 FECB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 820697 SLIPKNBXCYYNJH-NTUHNPAUSA-N 359.725 2.415 10 40 FECB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 16160775 ZFEANDFLEKWTMZ-ATVHPVEESA-N 370.434 2.313 10 40 FECB COc1ccc(N2CCN(Cn3nnc(-c4ccc(F)cc4)n3)CC2)cc1 57318498 WZKZTXYOXAWRNQ-UHFFFAOYSA-N 368.416 2.268 10 40 FECB CCN(CC)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc1 28466717 NJFBNNOIDTWVCK-YCPHGPKFSA-N 373.375 2.343 10 40 FECB CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O 83865583 OYBFKKIXMJPTGP-MRXNPFEDSA-N 354.406 2.361 10 40 FECB CCOc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)cc1 9013540 MGXKADPLBRJOOQ-NTCAYCPXSA-N 358.398 2.383 10 40 FECB Cc1ccc(NC[C@H](O)[C@@H](O)[C@H](O)CO)c(/N=N/c2ccccc2)c1C 5005337 BVMBLTCSAVCYFW-XUZYILTFSA-N 359.426 2.206 10 40 FECB C[C@H]1CN(Cc2cc(O)c(CN3C[C@H](C)O[C@H](C)C3)cc2O)C[C@H](C)O1 17823378 YSJBHHZYQNLUMA-YHUYYLMFSA-N 364.486 2.316 10 40 FECB COc1ccc(N2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC2)cc1 5423193 QKVAWLUVSLSISH-IBGZPJMESA-N 365.433 2.219 10 40 FECB O=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)C(=O)N1 113834074 SPZCICGKXUBCTI-UHFFFAOYSA-N 361.697 2.258 10 40 FECB CN(C)C[C@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc2O1 662751991 NPRANQSODNGFHO-INIZCTEOSA-N 351.450 2.302 10 40 FECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1Cl 101468577 WXRBJIMGZAPWLO-OYGDSYQHSA-N 353.831 2.041 10 40 FECB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccccc1O 9262220 FNOHXNUGTHKIIE-HOTGVXAUSA-N 351.362 2.463 10 40 FECB COc1ccc(N2CCN(C(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)CC2)cc1 100260322 HAWNZINVYJBXJB-SFTDATJTSA-N 372.465 2.466 10 40 FECB CCN(CC)CCNC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O 1893206 BKZJRRALFOEWDA-UHFFFAOYSA-N 354.406 2.435 10 40 FECB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccccc2O)CC3)C[C@@H](C)O1 19497607 VAFDDAVXLLOQIF-ZIAGYGMSSA-N 370.453 2.060 10 40 FECB O=S(=O)(N[C@@H]1NCCS1)c1ccc(/N=N\c2cccnc2O)cc1 104123752 JSGSCLWVIWTLGZ-DNZUHHBVSA-N 365.440 2.101 10 40 FECB COc1ccc(C(C)=O)cc1CC(=O)NCc1cc([N+](=O)[O-])ccc1O 23141126 ZMPZGRREVSVTTR-UHFFFAOYSA-N 358.350 2.371 10 40 FECB CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2C)C(=O)N(CC)C1=S 408549273 RUYRLYOPYBGAKG-UHFFFAOYSA-N 362.451 2.391 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccccc1O 5484770 GLWZDLVESBQTSJ-LCYFTJDESA-N 357.416 2.333 10 40 FECB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/NCc1ccccc1 98086612 VIOSOYUANNSSKW-ACCUITESSA-N 355.394 2.247 10 40 FECB O=C(c1cc(CC2(NCc3ccccc3O)COC2)no1)N1CCCCC1 67898514 FZGGYLXPAQSWBQ-UHFFFAOYSA-N 371.437 2.108 10 40 FECB biogenic,in-vitro N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(c3cccnc3)=NN12 41084269 FJYZRJMLSBMRCV-IQANBRSTSA-N 365.374 2.160 10 40 FECB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC 13749884 FMZCKMVNZDGWKM-GHXNOFRVSA-N 353.421 2.380 10 40 FECB O=S(=O)(N[C@@H]1NCCS1)c1ccc(/N=N\c2ncccc2O)cc1 104123721 UGHJODNJJJDKDI-DNZUHHBVSA-N 365.440 2.101 10 40 FECB COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O 408913462 UWWLRSYVSFDFSF-JYRVWZFOSA-N 356.309 2.206 10 40 FECB CCOC(=O)c1cnn2c(O)cc(CN3CCc4ccccc4C3)nc12 47274476 ZWRXKPRJCRCUHR-UHFFFAOYSA-N 352.394 2.170 10 40 FECB CCc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1 32707972 BGFCVKUXYZMECY-WBOGTDJTSA-N 365.432 2.378 10 40 FECB COc1ccccc1N1C(=O)/C(=C\c2ccc(O)cc2)C(=O)NC1=S 9323206 YQXJZPQHAGSIDR-RAXLEYEMSA-N 354.387 2.232 10 40 FECB COc1ccccc1CC(=O)c1ccc(O)c(CN2CCN(C)CC2)c1O 22854467 NSNRVLSKUZSEFK-UHFFFAOYSA-N 370.449 2.279 10 40 FECB biogenic CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)OC 409349621 VPOWJRKKNILPIC-JYRVWZFOSA-N 367.448 2.468 10 40 FECB Cc1cnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 48365464 LJIMLJVDXXKAID-ZIAGYGMSSA-N 358.417 2.468 10 40 FECB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2ccc(F)cc2)c1 5750014 KUNPNMGRMWQUMU-UHFFFAOYSA-N 356.378 2.319 10 40 FECB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 32707988 IZCZHZNSDOWIGX-UMYFRRCYSA-N 371.823 2.469 10 40 FECB O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc3c(c2)OCO3)CC1 59415455 ITLHZTSSFJGQAT-UHFFFAOYSA-N 354.362 2.106 10 40 FECB CCNc1nc2c(s1)[C@@H](c1cc(OC)c(O)c(O)c1OC)CC(=O)N2 35324901 QOVVWDNNFVNGQW-MRVPVSSYSA-N 365.411 2.477 10 40 FECB O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)ccc1O 3884917 NVJQJPNTFUDJBM-UHFFFAOYSA-N 371.754 2.243 10 40 FECB COc1ccc(O)c(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1 19551627 PCNBGKNYFNVCJO-UHFFFAOYSA-N 364.405 2.104 10 40 FECB COc1ccc(-n2nnnc2CNC(=O)c2c(F)cccc2Cl)cc1 9570367 XUWGPIVAPDBDQG-UHFFFAOYSA-N 361.764 2.393 10 40 FECB CCN(CC)CCCN/C=C1\C(=O)N(c2cccc(OC)c2)C(=O)N=C1O 103100673 YZTCZHRNBHSSNR-SSZFMOIBSA-N 374.441 2.324 10 40 FECB Cc1ccc(N2C(=O)/C(=C/NCc3ccco3)C(=O)NC2=S)cc1C 5691063 SPJYLRRTYFEXLX-XNTDXEJSSA-N 355.419 2.318 10 40 FECB CC(C)c1ccc(N2C(=O)/C(=C/NN3CCOCC3)C(O)=NC2=S)cc1 34236557 JFPVLHALVRMATN-RVDMUPIBSA-N 374.466 2.119 10 40 FECB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(N2CCSCC2)cc1 54037594 WFCRXAVXLHQHJG-YOEHRIQHSA-N 361.511 2.018 10 40 FECB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 408958092 VBQDPFKNWRISMN-GXDHUFHOSA-N 367.317 2.270 10 40 FECB O=C1c2c(cccc2S(=O)(=O)O)C(=O)c2c([N+](=O)[O-])ccc(Cl)c21 4783231 CZZFIABCNJUYFY-UHFFFAOYSA-N 367.722 2.270 10 40 FECB Oc1cc2c(cc1CN1CCN(Cc3ccc4c(c3)CCO4)CC1)OCO2 22777270 YJLQGYIKWTYTLE-UHFFFAOYSA-N 368.433 2.374 10 40 FECB NC(=O)[C@H](CNCc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1 95452876 FQIUILXCQBGHLP-SFHVURJKSA-N 371.456 2.096 10 40 FECB O=C(O)COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33914321 DWLZIMIODFKGTI-ZROIWOOFSA-N 372.764 2.265 10 40 FECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)ccc1OC 409390762 GVTWYJHMPVSKMU-GXDHUFHOSA-N 367.361 2.155 10 40 FECB CC(=O)Oc1cc2c(cc1OC(C)=O)C(=O)c1cc3c(cc1C2=O)OCO3 5712245 IUCWKGKYFOEKHH-UHFFFAOYSA-N 368.297 2.041 10 40 FECB O=C(O)[C@@H](CO)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5374342 TZBZYQCXKZBVEK-BABIGQSTSA-N 361.803 2.126 10 40 FECB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OC)c1OC 4999326 GKOADWVCOZLKFN-MDWZMJQESA-N 374.393 2.117 10 40 FECB COc1ccc(N2CCN(C[C@H](O)COc3ccccc3F)CC2)cc1 25436882 LZVKBZLWNIQWMQ-KRWDZBQOSA-N 360.429 2.396 10 40 FECB CCOC(=O)N1CCN(/C=C2\SC(=S)N(CC(C)C)C2=O)CC1 32046712 RGCZUHXPEBVAFP-BENRWUELSA-N 357.501 2.118 10 40 FECB COC(=O)[C@H](C)Oc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33684293 ZOMAUIZRUQOOMS-WIOAZZGGSA-N 366.373 2.088 10 40 FECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2)N(C)C)cc1 4330382 AVYUQRBPJCFBHT-GOSISDBHSA-N 354.454 2.110 10 40 FECB COc1ccc(OC)c(/C=C2\SC(=S)N(N3CCOCC3)C2=O)c1 13477954 CSTCFICNXPPMQI-UVTDQMKNSA-N 366.464 2.152 10 40 FECB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C(=O)O)cc2)C1=O 408533940 UBWWZEWZBMOTQR-GXDHUFHOSA-N 365.345 2.272 10 40 FECB CCN1C(=O)C(=CN[C@H](C)CCc2ccccc2)C(=O)N(CC)C1=S 8484625 ZYBRRYSREQMYHE-CQSZACIVSA-N 359.495 2.477 10 40 FECB CN1CCC(c2ccc(N/C=C3\C(=O)N=C(S)N(C)C3=O)cc2)CC1 1270446 TWGZNGGVEPSNPT-RVDMUPIBSA-N 358.467 2.076 10 40 FECB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(O)c1 85413036 OYSGYARHQRQTMK-RHSMWYFYSA-N 354.314 2.270 10 40 FECB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)ccc1O 4714019 CMIJSIDLACUZOL-LLVKDONJSA-N 357.229 2.121 10 40 FECB C[C@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1 58298806 KMLJZPTUICSXAE-SOUVJXGZSA-N 365.449 2.370 10 40 FECB CN(C)CCCNC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S 13681971 LKWGZGJKILMCTJ-XFXZXTDPSA-N 369.537 2.017 10 40 FECB COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)c(C)c1 208499121 SQNLFRWLXREZIP-DHDCSXOGSA-N 353.378 2.369 10 40 FECB O=C1N=C(O)/C(=C/NCCN2CCCCC2)C(=O)N1Cc1ccccc1 102503748 YMNWTSXHUSOISS-SSZFMOIBSA-N 356.426 2.065 10 40 FECB CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 409404031 BMKMZRZWGQYXLO-ATVHPVEESA-N 366.373 2.090 10 40 FECB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c([N+](=O)[O-])cc1OC 58866112 KXAPRDBMJQHXQN-UHFFFAOYSA-N 363.322 2.366 10 40 FECB CCN(CC)CCCN/C=C1/C(=O)N=C(S)N(c2ccccc2)C1=O 103108674 LHIVWGUFTCYCFD-SQFISAMPSA-N 360.483 2.051 10 40 FECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O 35351341 CINMVDORWPSALT-GHXNOFRVSA-N 359.725 2.415 10 40 FECB Oc1c(I)ccc(I)c1O 90698120 RHKXHMBCNZLCDJ-UHFFFAOYSA-N 361.904 2.307 10 40 FECB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408881419 JHOIRNDVLMGFIA-LFIBNONCSA-N 352.346 2.457 10 40 FECB COc1ccc(N2CCN(C(=N)Nc3ncccc3[N+](=O)[O-])CC2)cc1 225245929 LXIRMZXRXPACSU-UHFFFAOYSA-N 356.386 2.167 10 40 FECB O=C(O)/C=C/c1ccc2c(c1)O[C@H](C(=O)O)[C@H](c1ccc(O)c(O)c1)O2 72319973 XOLNJKHCNSNACU-TWKUEOEHSA-N 358.302 2.161 10 40 FECB biogenic,in-vitro CCOc1ccc(NC(=O)NCc2nnnn2-c2ccc(OC)cc2)cc1 9571360 FGYSCMWXPNXOSH-UHFFFAOYSA-N 368.397 2.391 10 40 FECB C[C@@H]1Cc2cc(/C=C3/SC(N4CCC(C(N)=O)CC4)=NC3=O)ccc2O1 2230896 NOKPLNUWQYKIPV-HPUUJOOBSA-N 371.462 2.178 10 40 FECB C[C@H]1CN(Cc2cc(O)c(CN3C[C@@H](C)O[C@H](C)C3)cc2O)C[C@H](C)O1 15224390 YSJBHHZYQNLUMA-RUPPMWDTSA-N 364.486 2.316 10 40 FECB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCc2nc(N)nc(N)n2)c1 9338925 SKHYZFWRWRCDHH-UHFFFAOYSA-N 372.816 2.454 10 40 FECB CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)SC1=S 2121696 DUAWSFPBSIPYGT-GHXNOFRVSA-N 353.421 2.380 10 40 FECB CN(C)c1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 15832756 QSSNHXYJWULQBI-UHFFFAOYSA-N 357.366 2.362 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 12371407 MPIRKVPBTCZRSX-UKTHLTGXSA-N 367.317 2.270 10 40 FECB CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)OC)SC1=S 408535089 UNTGNRXXQKFNKM-WQLSENKSSA-N 367.448 2.468 10 40 FECB CC1(C)[C@@]2(C(=O)N3CCN(c4ccccc4)CC3)CC[C@@]1(C)C(=O)C2=O 101416624 OFYWUUOWTYXCDH-SFTDATJTSA-N 354.450 2.300 10 40 FECB CCn1c(=O)n(CC(=O)NCc2ccc(N(C)C)cc2)c2ccccc21 14094890 ULKHBPQHSAUNRZ-UHFFFAOYSA-N 352.438 2.205 10 40 FECB CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NC1=S 4724080 SIPPFJUORWOVHG-FLIBITNWSA-N 357.347 2.111 10 40 FECB C[C@H]1CN(c2ccc(CNC(=O)N3CCO[C@H](C)C3)cc2F)C[C@@H](C)O1 58298803 KMLJZPTUICSXAE-KFWWJZLASA-N 365.449 2.370 10 40 FECB CCOc1ccc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 96193691 CXPLBXMBSVLQIC-UHFFFAOYSA-N 367.199 2.282 10 40 FECB CCOC(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c2ccccc21 59182164 HHDFKPLZOIUALH-MDWZMJQESA-N 371.418 2.301 10 40 FECB CCN(CC)CCN/C=C1/C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O 2355683 SGCMLXOFEUBYSM-LGMDPLHJSA-N 372.469 2.208 10 40 FECB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCc1ccccc1O)C2=O 84207955 NIWSBCPMDVUONT-UHFFFAOYSA-N 352.390 2.393 10 40 FECB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O 32109770 SLIPKNBXCYYNJH-QPEQYQDCSA-N 359.725 2.415 10 40 FECB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C)C3=O)o2)cc1 5673131 IGOXZLDVGGRDMZ-GXDHUFHOSA-N 368.345 2.215 10 40 FECB C[C@H](CN1CCOCC1)NC(=O)CSc1ncc(-c2ccccc2)n1C 58365099 VAMTXUKQHKWXLJ-OAHLLOKOSA-N 374.510 2.016 10 40 FECB COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc(OC)c1 4745231 QGBJJKBWSCJJKL-VNUQYUTRSA-N 353.421 2.378 10 40 FECB CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 59109624 AJPBXLIUZDYFBU-UKTHLTGXSA-N 355.306 2.337 10 40 FECB Cc1c(CC(=O)NCCc2ccccc2)c(=O)oc2c(O)c(O)ccc12 4089582 MPZMTYRIBGIUDS-UHFFFAOYSA-N 353.374 2.414 10 40 FECB biogenic O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 408852500 GOHBDGNRERGTGK-KPKJPENVSA-N 371.280 2.106 10 40 FECB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc2c(c1)OCO2 4474041 KQEZEUFRLZPYAE-XFFZJAGNSA-N 370.361 2.386 10 40 FECB Cc1cc(/N=N/c2ccccc2)c(NC[C@@H](O)[C@H](O)[C@H](O)CO)cc1C 100589624 NARUXRZZSJCXFJ-XRRWRBOQSA-N 359.426 2.206 10 40 FECB COc1cc(CN/C=C2/C(=O)N(C(C)(C)C)C(=O)N=C2O)cc(OC)c1 102545141 DZHAFHVUAXNQSU-GXDHUFHOSA-N 361.398 2.395 10 40 FECB CCCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1809451 HVZLFFZETBENGX-SEYXRHQNSA-N 362.432 2.163 10 40 FECB COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O 408549130 PMFPNULSSASWMR-LFIBNONCSA-N 357.410 2.051 10 40 FECB Cc1c(C(=O)c2ccccc2)[n+]([O-])c2cc(F)c(N3CCCC3)cc2[n+]1[O-] 4625811 CGBDJLFJTACSIO-UHFFFAOYSA-N 367.380 2.385 10 40 FECB CC(=O)[C@H](/N=N\c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C 104124483 XJQZLLRNUMTZNK-JHBCHSCWSA-N 374.422 2.322 10 40 FECB CCOc1ccc(/C=C2\SC(=S)N(N3C(=O)[C@@H]4C[C@H]4C3=O)C2=O)cc1 100939345 IHVWRDOPZQJCKF-YZDJHDEESA-N 374.443 2.206 10 40 FECB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\NC[C@@H]1CCCO1 103123506 YAUIFUICTGCVFB-UZFBZYOGSA-N 363.483 2.184 10 40 FECB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CCS(=O)(=O)O 5371868 HBBAZPWIFGGFHZ-YFHOEESVSA-N 363.869 2.429 10 40 FECB CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108127275 YDPOMJSVWUVXSX-PTNGSMBKSA-N 353.334 2.455 10 40 FECB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccncc2)SC1=S 1819360 VWFQQYPZLQVCJJ-UBYNWHESSA-N 354.478 2.489 10 40 FECB CN1CCCc2cc(CNC(=O)NCCCn3ccccc3=O)ccc21 57661866 HNEUNJZBMXGOCL-UHFFFAOYSA-N 354.454 2.120 10 40 FECB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(O)c1 408898534 MDTAVGWBGZSEDH-WQLSENKSSA-N 356.309 2.206 10 40 FECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 2210366 AVVSOOIRSXQVCX-VUBLIPMDSA-N 369.395 2.345 10 40 FECB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 5508717 DCCVSHGBCMQCFL-UHFFFAOYSA-N 352.324 2.108 10 40 FECB O=C(O)CN1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=S 9234608 KJRDZNXQXQNIKF-WTKPLQERSA-N 374.237 2.441 10 40 FECB CCOC(=O)c1cnc2c(/N=N/c3cccc(OC)c3)c(=O)[nH]n2c1N 4666061 SBEHXTUEGGFPJQ-FMQUCBEESA-N 356.342 2.206 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 9117885 SIEDFRSUIXUUSH-AWEZNQCLSA-N 373.428 2.394 10 40 FECB CCN1CCc2cc(CN3CCO[C@H](C(=O)NC4CCCC4)C3)ccc21 72392168 MEKPDPRBLKRAFY-FQEVSTJZSA-N 357.498 2.329 10 40 FECB CN(C)CCCNC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 28296834 AVFONNRAZMCGQD-SDNWHVSQSA-N 363.508 2.199 10 40 FECB COC(=O)c1cc(Br)c(=O)n(CCc2ccc(O)c(O)c2)c1 2087653 XNAJTCGUVHOPKA-UHFFFAOYSA-N 368.183 2.051 10 40 FECB biogenic CC(C)N1C(=O)/C(=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc21 5462661 PDJWXYVOHWXAJJ-SEYXRHQNSA-N 362.432 2.098 10 40 FECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 2174027 BXYLTZUZKYRKJU-CCAPLTMGSA-N 371.389 2.236 10 40 FECB O=C(O)C1=C[C@@H](c2ccc(O)c(O)c2)n2nc(-c3ccccc3)nc2N1 102335835 APFBELAGPAJBIO-ZDUSSCGKSA-N 350.334 2.340 10 40 FECB NC(=O)NC(=O)CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 57621285 CWIYCRUHVUHTMB-QPJJXVBHSA-N 367.405 2.173 10 40 FECB COc1cc(/C=C2\CC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(O)c1O 62001841 BWMXNPHWGKCZDZ-NYYWCZLTSA-N 369.329 2.182 10 40 FECB biogenic CN(C)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1[N+](=O)[O-] 4455757 VSWMOBZAUDOHAD-YBEGLDIGSA-N 366.402 2.431 10 40 FECB CC(=O)c1cccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 408547077 RNTYGXFRBZCBFX-DHDCSXOGSA-N 353.334 2.057 10 40 FECB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(Cl)cc1O 36613122 SKISLHIYTWCCCJ-XCVCLJGOSA-N 359.812 2.340 10 40 FECB CCN(/C=C1/SC(=S)N(C2CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 101480472 FIUXBXGMBFMGSQ-AUWXEVLLSA-N 374.553 2.140 10 40 FECB O=C1CN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCN1 42078353 QASHKRODPJHFLA-MOPGFXCFSA-N 367.424 2.182 10 40 FECB COc1cccc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1O 12142876 JDXFUBHANRYWOB-UHFFFAOYSA-N 364.405 2.104 10 40 FECB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccccc1F 19877905 FTVLITBMDRMYPM-LCYFTJDESA-N 357.410 2.490 10 40 FECB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc2c(c1)OCCO2 4703783 KQTGYDMUIYBKPO-ZSOIEALJSA-N 368.320 2.263 10 40 FECB COc1cc(OC)c(OC)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409398512 BSEDAKSQIFSHJA-ZROIWOOFSA-N 354.362 2.174 10 40 FECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\NC12CC3CC(CC(C3)C1)C2 408547095 VCRMDTLKMUNXNV-YBEGLDIGSA-N 369.421 2.300 10 40 FECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1 828140 HYRNRWOSAHKPQI-UHFFFAOYSA-N 368.414 2.189 10 40 FECB COC(CNC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O)OC 2295969 HGMKBBRZPVVVKX-UHFFFAOYSA-N 352.346 2.388 10 40 FECB Cc1cc(Br)c(N2C(=O)N=C(O)/C(=C/NO)C2=O)cc1C 16267912 BUOFBRYMBBIBHL-YVMONPNESA-N 354.160 2.352 10 40 FECB COc1cccc(CNC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)c1 4089395 NUAUSNANLDHQPW-UHFFFAOYSA-N 369.373 2.380 10 40 FECB biogenic CNc1c(Br)cc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O 4830599 JPXNKIOPCQCYHP-UHFFFAOYSA-N 363.167 2.260 10 40 FECB O=C1/C(=C/c2ccccc2F)SC(=S)N1CCN1CCOCC1 12763385 XMMBFNFFMIVKIL-KAMYIIQDSA-N 352.456 2.359 10 40 FECB CN1CCc2cc([C@H](CNC(=O)NC(C)(C)C)N3CCOCC3)ccc21 35597229 SJSSBSIFZXHUCC-SFHVURJKSA-N 360.502 2.150 10 40 FECB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/NC(=S)NC2=O)c1C 408914446 XVTHCFPQGHNNNZ-RIYZIHGNSA-N 355.419 2.446 10 40 FECB CNC(=O)C1CCN(Cc2c(O)c(C(=O)OC)cc3ccccc23)CC1 12784980 XSNAHGKFFPWEGK-UHFFFAOYSA-N 356.422 2.290 10 40 FECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccccc2)c1 408865033 AEZRYBIXUUYNSV-UHFFFAOYSA-N 368.414 2.189 10 40 FECB O=C(O)COc1ccc(/C=C2\SC(=S)NC2=O)cc1Br 408529063 GWEHDCSUPVMPDH-WTKPLQERSA-N 374.237 2.401 10 40 FECB CCc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 16688878 KSZWNNFXNYQMBS-XFXZXTDPSA-N 357.478 2.338 10 40 FECB C/C(NCCO)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112117244 UXZLXBBCHFIXDQ-LGMDPLHJSA-N 366.377 2.202 10 40 FECB COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408915494 WHGQILPMYRFKJI-OQLLNIDSSA-N 368.320 2.279 10 40 FECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 4330349 PNIFZOJCVFYBSP-LJQANCHMSA-N 368.481 2.419 10 40 FECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 3262055 MAXYHMQALFTTSZ-UHFFFAOYSA-N 368.405 2.484 10 40 FECB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc(OC)cc2OC)C(=O)NC1=S 9360179 OVYZULXQLZEVAG-JMZICWNOSA-N 363.439 2.041 10 40 FECB Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O 33666992 XYUXZMRGFZWKSA-UHFFFAOYSA-N 361.442 2.333 10 40 FECB CCN(CCO)C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 4745612 KGJSFAYTTYNRPY-ACCUITESSA-N 368.480 2.102 10 40 FECB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCO)C2=O)cc1 4736926 ALMXTHMZHPFMAF-JXAWBTAJSA-N 351.406 2.302 10 40 FECB COc1ccc(Cn2nnnc2SCC(=O)c2ccc(O)c(O)c2)cc1 16368869 SWBDKAIRWSIJBA-UHFFFAOYSA-N 372.406 2.116 10 40 FECB COc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)c([N+](=O)[O-])c1 33705561 JYOWVVFMBXIBPL-UHFFFAOYSA-N 371.393 2.331 10 40 FECB O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)CSC1=S 28294074 HVLBQHXVXGXCLJ-UHFFFAOYSA-N 351.236 2.264 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 10906821 WWIRQFMNNFVPKQ-UHFFFAOYSA-N 370.409 2.286 10 40 FECB COc1ccc(N2CCN(C(=O)COC(=O)CCc3ccco3)CC2)cc1 5969089 LKYRVYAAJJDEIU-UHFFFAOYSA-N 372.421 2.113 10 40 FECB COc1ccc(N2CCN(C(=O)c3ccc(Cn4cccn4)o3)CC2)cc1 27981407 VPZFEIBVUJDRKY-UHFFFAOYSA-N 366.421 2.495 10 40 FECB CC(=O)[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C 104124478 XJQZLLRNUMTZNK-FVGNFYTDSA-N 374.422 2.322 10 40 FECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2cccc(C)c2)c1 408814596 RRKLTYVCRZAECI-UHFFFAOYSA-N 366.373 2.332 10 40 FECB O=c1ccc2ccc(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2o1 524729843 LPQUYTXQOLXAGW-HIFRSBDPSA-N 364.401 2.280 10 40 FECB biogenic O=C1NCCCC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O 84504636 JOBMYDKBCKOWPV-MRXNPFEDSA-N 357.410 2.366 10 40 FECB COc1ccc(N2CCN(CCNC(=O)c3ccc(F)cc3)CC2)cc1 56997181 MWIUDQAXMPADKM-UHFFFAOYSA-N 357.429 2.386 10 40 FECB C[C@H]1C[C@]2(C[C@@](C)(C3=NC(Nc4ccccc4)=S=C3)OC2=O)C(=O)O1 102631641 REKKQBUWJUBXAW-NBHSMZAVSA-N 358.419 2.203 10 40 FECB CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 58341571 GKUPRGYKKHGQDL-MRXNPFEDSA-N 371.485 2.017 10 40 FECB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)o1 408909757 IJUVNWYAOPEECR-MDWZMJQESA-N 370.386 2.210 10 40 FECB Cc1nn(-c2cccc3ccccc23)c(C)c1C=C1C(=O)NC(=O)NC1=O 408994658 GZZUUWSNMOOSGP-UHFFFAOYSA-N 360.373 2.392 10 40 FECB O=C(NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1)c1ccccc1 866375 ZWEMMLZKFKDXCL-CZIZESTLSA-N 374.422 2.136 10 40 FECB CN1CCN([C@@H](CNC(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)CC1 22417522 ICOKOONJAFZDFZ-SFHVURJKSA-N 361.534 2.139 10 40 FECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(Cc2cccc(F)c2)c1 408874400 AZUDKCFYRPZQKZ-UHFFFAOYSA-N 370.405 2.339 10 40 FECB COc1ccc(N2CCN(c3cc(=O)n4cccc(C)c4n3)CC2)cc1 27021852 BOPIOFMZQRZFJT-UHFFFAOYSA-N 350.422 2.338 10 40 FECB Cc1ccc(-c2csc(NC=C3C(=O)NC(=S)NC3=O)n2)cc1C 17053291 XCGOQNLCXXSLTH-UHFFFAOYSA-N 358.448 2.254 10 40 FECB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cncc(Br)c1 36622619 XMHZBYHLLVNTGR-UHFFFAOYSA-N 352.144 2.388 10 40 FECB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc1OC 409393756 ZZABGINQRBQCFS-UXBLZVDNSA-N 368.842 2.394 10 40 FECB CN1C(=O)C(=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N(C)C1=O 408718236 DHHCGLDHFFFDLN-UHFFFAOYSA-N 358.137 2.335 10 40 FECB COc1ccc(N2CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)cc1 42016928 REAJUJIZVSFUSV-UHFFFAOYSA-N 363.417 2.499 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC 13633318 FZPHYIHRPQRENA-XNTDXEJSSA-N 366.373 2.366 10 40 FECB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)ccc1O 409023219 VELJPYCOXAMBBQ-NTUHNPAUSA-N 372.377 2.371 10 40 FECB CN(C)c1ccc(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 12591766 KGJXDSZXTKGKNY-UHFFFAOYSA-N 365.433 2.332 10 40 FECB COc1ccc(CCNC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1OC 2172613 WKJZKNFGZORWFP-RTWAWAEBSA-N 373.449 2.327 10 40 FECB O=C(Cn1nnc2ccccc21)NCc1ccc(N2CCSCC2)cc1 54035804 JRRCDCHMVSCEHU-UHFFFAOYSA-N 367.478 2.301 10 40 FECB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cc(C)[nH]c3C)C2=O)cc1 96234415 KBSMRKSLCGYUDF-MHWRWJLKSA-N 353.378 2.270 10 40 FECB COc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)cc(OC)c1OC 35325360 QSZJTEBIJVAQTN-UHFFFAOYSA-N 362.338 2.256 10 40 FECB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc(NC(C)=O)cc2)C(=O)N=C1S 103220339 RWZQKSZSMNFZLL-ADVUTCEVSA-N 360.439 2.394 10 40 FECB C[S@@](=O)Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 54284640 VOTGOJUSOZIABV-SANMLTNESA-N 372.490 2.332 10 40 FECB COc1cc(N2CCCCC2)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O 409223273 FBZUVAIXEGCUDX-UHFFFAOYSA-N 357.410 2.119 10 40 FECB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(N(CC)CC)cc1 4710340 VEQTYPIAQUIIKF-MRXNPFEDSA-N 356.430 2.371 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1Cc2ccccc2O1 39995694 IROZHSFAGOJBGC-FQEVSTJZSA-N 352.434 2.485 10 40 FECB O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](CO)c1ccccc1 79969339 VMVPSNTXBRDNCM-SFHVURJKSA-N 373.428 2.195 10 40 FECB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\NCCCN1CCCCC1 103089959 KLPRQOCFWWOOBN-PEZBUJJGSA-N 372.494 2.195 10 40 FECB Cc1oc2c(c1C(=O)NCCCn1ccnc1)C(=O)c1ccccc1C2=O 1893208 YIRWPEPEHAEFKN-UHFFFAOYSA-N 363.373 2.380 10 40 FECB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(O)c(O)c2)NC(=O)N1 3844199 JEHXXIAHQCQTAS-KRWDZBQOSA-N 354.362 2.469 10 40 FECB biogenic COC(=O)[C@@H](C)Oc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33684295 ZOMAUIZRUQOOMS-OPCAMPFDSA-N 366.373 2.088 10 40 FECB CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S 107826292 YXBKMZIIDAYJOR-UKTHLTGXSA-N 365.436 2.262 10 40 FECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3C(=O)O)C2=O)c1 16349469 GKPDFJAUQJRCRX-UVTDQMKNSA-N 365.345 2.272 10 40 FECB O=C1NC(=O)C(=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)N1 408995559 AYPLCYGRCDANIP-UHFFFAOYSA-N 360.709 2.048 10 40 FECB COC(=O)c1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)cc1 1277049 GYDLRHKPTZOFAR-RILYUOAZSA-N 365.432 2.236 10 40 FECB O=C1N=C(N2CCOCC2)S/C1=C\c1cc(Br)ccc1O 12629060 FRFURELFSGGJTG-WQLSENKSSA-N 369.240 2.457 10 40 FECB O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1N1CCOCC1 13724860 SRARSCNUSXXNPY-NTEUORMPSA-N 358.448 2.078 10 40 FECB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1 6161174 URXPUCKQUBJZFG-YRNVUSSQSA-N 355.341 2.407 10 40 FECB COc1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)c(OC)c1 409108202 VPBOAPKZRQDMJX-KPKJPENVSA-N 358.375 2.128 10 40 FECB Cc1ccc(COc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1 2773682 LORCATPKUDEWFT-UHFFFAOYSA-N 352.415 2.488 10 40 FECB Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N\c1cc(S(N)(=O)=O)ccc1O 111412499 GCFVPDSCNABJRU-HNENSFHCSA-N 373.394 2.242 10 40 FECB CC[C@@H]1C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O 4946118 VPAITWKEDLFJMU-YECRJFCBSA-N 370.357 2.076 10 40 FECB biogenic CCOc1cc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OC)ccc1O 4699129 GDCIWBJDWGPLHK-UVTDQMKNSA-N 361.394 2.110 10 40 FECB C/C(NC#N)=C1\C(=O)[N@@H+](c2nc3ccccc3s2)N=C1c1ccccc1 667895749 QCBMSCWWNKFBBG-FOWTUZBSSA-O 360.422 2.102 10 40 FECB O=C1/C(=C\c2ccc[nH]2)SC(=S)N1NS(=O)(=O)c1ccccc1 5552861 GXBGHLJRXXIVDR-FMIVXFBMSA-N 365.461 2.109 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(NC(N)=O)c1 16134783 VAVUEEKGBIMFCU-UHFFFAOYSA-N 368.437 2.286 10 40 FECB COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc(OC)c1OC 33291276 RPGCSXVBIKBGDR-DHDCSXOGSA-N 368.389 2.482 10 40 FECB O=C1CSC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 585152380 WNCDXIMYEJIQCT-UHFFFAOYSA-N 371.490 2.309 10 40 FECB COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccncc3)c2oc1=O 6719381 OTKWAONTAAUEBD-UHFFFAOYSA-N 368.389 2.207 10 40 FECB COc1ccc(N2CCN(C(=O)c3ccc([S@@](C)=O)cc3)CC2)cc1 69834917 MWPYXXGXRSUWOR-VWLOTQADSA-N 358.463 2.395 10 40 FECB O=c1cc(CSc2nnnn2-c2ccccc2)c2cc(O)c(O)cc2o1 3348046 SCMNGLSPJUWMKQ-UHFFFAOYSA-N 368.374 2.472 10 40 FECB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccc(N(C)C)cc1)C2=O 18215278 CYKYNNWEFHEIKQ-UHFFFAOYSA-N 365.433 2.364 10 40 FECB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)OC 409346861 OPGZSARLIFVSGE-GHXNOFRVSA-N 353.421 2.126 10 40 FECB COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCS3)cc1OC 15953198 UQTFIOVCRPYJKP-LJQANCHMSA-N 357.455 2.484 10 40 FECB Cc1cc(C(=O)COC(=O)Cn2cncn2)c(C)n1-c1ccc(F)cc1 3303149 GAJVQOYDNRTQFX-UHFFFAOYSA-N 356.357 2.251 10 40 FECB CCN1CCN(C2=NC(=O)/C(=C/c3cccc(OC)c3OC)S2)CC1 20131387 KFDRUVNHASCURF-QINSGFPZSA-N 361.467 2.312 10 40 FECB COC(=O)CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 4844288 XIFCQCVLPAEKCI-KPKJPENVSA-N 351.405 2.180 10 40 FECB Cc1cc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(O)c(O)c2)CC(=O)N3)no1 61720132 VKXZLQMABUISEU-JTQLQIEISA-N 369.333 2.357 10 40 FECB O=C1N=C(O)/C(=C/NCCN2CCCCC2)C(=O)N1Cc1ccc(F)cc1 102544707 JYCSPTUHQKISAZ-VBKFSLOCSA-N 374.416 2.204 10 40 FECB CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccc(O)c(O)c1)C2=O 19326500 ZEPFJPXVKAVDAN-UHFFFAOYSA-N 350.418 2.255 10 40 FECB CC1(C)[C@@]2(C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@@]1(C)C(=O)C2=O 101405695 ODUKDQQDXYYVPC-VXKWHMMOSA-N 368.477 2.295 10 40 FECB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccn2)SC1=S 5477974 ZOTRGBRZFLKMPB-DFYQSJSGSA-N 354.478 2.489 10 40 FECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(C(=O)O)c3)C2=O)c1 19624583 AKSAIBWGYOACTR-GDNBJRDFSA-N 365.345 2.272 10 40 FECB CN1CCc2cc([C@H](CNC(=O)C3CCCC3)N3CCOCC3)ccc21 22733307 FOBBMXOIBVBDAX-FQEVSTJZSA-N 357.498 2.359 10 40 FECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(F)cc1 885629 WFJYQSWAJYUBHJ-QPEQYQDCSA-N 354.293 2.221 10 40 FECB O=S(=O)(N[C@H]1NCCS1)c1ccc(/N=N\c2cccnc2O)cc1 104123760 JSGSCLWVIWTLGZ-MGPWXQLLSA-N 365.440 2.101 10 40 FECB Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc(N(C)C)cc1 12543588 DPYDPOGESRRWAC-UHFFFAOYSA-N 352.442 2.056 10 40 FECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1C(=O)O 408768331 IACUYCHJECUREB-FBKCMUNRSA-N 371.389 2.236 10 40 FECB COc1ccc(N2CCN(CCNC(=O)Cc3cccs3)CC2)cc1 56997176 YARHZPIHZMRIGB-UHFFFAOYSA-N 359.495 2.238 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1277069 PVJKPIPVLGXEPO-XFFZJAGNSA-N 352.393 2.359 10 40 FECB CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 8172124 DPLUWFRLEMZBEK-UHFFFAOYSA-N 373.478 2.005 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 1277045 IUIGRXPPGWDYGK-CLUBXZQOSA-N 351.405 2.148 10 40 FECB Cc1ccc2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)n2c1 90396167 UOXDNAFEJIPQNL-UHFFFAOYSA-N 350.422 2.409 10 40 FECB COC(=O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nn1 95356839 UVXFZHGUYSFKOV-UHFFFAOYSA-N 356.426 2.084 10 40 FECB COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c1 967040 ISEDECUOEPIKHD-VQLBTBKJSA-N 353.421 2.378 10 40 FECB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccccc3O)C2=O)cc1 4461476 LPRFWTGTGXAHPR-PTNGSMBKSA-N 352.346 2.030 10 40 FECB CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 72303737 ONKYBNLUVHVHRV-HNNXBMFYSA-N 357.454 2.127 10 40 FECB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/NN3CCCCC3)C2=O)c1 9087401 JHHYMLADCIZNGO-QBFSEMIESA-N 374.397 2.001 10 40 FECB O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O 3884713 ZHYGHPLLFOHMQK-UHFFFAOYSA-N 372.742 2.453 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCc3cccnc3)C2=O)cc1Cl 5740107 XSUYYPNLORXWAT-GXDHUFHOSA-N 370.796 2.300 10 40 FECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Br)o1 409389540 BXNMHDSTTLYVDZ-JXMROGBWSA-N 362.139 2.104 10 40 FECB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)s1 1170432 MBFVAYNTFXKXKZ-MDWZMJQESA-N 356.359 2.421 10 40 FECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 2210370 AVVSOOIRSXQVCX-PAKSIRSJSA-N 369.395 2.345 10 40 FECB CC(=O)[C@H](/N=N/c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C 104124490 XJQZLLRNUMTZNK-BZROSYFNSA-N 374.422 2.322 10 40 FECB COc1ccc(N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc1 53954276 LTFBQXMMIJZGQI-UHFFFAOYSA-N 356.470 2.327 10 40 FECB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCCN1CCOCC1 100422933 VZSNWXDRSJKKIM-JXAWBTAJSA-N 360.433 2.134 10 40 FECB CN1C(=O)C(=Cc2c(-c3ccccc3)nc3sccn23)C(=O)N(C)C1=O 7900674 MIBSRCCTUSOCTF-UHFFFAOYSA-N 366.402 2.497 10 40 FECB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc2cccnc2c1 6399783 QVUDIDMWAYTYHY-UHFFFAOYSA-N 360.373 2.392 10 40 FECB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 408911676 BXFZCBYBTUKXJN-WEVVVXLNSA-N 354.815 2.004 10 40 FECB Cc1c(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cccc1[N+](=O)[O-] 40973387 DNRZWBHDJDBVBE-UHFFFAOYSA-N 357.347 2.078 10 40 FECB CN1CCCc2cc(CNC(=O)[C@H]3CCCN(c4ncccn4)C3)ccc21 58210447 HHICYAUWUXNQOL-SFHVURJKSA-N 365.481 2.392 10 40 FECB CN(C)c1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)cc1 96244846 UPRZORSELLRNIK-XLIONFOSSA-N 371.506 2.258 10 40 FECB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCO1 46405391 ULXKQIJVOPGCGL-OAHLLOKOSA-N 358.360 2.337 10 40 FECB COCCN1C(=O)[C@H](Cc2cc(OC)c(OC)c(OC)c2)SC1=S 8104586 JBCKVBUUICEMFM-ZDUSSCGKSA-N 371.480 2.130 10 40 FECB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCC(=O)O)SC1=S 8618735 ZVQAHFIRHGDKGK-IZZDOVSWSA-N 368.392 2.279 10 40 FECB COc1ccc(CNC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)cc1 6623837 LOFKHHBJVPPMRQ-UHFFFAOYSA-N 369.373 2.380 10 40 FECB biogenic CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1=O 5878560 KDTSMUNZYQKVRM-UHFFFAOYSA-N 353.378 2.088 10 40 FECB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc2c(c1)OCO2 2636326 MRDDVXSXVROMJN-UHFFFAOYSA-N 371.422 2.321 10 40 FECB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/C=C/c1ccco1 409194642 QKMJYEKJFTZTTM-GSPDUGTFSA-N 368.370 2.365 10 40 FECB COc1ccc(Sc2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1 5028550 DEPZNBPYXGDKBD-UHFFFAOYSA-N 360.416 2.354 10 40 FECB CN1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)C(=O)N(C)C1=O 6320523 RPFYRHHQNDFZCZ-UHFFFAOYSA-N 373.590 2.242 10 40 FECB O=C(O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 408591872 KWNXEKUVEPPIFE-LFIBNONCSA-N 365.389 2.417 10 40 FECB COc1cc([N+](=O)[O-])cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c1O 575442906 WUEZQDRAEKPWOS-CQSZACIVSA-N 354.326 2.155 10 40 FECB CCc1cc(CN(CC(=O)OC)CC(=O)OC)c(O)c(C(C)(C)C)c1 60381153 HOBXHDGPIATDIE-UHFFFAOYSA-N 351.443 2.400 10 40 FECB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 5346912 XPTBCUSOMKPWCT-IGEMTJHASA-N 353.421 2.408 10 40 FECB CCCN(C(=O)/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 6821830 BGWDFLNLVHWTMN-PYUISTEWSA-N 350.484 2.192 10 40 FECB COc1ccc(N2CCN(C(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC2)cc1 6386130 HAWNZINVYJBXJB-RTWAWAEBSA-N 372.465 2.466 10 40 FECB CCN(CC)CCCN/C=C1/C(=O)N=C(S)N(c2cccc(C)c2)C1=O 103113255 LDPYVNAKLFCWDU-SSZFMOIBSA-N 374.510 2.359 10 40 FECB Cc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)c2c(C)nn(C)c2n1 32899929 LDSMBGCBHNXEGN-UHFFFAOYSA-N 355.354 2.129 10 40 FECB CCCCCCN1C(=O)NC(=O)/C(=C/c2ccccc2OCC(=O)O)C1=O 4833463 PACWITHATJNNSY-KAMYIIQDSA-N 374.393 2.192 10 40 FECB COCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1C 408975847 ODZYARBLUIQXHL-UVTDQMKNSA-N 361.394 2.023 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cnc2sccc2c1=O 12540661 GLBCYTAPJLSWCS-UHFFFAOYSA-N 356.451 2.183 10 40 FECB Cc1ccc2nc(O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 9972026 SVZICUTVGGTMPR-WDZFZDKYSA-N 361.448 2.318 10 40 FECB COc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3cccs3)C2=O)cc1 3004625 ZYKBYMVWSFCXRR-ZROIWOOFSA-N 357.391 2.331 10 40 FECB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc([N+](=O)[O-])c1O 58865747 VJOJCZPHWYRNLH-UHFFFAOYSA-N 363.322 2.453 10 40 FECB COc1ccc2occ(/C=C3/C(=O)NN(c4ccccc4)C3=O)c(=O)c2c1 13541750 VHYOMIVRKPJQAC-SXGWCWSVSA-N 362.341 2.263 10 40 FECB Cc1ccc(-c2csc(NC=C3C(=O)NC(=S)NC3=O)n2)c(C)c1 17026035 RMUFAKWXMCKYAQ-UHFFFAOYSA-N 358.448 2.254 10 40 FECB C[C@]1(CCCOc2ccc(N)cc2)N=C(N)N=C(N)N1c1ccccc1 1703067 GXLIPJWSFDZQNU-IBGZPJMESA-N 352.442 2.294 10 40 FECB Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(C(=O)O)cc1 22800031 JEQKWYYCEOBJLU-UHFFFAOYSA-N 355.438 2.222 10 40 FECB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OC 408914618 RIRQPHMOXSUJAF-WEVVVXLNSA-N 354.815 2.004 10 40 FECB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 7146320 SMGLPIICVUTHHH-UHFFFAOYSA-N 362.451 2.345 10 40 FECB Cc1cc(C(=O)N(C)CC(N)=O)c(C)n1-c1ccccc1Br 63806542 RLAUIWXDSALGLT-UHFFFAOYSA-N 364.243 2.414 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 9117886 SIEDFRSUIXUUSH-CQSZACIVSA-N 373.428 2.394 10 40 FECB COCCCN1C(=O)/C(=C\c2ccccc2C(=O)O)C(C(=O)OC)=C1C 408796839 ZIDRFLJHQPGWCU-PTNGSMBKSA-N 359.378 2.094 10 40 FECB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 853107 QLJHZCSLUGPSDP-BOPFTXTBSA-N 366.421 2.252 10 40 FECB COC(=O)c1c(NC=C2C(=O)OC(C)(C)OC2=O)sc(C(C)=O)c1C 23127155 YJFUVLXIOSUQFF-UHFFFAOYSA-N 367.379 2.178 10 40 FECB Oc1cc2c(cc1[C@H](c1ccc3c(c1)OCO3)N1CCOCC1)OCO2 19909779 BJEIGUUUOWFEKX-IBGZPJMESA-N 357.362 2.271 10 40 FECB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/Nc1c(C)nn(C)c1C 408756740 JENJIUSBNVYOSY-OQLLNIDSSA-N 353.382 2.454 10 40 FECB COc1ccc(N2CCC[C@@]3(CN(Cc4nccn4C)CCO3)C2)cc1 96226308 INEVCOHZFFTEDT-HXUWFJFHSA-N 356.470 2.300 10 40 FECB O=C(O)/C=C/c1ccc2c(c1)O[C@@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2 72319976 XOLNJKHCNSNACU-IZYLRLOCSA-N 358.302 2.161 10 40 FECB biogenic,in-vitro COc1ccc(N2CCN([C@@H](C)C(=O)Nc3nnc(C)s3)CC2)cc1 25790514 XDUJRFOCAXOCNU-LBPRGKRZSA-N 361.471 2.004 10 40 FECB COc1ccccc1N/C=C1/C(=O)N(c2ccc3nnc(C)n3n2)N=C1C 36359993 DHNWTHLAQBBXKE-JLHYYAGUSA-N 363.381 2.160 10 40 FECB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 4884371 KRMDBRKLCRODOO-UHFFFAOYSA-N 360.391 2.125 10 40 FECB CCN(CC)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc1 28466726 NJFBNNOIDTWVCK-IJEWVQPXSA-N 373.375 2.343 10 40 FECB COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 35128893 TWSMYJYUXHVTOL-IGWPVBGESA-N 366.373 2.088 10 40 FECB O=C(O)c1csc(N2N=C(c3ccccc3O)C[C@@]2(O)C(F)(F)F)n1 5243379 TYKQXPJAQZRLBQ-CYBMUJFWSA-N 373.312 2.412 10 40 FECB Cc1cnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 48365466 LJIMLJVDXXKAID-KBPBESRZSA-N 358.417 2.468 10 40 FECB CN(C)c1ccc(CNc2ncnc3c2cnn3C2CCNCC2)cc1 228922434 LHIBITPCKRUBQE-UHFFFAOYSA-N 351.458 2.429 10 40 FECB COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)ccc1O 19908694 RADCFXRBORYSKP-LJQANCHMSA-N 359.378 2.257 10 40 FECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccccc2)c1 408800610 NXEJQEYMQOEMRF-UHFFFAOYSA-N 352.346 2.024 10 40 FECB CCOC(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 57646815 VZDIRZRKNCELBM-UHFFFAOYSA-N 366.437 2.312 10 40 FECB CCNc1cc(N2CCN(C)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 6661491 URCVIKFEQXGGMG-UHFFFAOYSA-N 364.449 2.228 10 40 FECB COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCOCC2)=NC1=O 13596902 DGAOLFQHAMRYOT-DHDCSXOGSA-N 364.423 2.015 10 40 FECB CCOc1cccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)c1 409095030 GKJZIGSOTIIWJH-RVDMUPIBSA-N 355.419 2.255 10 40 FECB CC(=O)NC1=NC(=O)/C(=C/c2cn(C(C)=O)nc2-c2ccccc2)S1 13118217 LAFKWDUNTHDDAB-ZSOIEALJSA-N 354.391 2.317 10 40 FECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 2430320 OXDIHLMKSUYKGI-WSQKDGNHSA-N 357.434 2.267 10 40 FECB COc1cccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c1OC 2252793 LULKDCUHINDVKH-CLUBXZQOSA-N 353.421 2.378 10 40 FECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC 107851103 ASBDWIDTRPDNQF-JYRVWZFOSA-N 369.333 2.073 10 40 FECB CCOC(=O)C(/N=N/c1ccc(Cl)cc1)(NC(C)=O)C(=O)OCC 100025437 HWHIJSLYDHHBBM-VHEBQXMUSA-N 355.778 2.382 10 40 FECB O=S(=O)(O)c1ccc(/N=N/Nc2ccc(S(=O)(=O)O)cc2)cc1 4794954 AJMWXYSMAMYAIT-UHFFFAOYSA-N 357.369 2.291 10 40 FECB COc1ccc(N2CCN(C(=O)CCSc3nncs3)CC2)cc1 26034735 ULWNYNMRRCRDDH-UHFFFAOYSA-N 364.496 2.378 10 40 FECB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)c1 38169533 JHHYMLADCIZNGO-ACCUITESSA-N 374.397 2.001 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 8705866 HPPATVSSJFWDFF-HDMKZQKVSA-N 361.486 2.318 10 40 FECB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCN1CCOCC1 96930785 OEKFMWJJXHUTAA-SDNWHVSQSA-N 352.456 2.359 10 40 FECB CN(C)c1ccc(CN2C[C@@H]3OCCN(C(=O)c4ccco4)[C@@H]3C2)cc1 96248746 QZNKHWDGKIZGSI-MJGOQNOKSA-N 355.438 2.071 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 1276989 SCNHHHJJPKGGNQ-LMRAXHDRSA-N 367.448 2.467 10 40 FECB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(F)cc3)C2=O)cc1 4844219 ULEAHZRFUXGMDE-YBEGLDIGSA-N 354.337 2.496 10 40 FECB C/C(=C1\SC(=S)N(CCS(=O)(=O)O)C1=O)c1ccc(F)cc1 5372367 FRJHHBQTGXYQFF-DHZHZOJOSA-N 361.441 2.305 10 40 FECB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 19078916 SVUHMJWUAVGGEZ-UHFFFAOYSA-N 374.447 2.384 10 40 FECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 32131472 CKRIVDIJIWXCAG-JYRVWZFOSA-N 369.333 2.161 10 40 FECB CS(=O)(=O)N1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1 48354176 PEXHHINHBYZBHV-UHFFFAOYSA-N 364.467 2.094 10 40 FECB O=C1N=C(O)/C(=C/NN2CCCCCC2)C(=O)N1CCc1ccccc1 34236963 YIJBKIRQOJQKBU-PEZBUJJGSA-N 356.426 2.412 10 40 FECB CN(CCO)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2F)cc1 19586142 NLQCKSZPKZAXOQ-CTNGQTDRSA-N 371.456 2.364 10 40 FECB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2O)CC3)C1 12185117 MXESMYOTVAZJQZ-CQSZACIVSA-N 354.454 2.270 10 40 FECB O=C1C(c2ccccc2)=S=C2C(N3CCOCC3)=Nc3ccccc3N12 334157684 CSAOIGRSVHHZDG-UHFFFAOYSA-N 363.442 2.493 10 40 FECB CCN(CC)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(C)=O)cc1 57384835 NJFBNNOIDTWVCK-DZKIICNBSA-N 373.375 2.343 10 40 FECB CN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)NC1=S 4544251 BHVIWVUMKHFFCM-ONNFQVAWSA-N 364.224 2.187 10 40 FECB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1cc(F)c(F)c(F)c1 101644412 FTEGPQAIBHHTJU-UXBLZVDNSA-N 373.298 2.260 10 40 FECB C[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1C(=O)c2ccccc2C1=O 12543433 WREBVQGTNNZQBJ-CYBMUJFWSA-N 351.406 2.054 10 40 FECB O=C(O)C1=C[C@H](c2ccc(O)c(O)c2)n2nc(-c3ccccc3)nc2N1 102335839 APFBELAGPAJBIO-CYBMUJFWSA-N 350.334 2.340 10 40 FECB CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OCC(N)=O)cc1 58308060 GCRONHQGDQEGSZ-UHFFFAOYSA-N 355.438 2.279 10 40 FECB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccccn1 2335924 LBABCVTVKWDZBO-UHFFFAOYSA-N 354.435 2.088 10 40 FECB CC1=NN2C(=N)/C(=C\c3ccc(N4CCOCC4)cc3)C(=O)N=C2S1 4663629 QWXSBQRIPDYDNG-KUUBSTEZSA-N 355.423 2.162 10 40 FECB CCOC(=O)C1=C(CN(CC)Cc2ccc(N(C)C)cc2)NC(=O)N[C@@H]1C 57381118 HKMAYNGTTCXKMW-CQSZACIVSA-N 374.485 2.093 10 40 FECB CN(C)c1ccc(CNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 14310852 GVFBXWOOLJYWLQ-UHFFFAOYSA-N 370.844 2.376 10 40 FECB O=C(CN1CCN(Cc2cc3c(cc2O)CCC3)CC1)N1CCCCC1 32855712 HETCMRRLFOCNBU-UHFFFAOYSA-N 357.498 2.011 10 40 FECB CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 1770392 CXSBICVJYBGJGG-BENRWUELSA-N 370.521 2.444 10 40 FECB COc1ccc(N2CCN(CCCNC(=O)Nc3cc(C)on3)CC2)cc1 32841312 KTHAPPLDNSRQSX-UHFFFAOYSA-N 373.457 2.325 10 40 FECB COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)O)C3=O)c2C)c1 408591177 IVNSRKBIOPSMQJ-PXNMLYILSA-N 369.377 2.080 10 40 FECB COc1ccc(N2CCC[C@@]3(CN(C(=O)c4cc(C)n[nH]4)CCO3)C2)cc1 96226318 YWIJHIXWJZYZEM-FQEVSTJZSA-N 370.453 2.238 10 40 FECB COC(=O)C1=C2CCCN2c2cc(Br)ccc2S1(=O)=O 67340795 VXRGDRFAFXUIQI-UHFFFAOYSA-N 358.213 2.221 10 40 FECB C#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 35107274 IHZKIFBMSMBBCI-PTNGSMBKSA-N 363.329 2.068 10 40 FECB CCOC(=O)c1cnn2c(O)cc(CN(Cc3ccco3)C3CC3)nc12 40153903 CBNTZKFIOGOKSR-UHFFFAOYSA-N 356.382 2.369 10 40 FECB Cc1c(C)c2cc(Cl)c(O)c(CN[C@H]3CCS(=O)(=O)C3)c2oc1=O 20650097 YMBBFAFDCPAKFF-JTQLQIEISA-N 371.842 2.046 10 40 FECB CN(C)c1ccc(CNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 8171964 SAYPAZPMONOKFN-UHFFFAOYSA-N 370.384 2.025 10 40 FECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(Cl)c1 101468970 CBLMOFNORYMQEE-JGWKKKPCSA-N 353.831 2.041 10 40 FECB O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1N1CCOCC1 13719278 IIDYBGVMGFUABY-RAXLEYEMSA-N 358.448 2.078 10 40 FECB CCc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1 4356789 BGFCVKUXYZMECY-HBZGRHIISA-N 365.432 2.378 10 40 FECB COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O)C(=O)N=C2O)cc1 8770976 QLODRIAWTRRRQZ-GXDHUFHOSA-N 368.345 2.280 10 40 FECB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(Br)cc1F 34926771 LEDYOUSECDTFEB-QMMMGPOBSA-N 363.233 2.433 10 40 FECB O=C(O)CN1C(=O)/C(=C\c2cc3c(cc2Cl)OCO3)SC1=S 3043981 GYRKFVYJMREVDM-WTDSWWLTSA-N 357.796 2.355 10 40 FECB CN1CCN([C@H](CNC(=O)c2ccco2)c2ccc(N(C)C)cc2)CC1 22589323 BIKMJDHVVIHRGA-GOSISDBHSA-N 356.470 2.064 10 40 FECB CN(C)c1ccc(CN2CC[C@@]3(CC(C(=O)NC4CCC4)=NO3)C2)cc1 96074511 WIRSDZLVOWBXCG-HXUWFJFHSA-N 356.470 2.142 10 40 FECB CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N(C)C)cc3)ccc21 15334887 SNCMORNJGVVERY-UHFFFAOYSA-N 373.478 2.140 10 40 FECB COc1ccc(OC)c2c1CN(Cc1cc3c(cc1O)OCO3)C[C@H]2O 29543388 PCFPQZSIQOTPGE-CQSZACIVSA-N 359.378 2.187 10 40 FECB Cc1n[nH]c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408537235 ZQIRGICEMAQNQE-JXMROGBWSA-N 359.773 2.259 10 40 FECB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1CCS(=O)(=O)O 38180462 CMJSFHMHKVYYOV-KPKJPENVSA-N 368.461 2.257 10 40 FECB CN1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2C2CCCC2)CC1 19589879 RKFAEZZMXNQWEQ-IBGZPJMESA-N 369.517 2.191 10 40 FECB CC[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)N(C)C(=O)N(C)C1=O 6224305 RJFVNTYRWCDIDJ-ZDUSSCGKSA-N 354.410 2.013 10 40 FECB CN(C)CCCNc1cc(N(C)C)c(N)c2c1C(=O)c1ccccc1C2=O 6664074 XSBFUTLHHLNOQN-UHFFFAOYSA-N 366.465 2.474 10 40 FECB Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2c(O)c(O)ccc12 6719814 XBKTUINCJQJJPN-UHFFFAOYSA-N 359.403 2.476 10 40 FECB CCCCCCN1C(=O)NC(=O)/C(=C\NCc2ccc3c(c2)OCO3)C1=O 5865733 RFKXBEVMYCQOFF-SDNWHVSQSA-N 373.409 2.048 10 40 FECB O=C(COC(=O)c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5833448 RXVDNFFSQPMEMD-UHFFFAOYSA-N 366.713 2.455 10 40 FECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1Cl 13654083 WXRBJIMGZAPWLO-HQQGHWSLSA-N 353.831 2.041 10 40 FECB O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1N1CCOCC1 54360803 OLPXNUDEBZOPTQ-GDNBJRDFSA-N 360.460 2.454 10 40 FECB O=C1N=C(O)/C(=C\c2coc3ccc(Br)cc3c2=O)C(=O)N1 17028486 XTUBIEUXEUKYLX-UHFFFAOYSA-N 363.123 2.145 10 40 FECB COc1cccnc1NC(=S)NCc1ccc(N2CCN(C)CC2)cc1 225777589 FDHXWSCMFWPGPE-UHFFFAOYSA-N 371.510 2.329 10 40 FECB CN(C)c1ccc(/C=c2\sc3nc4nc5ccccc5c4nn3c2=O)cc1 5484760 XASUWSPUNHIFLV-WJDWOHSUSA-N 373.441 2.466 10 40 FECB COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c1 967042 ISEDECUOEPIKHD-HLPMDPMVSA-N 353.421 2.378 10 40 FECB CN1CCN(C2CCN(Cc3cc(Br)ccc3O)CC2)CC1 19889865 SZIQVAVLQDQUII-UHFFFAOYSA-N 368.319 2.367 10 40 FECB C[C@@H]1C[C@]2(C[C@@](C)(C3=NC(Nc4ccccc4)=S=C3)OC2=O)C(=O)O1 102631635 REKKQBUWJUBXAW-VQTKTOELSA-N 358.419 2.203 10 40 FECB CN(C)c1ccc([C@@H]2C=C(C(=O)O)Nc3nc(C(F)(F)F)nn32)cc1 102335895 PQEXVPGUBVFXLC-NSHDSACASA-N 353.304 2.346 10 40 FECB CN(C)c1ccc(/C=c2\sc3nc(Cc4ccccc4)nn3c2=O)cc1 9914696 TVCULGWQYHXYJW-ATVHPVEESA-N 362.458 2.356 10 40 FECB COc1ccc(NC(=O)C/C(C)=C2/C(=O)NN(c3ccccc3)C2=O)cc1 1609047 DHPBLXNMPOPRQI-AQTBWJFISA-N 365.389 2.418 10 40 FECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 408894972 SOESWYGFWBRBRD-MKRLJBPISA-N 372.377 2.446 10 40 FECB COc1ccc(N2CCN(C(=N)Nc3ccc([N+](=O)[O-])cn3)CC2)cc1 225239169 XXQCZPSWBCOILP-UHFFFAOYSA-N 356.386 2.167 10 40 FECB CN(C)CCCN/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 103092098 LDPNUEOZDLHSIQ-RAXLEYEMSA-N 350.806 2.188 10 40 FECB Cc1cc(C)c(N2C(=O)/C(=C\NN3CCCCC3)C(=O)N=C2O)c(C)c1 17161021 HXOVORPFMRVBMJ-PTNGSMBKSA-N 356.426 2.273 10 40 FECB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O 13635239 IFPPWNCPMHVYIT-UVTDQMKNSA-N 352.346 2.376 10 40 FECB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 5340509 IFJIJNCNUPXXEA-LJQANCHMSA-N 368.481 2.419 10 40 FECB CN1C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N(C)C1=O 18107100 VLWRYYQXYUVZDZ-UHFFFAOYSA-N 362.183 2.364 10 40 FECB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)o2)C(=O)NC1=S 409233046 JQHWFNSFULNKPS-JLHYYAGUSA-N 355.419 2.485 10 40 FECB COc1cc(-c2cc(-c3cc(O)c(O)cc3O)nn2CCO)ccc1O 257313939 UUTCTIJWBAOGIL-UHFFFAOYSA-N 358.350 2.040 10 40 FECB COc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccco3)S2)cc1 5684068 KVRKGBLBLCFCQC-UKTHLTGXSA-N 364.404 2.237 10 40 FECB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(C)c3C)C2=O)c1 3659318 KSXHWZVJXIECAR-YVLHZVERSA-N 366.421 2.482 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 28495223 KEQOQRYJEBGNHE-UHFFFAOYSA-N 351.406 2.251 10 40 FECB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 7708117 VWDXWKWAVMHEFQ-UHFFFAOYSA-N 360.391 2.343 10 40 FECB CC(=O)Nc1cccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 59922804 BGRGXMDDZWJWSG-WJDWOHSUSA-N 364.361 2.224 10 40 FECB CCOC(=O)C1=C(CN(CC)Cc2ccc(N(C)C)cc2)NC(=O)N[C@H]1C 57381117 HKMAYNGTTCXKMW-AWEZNQCLSA-N 374.485 2.093 10 40 FECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O 101469869 VTOLVABIRJMCQV-WGLILOHCSA-N 365.349 2.334 10 40 FECB COC(=O)CN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 1237711 JZFCLQXMDBCOPC-DAXSKMNVSA-N 362.226 2.416 10 40 FECB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409389395 AWTVPZIIBUXFRB-SDNWHVSQSA-N 354.366 2.187 10 40 FECB COCCn1c(C)cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C 13425560 NFBGVSSPSPZRLC-YBEGLDIGSA-N 371.393 2.006 10 40 FECB O=C(CSC1=NCCN1)Nc1cccc2c1C(=O)c1ccccc1C2=O 6047850 LECKIZFXHNQUPZ-UHFFFAOYSA-N 365.414 2.093 10 40 FECB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\NC(=O)NC2=O)c1C 408808383 GARXIPGBRXSYLE-QPEQYQDCSA-N 356.338 2.191 10 40 FECB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)=O 2897725 JMGONLFHAQXGRJ-XNTDXEJSSA-N 352.346 2.082 10 40 FECB COc1cc2c(cc1/C=C1\SC(=S)N(CC(=O)O)C1=O)O[C@H](C)C2 13067047 OFPYJUNKNVXQIC-NWKJQJTJSA-N 365.432 2.304 10 40 FECB COc1cccc(-n2c(C)cc(C(=O)O[C@@H]3CCS(=O)(=O)C3)c2C)c1 58431107 HXGHILWYSPQWAV-MRXNPFEDSA-N 363.435 2.447 10 40 FECB CCN(CC)CCCN/C=C1\C(=O)N(c2ccc(OC)cc2)C(=O)N=C1O 103228344 XYIZMEXYLBDZIQ-SSZFMOIBSA-N 374.441 2.324 10 40 FECB COc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)c(OC)c1OC 36386846 YNYLRTYSCXNXDF-UHFFFAOYSA-N 362.338 2.256 10 40 FECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2cccc(F)c2)c1 408883458 VJCUBQUQNASSKP-UHFFFAOYSA-N 370.336 2.163 10 40 FECB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(F)c1 408913960 WIYMSCFVBCWJSX-OVCLIPMQSA-N 357.410 2.490 10 40 FECB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F 32906372 GQTAEOGIHFXRSA-CYBMUJFWSA-N 350.415 2.150 10 40 FECB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc2c(c1)C(=O)NC2=O 101140772 SWQYQAAUXGWTKJ-CXUHLZMHSA-N 364.336 2.428 10 40 FECB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCOCC1 1236363 GDZMSQCGVAUGTB-OWBHPGMISA-N 362.476 2.137 10 40 FECB CC1=NNC(=O)/C1=C\c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 408997988 PPMDAPSZGRQRKS-QPEQYQDCSA-N 370.325 2.195 10 40 FECB CCOc1cccc(CN2CCC(C(=O)N[C@H](C)COC)CC2)c1O 199402814 YTUAUHIMPWSSFF-CQSZACIVSA-N 350.459 2.154 10 40 FECB Nc1cc(N)c(S(=O)(=O)O)cc1/N=N\c1cc([N+](=O)[O-])ccc1O 104369989 PNSZUHGNMLTLEA-NXVVXOECSA-N 353.316 2.127 10 40 FECB O=C(O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S 3532598 KENOTTKNYNCVED-WQLSENKSSA-N 351.405 2.134 10 40 FECB COC(=O)C[C@@H]1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 219781172 SWBPOSZDPHMPHI-ZDUSSCGKSA-N 369.464 2.038 10 40 FECB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccs1 409189351 JVNSTMONDGKWGX-XYOKQWHBSA-N 358.400 2.278 10 40 FECB Cc1ccn2c(NC=C3C(=O)NC(=O)NC3=O)c(-c3cccs3)nc2c1 6585457 QMNOMYIWEOBYMT-UHFFFAOYSA-N 367.390 2.033 10 40 FECB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 209987495 OQJNVRPPBAREKS-UVTDQMKNSA-N 357.366 2.092 10 40 FECB CCCc1nnc(S)n1CC(=O)NCc1ccc(N2CCCC2)cc1 32914690 PISDZIGZFCHTGN-UHFFFAOYSA-N 359.499 2.436 10 40 FECB COc1ccc(N2CCN([C@@H]3CCCN(C4CCOCC4)C3)CC2)cc1 22851598 RDIDBPMQOGGMPI-HXUWFJFHSA-N 359.514 2.461 10 40 FECB CN(C)c1ccc(CNC(=O)CCn2ncc(=O)c3ccccc32)cc1 52938210 XNKHDBSNWYFDIV-UHFFFAOYSA-N 350.422 2.169 10 40 FECB Nc1cc(N)c(S(=O)(=O)O)cc1N=Nc1cc([N+](=O)[O-])ccc1O 263605287 PNSZUHGNMLTLEA-UHFFFAOYSA-N 353.316 2.127 10 40 FECB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O 4992983 LWAANWQXYIOOER-MDWZMJQESA-N 374.393 2.117 10 40 FECB CN(C)c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 59475164 NEJALORAPUURRG-GXDHUFHOSA-N 352.350 2.122 10 40 FECB N=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084809 CJAOVFGZRBVWNM-XMKMTVRSSA-N 374.382 2.250 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S 1277017 UJISQKAPJLWANG-VQLBTBKJSA-N 353.421 2.164 10 40 FECB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2O)CC3)C1 12185120 MXESMYOTVAZJQZ-AWEZNQCLSA-N 354.454 2.270 10 40 FECB Cc1cc(N2CCOCC2)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34890424 UEAFGDOZSBHRMJ-RGEXLXHISA-N 363.417 2.293 10 40 FECB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(OC)c1O 7166455 LLUBTEFYIJATMP-XFFZJAGNSA-N 369.420 2.085 10 40 FECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 4356992 JKZNDTLNXHXHKA-RUENWUOWSA-N 367.404 2.355 10 40 FECB CN(C)C(=O)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 19079265 GKWSQSQCNBDAIF-UHFFFAOYSA-N 362.436 2.194 10 40 FECB CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)c1 408917045 LLCRWADNLVXWGQ-NTEUORMPSA-N 354.387 2.406 10 40 FECB CC(=O)NC1=NC(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)S1 33731326 QIAWTPHKWQRKRN-YHYXMXQVSA-N 370.184 2.464 10 40 FECB CN(C)C/C=C/C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 81203254 UJPHIFNDKNYODT-YVZNUBBCSA-N 353.413 2.491 10 40 FECB COC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)ccc1Cl 4348510 INMSOZFEBDMBEA-UHFFFAOYSA-N 374.736 2.136 10 40 FECB Cc1ccc(N2C(=O)/C(=C/NCc3cccnc3)C(=O)NC2=S)c(C)c1 5625953 WCTYJHDMRNZNGL-RVDMUPIBSA-N 366.446 2.120 10 40 FECB Cc1cc(C(=O)OCC(=O)NC(=O)NC(C)C)c(C)n1-c1ccccc1 4835389 QSJYITIKOMJJAC-UHFFFAOYSA-N 357.410 2.485 10 40 FECB COc1ccc(N2CCN(C(=O)Cc3csc(NC(C)=O)n3)CC2)cc1 16890576 PSXPOYCVWHKCEG-UHFFFAOYSA-N 374.466 2.001 10 40 FECB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 16729268 RCVRAZZKFIFUFA-HBZGRHIISA-N 357.453 2.214 10 40 FECB Cc1cccc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c1 4356771 UCEWHKKMNHWVOP-CHPNCVJKSA-N 351.405 2.124 10 40 FECB COc1cc(OC)c(NC(=O)C[C@@H]2SC(=S)NC2=O)cc1Cl 34926827 BBVHMYWTGVOKAK-JTQLQIEISA-N 360.844 2.202 10 40 FECB Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408857563 OIUSRRVJHISGOJ-RIYZIHGNSA-N 350.330 2.390 10 40 FECB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(OC(F)(F)F)cc1 34926904 MLHXYLFZRHRCDB-MRVPVSSYSA-N 350.343 2.430 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S 1277019 UJISQKAPJLWANG-HLPMDPMVSA-N 353.421 2.164 10 40 FECB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O 100759774 IOROWXIUKQTYSG-FOWTUZBSSA-N 372.469 2.010 10 40 FECB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccnc2)SC1=S 1773863 MKMMEPPSXJNVIE-QBQSQJOESA-N 354.478 2.489 10 40 FECB Cc1cc(C)nc(Sc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)n1 409144629 LLCKGGQPKRJAIU-UHFFFAOYSA-N 372.406 2.271 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 9322221 HYJXQSBVTSHATN-OALUTQOASA-N 371.481 2.088 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1277131 OSLNUVWDSSSRSE-SDQBBNPISA-N 351.405 2.180 10 40 FECB COc1ccc(/N=N\C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)O)cc1 104314253 LPSDXVIOWJBFPN-YSGBTYPNSA-N 350.375 2.104 10 40 FECB COc1ccc(N2CCN(CCNC(=O)c3cccc(F)c3)CC2)cc1 56997188 QFSJJWXIVVEVGR-UHFFFAOYSA-N 357.429 2.386 10 40 FECB NC(=O)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 7716910 QQLKFBUTIJPETD-UHFFFAOYSA-N 367.408 2.045 10 40 FECB CCOc1ccc(N2C(=O)/C(=C\NN3CCCCC3)C(=O)N=C2S)cc1 6784047 GRGQECAAHVCVFD-QINSGFPZSA-N 374.466 2.119 10 40 FECB N=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(c3cccnc3)=NN12 41084243 VDHMBVIHFUNPTJ-ZHFXUQJZSA-N 368.334 2.250 10 40 FECB Cn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2293128 FGEDDUJAJBHVFZ-UKTHLTGXSA-N 374.194 2.454 10 40 FECB CN(C)c1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)cc1 21883694 BTRHYIKZHQHNHT-UHFFFAOYSA-N 350.422 2.169 10 40 FECB CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 575442986 JHOIRNDVLMGFIA-WJDWOHSUSA-N 352.346 2.457 10 40 FECB CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(S(N)(=O)=O)cn1 23732106 JDVCVXRFWQWJQM-UHFFFAOYSA-N 360.483 2.356 10 40 FECB Cn1c(=O)c(C2=NNC(=O)/C2=C\Nc2ccccc2)c(O)c2ccccc21 100261087 SICPSXGLDHGMGF-KAMYIIQDSA-N 360.373 2.074 10 40 FECB CN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 6625590 NYFCYAGZHNIGOT-BENRWUELSA-N 372.475 2.126 10 40 FECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1cc(Cl)ccc1O 106600204 CNBCELIQPAUPSG-XFFZJAGNSA-N 361.741 2.213 10 40 FECB COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 5186522 YSPYZOSZFJRGIJ-LFIBNONCSA-N 364.357 2.448 10 40 FECB Cn1cc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21 16052808 MLKHXLFEYOOYEY-OVCLIPMQSA-N 353.403 2.318 10 40 FECB CC[C@H](C)N1C(=O)/C(=C/Nc2cc(OC)ccc2OC)C(=O)N=C1S 103126975 BKUIQXQNHLKIHX-LZAIMSLLSA-N 363.439 2.453 10 40 FECB CN1CCN([C@@H](CNC(=O)NC(C)(C)C)c2ccc3c(c2)CCN3C)CC1 35597249 LWTCTNQGYQHNNH-IBGZPJMESA-N 373.545 2.065 10 40 FECB COCCCN1C(=O)/C(=C\c2cccc(OC)c2O)C(C(=O)OC)=C1C 4703009 IKOMBYHMIVFOJJ-KAMYIIQDSA-N 361.394 2.110 10 40 FECB COC(=O)COc1c(/C=C2\SC(=S)N(C)C2=O)cccc1OC 408535786 WKXIZZQRUCLCSC-XFFZJAGNSA-N 353.421 2.078 10 40 FECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCCC2)N(C)C)cc1 5340398 WCFNTLLLYHVJMG-LJQANCHMSA-N 374.529 2.311 10 40 FECB O=C1N=C(O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccco1 38186931 WSXGAKHSSSONDI-IZZDOVSWSA-N 357.278 2.396 10 40 FECB COc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cn1 225777561 UQAIUGZSGUFQHO-UHFFFAOYSA-N 371.510 2.329 10 40 FECB CN(C)c1ccc(CNC(=O)CCc2nc(-c3cccnc3)no2)cc1 32824875 YILWHZRDVORJIB-UHFFFAOYSA-N 351.410 2.447 10 40 FECB CC[C@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(=O)O 5374711 WKPJSLLSRMWMPH-LCFDYFRESA-N 364.448 2.111 10 40 FECB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(N)=O 2697663 IEMPPFBGOCBUQK-QPEQYQDCSA-N 366.464 2.169 10 40 FECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)N(C)C)ccc21 8963950 BWOIPYGMKURIEO-IBGZPJMESA-N 366.465 2.037 10 40 FECB N=C1/C(=C/c2ccco2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 101175669 XGVOUFTXYVFBCG-LRMJRWEHSA-N 371.422 2.301 10 40 FECB Nc1ccccc1C(=O)n1[nH]c(=O)c(/N=N/c2ccc([N+](=O)[O-])cc2)c1N 68602534 LFRSAUQVMRADKD-FMQUCBEESA-N 367.325 2.353 10 40 FECB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1O 409372876 NNAKSLCLPNMNJJ-MDWZMJQESA-N 356.334 2.046 10 40 FECB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCOCC1 1218308 VOCBVXQCVSRCKZ-BENRWUELSA-N 368.505 2.198 10 40 FECB NC(=O)c1cc(C2=NN=C(NCCc3cccs3)SC2)ccc1O 11127933 REYPECKCVHXJFX-UHFFFAOYSA-N 360.464 2.192 10 40 FECB COc1ccc(N2CCN(CC(=O)c3ccc4c(c3)OCO4)CC2)cc1 59308204 WDNCSUGQSAGKPM-UHFFFAOYSA-N 354.406 2.429 10 40 FECB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCC 408912717 RSKSPOFBTPCPHE-UXBLZVDNSA-N 368.842 2.394 10 40 FECB CN(C)c1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2cccs2)C3)cc1 35590293 ILLKDQSOVHNGAI-KRWDZBQOSA-N 368.462 2.465 10 40 FECB COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1 13598170 HWQXSFIHOFYVQC-UHFFFAOYSA-N 363.417 2.499 10 40 FECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O 97963992 VTOLVABIRJMCQV-IWKHNONTSA-N 365.349 2.334 10 40 FECB O=C(O)/C=C/c1ccc2c(c1)O[C@@H](C(=O)O)[C@H](c1ccc(O)c(O)c1)O2 72319974 XOLNJKHCNSNACU-FSBZLFFGSA-N 358.302 2.161 10 40 FECB biogenic,in-vitro COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1277033 YSYHKKAEZRSNSB-QJZKUFFDSA-N 351.405 2.178 10 40 FECB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2ccc(Cl)cc2)cs1 17156754 KXAMVETVBPTCJA-UHFFFAOYSA-N 364.839 2.290 10 40 FECB CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 12363831 DBHKABLYSCQSMV-LUAWRHEFSA-N 359.382 2.316 10 40 FECB O=C(NCc1c(O)ccc2c1CCCC2)c1cnc2sccn2c1=O 75159628 YPGGDDLHOSWIRP-UHFFFAOYSA-N 355.419 2.270 10 40 FECB Cc1cc(Br)cc(C)c1NC=C1C(=O)N(C)C(=O)N(C)C1=O 408532118 PQKPERJTBAJFOJ-UHFFFAOYSA-N 366.215 2.412 10 40 FECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(Cl)c1 13551011 CBLMOFNORYMQEE-HRYODUOUSA-N 353.831 2.041 10 40 FECB CN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(O)=NC1=S 4092095 PSNRJYZJYBQTKJ-UKTHLTGXSA-N 356.363 2.482 10 40 FECB Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c(C)n1-c1ccccc1 28672789 ZSRXYUGDLURAMH-INIZCTEOSA-N 356.422 2.498 10 40 FECB [N-]=[N+]=CC(=O)CCCCCNS(=O)(=O)c1ccc(Br)cc1 4844052 FAPZZFRVLORPBV-UHFFFAOYSA-N 374.260 2.158 10 40 FECB COc1cc(/C=C2/C(=O)NN(c3cccc(F)c3)C2=O)ccc1OC(C)=O 32099666 ZTUNISNPRVHHQC-NVNXTCNLSA-N 370.336 2.221 10 40 FECB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N=C3O)c2C)cc1 8997665 AIVXBELFIBHDHX-UHFFFAOYSA-N 367.361 2.470 10 40 FECB COc1ccc(CN2CCC[C@H]2c2nc(-c3cncnc3N)no2)c(O)c1 35426070 VUQKZAPFSGKMOA-AWEZNQCLSA-N 368.397 2.160 10 40 FECB biogenic,in-vitro Cc1cc(/N=N/c2ccccc2)c(NC[C@H](O)[C@@H](O)[C@@H](O)CO)cc1C 13118294 NARUXRZZSJCXFJ-KKVDKANRSA-N 359.426 2.206 10 40 FECB O=S(=O)(N[C@H]1NCCS1)c1ccc(/N=N/c2ncccc2O)cc1 16951569 UGHJODNJJJDKDI-IAFNSTAXSA-N 365.440 2.101 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 1277145 PFTCOKGPPXBFPK-XFFZJAGNSA-N 351.405 2.149 10 40 FECB COc1ccc(-n2nnnc2CNC(=O)NCc2ccc(Cl)cc2)cc1 9571387 AESYOPVUZNBOSY-UHFFFAOYSA-N 372.816 2.324 10 40 FECB CCN1CCN(C(=O)C2CCN(Cc3cc(Cl)ccc3O)CC2)CC1 819232 RCWKNRHNXQVDGK-UHFFFAOYSA-N 365.905 2.422 10 40 FECB O=C1NC(=S)N(CCc2ccccc2)C(=O)/C1=C/NCc1ccccc1 5626361 GINIGATWAXRCEJ-SAPNQHFASA-N 365.458 2.146 10 40 FECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 27530440 BYCHYEZRYMYIHZ-VUBLIPMDSA-N 369.395 2.345 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOC[C@@H]1c1cccn1C 95943803 KEDKPXFLYHLDRY-HXUWFJFHSA-N 370.497 2.123 10 40 FECB CC(=O)Nc1ccc2nc(NC=C3C(=O)OC(C)(C)OC3=O)sc2c1 44835333 XPMLSGAWFCMLNH-UHFFFAOYSA-N 361.379 2.387 10 40 FECB CCNC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(N)c1 225443067 RMAINPJUDVEGFN-UHFFFAOYSA-N 354.454 2.354 10 40 FECB CN1CCc2cc([C@@H](CNC(=O)c3ccccc3)N3CCOCC3)ccc21 22733522 PZVZZBNZSXWLMW-OAQYLSRUSA-N 365.477 2.482 10 40 FECB N=C1/C(=C\c2ccc(O)c(O)c2)C(=O)N=C2SC(c3cccnc3)=NN12 5215701 FJYZRJMLSBMRCV-RENHWFJASA-N 365.374 2.160 10 40 FECB COc1ccc(N(Cc2ccccc2)Cc2cc(=O)n(C)c(=O)n2C)cc1 10395304 NCKATENAQGPPGS-UHFFFAOYSA-N 365.433 2.299 10 40 FECB COc1ccc(N2C(=O)/C(=C\Nc3cccc(N)c3)C(=O)N=C2S)cc1 102518848 ZADVNOWIKIHMGP-GDNBJRDFSA-N 368.418 2.432 10 40 FECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3[N+](=O)[O-])C2=O)c1 95471489 DOFCRVBDLZRCHR-RAXLEYEMSA-N 366.333 2.482 10 40 FECB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1O 15276810 JMJHMZKGBQBQMZ-ZROIWOOFSA-N 352.346 2.376 10 40 FECB COc1ccc(N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1 23641374 KVWFIBZKGJIMDM-UHFFFAOYSA-N 357.454 2.094 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOC[C@H]1c1cccn1C 95943802 KEDKPXFLYHLDRY-FQEVSTJZSA-N 370.497 2.123 10 40 FECB COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc(OC)c1OC 819690 OOMSONMXRODLHX-UVTDQMKNSA-N 364.423 2.015 10 40 FECB CN(C)CCOC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S 8374250 MCBJBGXPTSJMHM-FLIBITNWSA-N 356.494 2.054 10 40 FECB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(O)c(O)c1 19826755 WGFPRIBNEXKBJO-UHFFFAOYSA-N 361.394 2.459 10 40 FECB Cc1cc(C(=O)O[C@H](C)C(=O)N2CCOCC2)c(C)n1-c1ccccc1 28672787 ZSRXYUGDLURAMH-MRXNPFEDSA-N 356.422 2.498 10 40 FECB Cc1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)ccc1F 49740573 VVWLEHBBCBGDFK-UHFFFAOYSA-N 364.442 2.449 10 40 FECB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)O)C3=O)c2C)cc1 408587294 BJKXDQQOOCVKQF-SXGWCWSVSA-N 353.378 2.380 10 40 FECB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)cc1 5643694 SEXYJSAGBBCJSH-UHFFFAOYSA-N 355.394 2.239 10 40 FECB CCOC(=O)N1CCN(/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 30819373 UKPCYLAWROFRBB-QBFSEMIESA-N 369.512 2.405 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccc(F)c1 12554921 JGVNMGCTYBTUAK-UHFFFAOYSA-N 364.442 2.483 10 40 FECB CN(C)c1ccc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 58184250 XKSLNNZCTAYQPD-UHFFFAOYSA-N 367.453 2.011 10 40 FECB CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 59109620 QNUFLHVSXPBJCC-UKTHLTGXSA-N 355.306 2.337 10 40 FECB Cc1cccc(N2C(=O)NC(=O)/C(=C/NNc3ccccc3C)C2=O)c1 5548076 PVPLOUFOTUYGTE-PTNGSMBKSA-N 350.378 2.387 10 40 FECB COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN(C)CC2)cc1 20719954 KDCSPKYIRPCERU-FQEVSTJZSA-N 356.422 2.466 10 40 FECB O=C1NC(=S)S/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 1084645 GNTYHOAPSXKMBV-WUXMJOGZSA-N 356.384 2.319 10 40 FECB CN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 2302515 QOGBKZSONVVVKU-YRNVUSSQSA-N 374.736 2.390 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 8705865 HPPATVSSJFWDFF-IIDMSEBBSA-N 361.486 2.318 10 40 FECB CCOC(=O)CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 28048183 PCSHGLUILLWCNC-SEYXRHQNSA-N 362.432 2.163 10 40 FECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1O 408915782 YLPJHHGAGYZVSP-NTUHNPAUSA-N 356.309 2.206 10 40 FECB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3O)cc2)C1 48368395 LZZKDBMBZOOWJL-OAHLLOKOSA-N 353.422 2.024 10 40 FECB COc1ccc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc1 4711761 LWQJUNGTBXKNRK-UHFFFAOYSA-N 355.394 2.495 10 40 FECB CC[C@@H](C(=O)NCc1nnnn1-c1ccc(OC)cc1)c1ccccc1 17269130 KEDADGVOSXNFSW-QGZVFWFLSA-N 351.410 2.481 10 40 FECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N(C)C)o2)C1=O 409238548 KZVKWJWFNYFZLQ-ACCUITESSA-N 369.377 2.411 10 40 FECB CCN(CCN(C)CC(F)(F)F)CC(=O)NCc1ccc(N(C)C)cc1 84774744 VLGDAAUDPVSUQW-UHFFFAOYSA-N 374.451 2.185 10 40 FECB COc1ccc(N2CN=c3s/c(=C\C=C\c4ccco4)c(=O)n3C2)cc1 5451762 WVGJMCHLLBGXKC-JVMMSCJMSA-N 367.430 2.060 10 40 FECB CN1C(=O)C(=CNc2ccc(Br)cc2Cl)C(=O)N(C)C1=O 60512849 BYBRZMJNCFLMJS-UHFFFAOYSA-N 372.606 2.449 10 40 FECB Cc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)o1 35648545 VZFAYPHWWGJKCN-LKJZUNMESA-N 355.393 2.107 10 40 FECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 4330346 PNIFZOJCVFYBSP-IBGZPJMESA-N 368.481 2.419 10 40 FECB CC[C@H]1C[C@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O 4946117 VPAITWKEDLFJMU-SVTHCXHUSA-N 370.357 2.076 10 40 FECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(F)c1 408947312 BYJPSLVJOPRYRQ-NTUHNPAUSA-N 354.293 2.221 10 40 FECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O 1202746 CEKRVLMKUYHSKU-GXDHUFHOSA-N 352.346 2.376 10 40 FECB COc1ccc(N2CCN(CCNC(=O)c3cccc(OC)c3)CC2)cc1 53230825 XLFVBMVKJUSYEX-UHFFFAOYSA-N 369.465 2.256 10 40 FECB COc1ccc(N2CCOCC2)cc1NC(=O)Cc1ccccc1C(=O)O 71284035 WNRTZUSWQWTIGG-UHFFFAOYSA-N 370.405 2.411 10 40 FECB CN(C)c1ccc(CNC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1F 58210854 CZLKMGWLUXQONK-UHFFFAOYSA-N 362.449 2.092 10 40 FECB O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c([N+](=O)[O-])ccc(Cl)c21 4091256 KDWYSUJMZOONHT-UHFFFAOYSA-N 367.722 2.270 10 40 FECB O=C(O)/C=C/c1ccc(O)c2c1[C@@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2 13383393 GJHXGOBGPWPCCK-HFPBVCCTSA-N 358.302 2.203 10 40 FECB biogenic,in-vitro O=C(O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)C1 2620232 QXQVVVDPSGPNQO-ZETCQYMHSA-N 354.211 2.184 10 40 FECB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1cccc(O)c1 1254517 ICODMLNAXZKNLC-QPEQYQDCSA-N 357.416 2.333 10 40 FECB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NN1CCCCC1 2269068 JEBCXHYMRBTTIJ-DTQAZKPQSA-N 364.405 2.297 10 40 FECB CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408537554 WFGWPDBNSOWWMP-TVVFGQNVSA-N 368.389 2.262 10 40 FECB COC(=O)[C@H](C)Oc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 35339589 UVAOWRFLKDSWLF-IGWPVBGESA-N 366.373 2.088 10 40 FECB Cc1ccc(C(=O)O)cc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 16347104 HKBDQKWPVYIXSB-UVTDQMKNSA-N 365.345 2.272 10 40 FECB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409246033 CXSBCTPXLPRNJJ-GZTJUZNOSA-N 366.421 2.496 10 40 FECB Cc1cccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)c1 4356769 UCEWHKKMNHWVOP-OYUORYAFSA-N 351.405 2.124 10 40 FECB CN1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(O)=NC1=S 2207123 ZFAUPOBHOLSRRW-UKTHLTGXSA-N 356.363 2.482 10 40 FECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/C=C/c1ccco1 408955210 TZXBMFGQENRBQF-GRWPVRQFSA-N 352.302 2.231 10 40 FECB CCOc1ccc(N2CCN(C(=O)CCNC(=O)C(C)(C)C)CC2)cc1 89991128 CIZMIZFSYOLZAT-UHFFFAOYSA-N 361.486 2.286 10 40 FECB CN(C)c1ccc(CN2CCC(c3noc([C@H]4CCC(=O)N4)n3)CC2)cc1 12222357 GXLLTFILJKUTTE-QGZVFWFLSA-N 369.469 2.466 10 40 FECB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\NC[C@H]1CCCO1 103123511 YAUIFUICTGCVFB-QAALXFNPSA-N 363.483 2.184 10 40 FECB CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2ccccc2O)C1 19573253 QIRCXVARUCWWIY-GFCCVEGCSA-N 353.469 2.027 10 40 FECB CC/C(C)=C1\C(=O)NN(c2ccc(I)cc2)C1=O 824593 ITQYGYQVGRSENS-DHZHZOJOSA-N 356.163 2.396 10 40 FECB COc1cc(C)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 408548069 CROYZQGMMLBUFE-WUXMJOGZSA-N 353.421 2.298 10 40 FECB COc1cccc(/C(C)=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c1 5372365 YBHSNLWNTKPEGT-FMIVXFBMSA-N 373.477 2.174 10 40 FECB CCOCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1CC(=O)OC 17074115 OMECSOCVMXZURK-JXAWBTAJSA-N 359.426 2.243 10 40 FECB CCOC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccc(O)c(O)c1 8843423 VDNXOUHMGHREFN-CYBMUJFWSA-N 362.411 2.263 10 40 FECB CCOc1cc(-c2cc(-c3cc(O)c(O)cc3O)nn2CCO)ccc1O 257269878 MRUDJJKORMDIBX-UHFFFAOYSA-N 372.377 2.431 10 40 FECB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C\NCc1ccco1 20357467 WPYGGDHPBHSOCY-QINSGFPZSA-N 359.451 2.387 10 40 FECB Cc1ccc(-c2nnn(CC(=O)N(C)Cc3ccc(N(C)C)cc3)n2)cc1 7019421 HJGFBFSXZKQRTE-UHFFFAOYSA-N 364.453 2.373 10 40 FECB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccccc1O 408534364 QQUWXHAMKXYAHR-WYMLVPIESA-N 351.362 2.009 10 40 FECB CN1C(=O)C(=CNc2cccc(C(=O)c3ccccc3)c2)C(=O)N(C)C1=O 6505067 QYNZIRPUZUKNPP-UHFFFAOYSA-N 363.373 2.264 10 40 FECB CCNC(=O)c1cc(N)ccc1N1CCN(c2ccc(OC)cc2)CC1 225489927 SMYBABCKFLPVJP-UHFFFAOYSA-N 354.454 2.354 10 40 FECB Cc1ccc(N2C(=O)N=C(O)/C(=C/N[C@@H]3CCCC[C@@H]3N)C2=O)cc1C 103228053 BDFQXPYRPSFJAS-HGXPIFGLSA-N 356.426 2.470 10 40 FECB Cc1cc(C(=O)N2CCOC[C@@H]2c2ncon2)c(C)n1-c1ccccn1 95981303 KJWSNOLHVUGVKV-OAHLLOKOSA-N 353.382 2.086 10 40 FECB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OC 4992979 PDTQKCUWJWIUAG-GXDHUFHOSA-N 358.394 2.498 10 40 FECB O=C1/C(=C/c2ccccc2O)SC(=S)N1CCCN1CCOCC1 17110085 RMDJZCZWDGOGJF-QINSGFPZSA-N 364.492 2.316 10 40 FECB O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1COCCO1 66322997 AGQBVRFOCNTICU-HNNXBMFYSA-N 374.359 2.086 10 40 FECB CCOc1cc2c(cc1/C=C1/C(=O)NN(c3ccccc3)C1=O)OCO2 4815337 UYMHVXYDTPRKCV-ZSOIEALJSA-N 352.346 2.275 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 1277107 IMRDEOZMPXDEGO-JYRVWZFOSA-N 367.448 2.468 10 40 FECB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 6080784 KKDNBOWDHVMEJU-SZJBZFAYSA-N 353.421 2.465 10 40 FECB CC(C)Nc1cc(N(C)CCO)c(N)c2c1C(=O)c1ccccc1C2=O 5452401 YEZFVAPVQSHNPW-UHFFFAOYSA-N 353.422 2.293 10 40 FECB Cc1ccc(NC[C@H](O)[C@@H](O)[C@@H](O)CO)c(/N=N/c2ccccc2)c1C 13110581 BVMBLTCSAVCYFW-GBTJRRPOSA-N 359.426 2.206 10 40 FECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)N(C)C)ccc21 8963949 BWOIPYGMKURIEO-LJQANCHMSA-N 366.465 2.037 10 40 FECB O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1N1CCOCC1 54361202 SRARSCNUSXXNPY-ZROIWOOFSA-N 358.448 2.078 10 40 FECB COCCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)C(=O)NC1=S 98086714 RJFUXLCUXSPURM-PTNGSMBKSA-N 370.430 2.122 10 40 FECB N[C@H]1CCCC[C@@H]1N/C=C1/C(=O)N(CCc2ccc(F)cc2)C(=O)N=C1O 1851816 NDAIJSNXWHOZRD-SROTWBRCSA-N 374.416 2.030 10 40 FECB CN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N(C)C1=O 4713727 SBCYSJHZOFBKKZ-UHFFFAOYSA-N 355.306 2.289 10 40 FECB O=C(O)CN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=S 3155620 BSZLOMZFCOIGIW-RUDMXATFSA-N 374.237 2.441 10 40 FECB CN(C)CCN(Cc1ccncc1)Cc1ccc(N2CCOCC2)cc1 22913787 LMUBNZONXUUWTC-UHFFFAOYSA-N 354.498 2.482 10 40 FECB NC(=S)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 67467013 VVMCRUSCOSKFBL-UHFFFAOYSA-N 355.463 2.087 10 40 FECB COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1Cl 408998513 QVKFQWTZIBYXMR-UHFFFAOYSA-N 374.736 2.136 10 40 FECB C[C@H]1CN(Cc2cc(O)c(CN3C[C@H](C)O[C@H](C)C3)cc2O)C[C@@H](C)O1 12418030 YSJBHHZYQNLUMA-GEEKYZPCSA-N 364.486 2.316 10 40 FECB CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 58341572 GKUPRGYKKHGQDL-INIZCTEOSA-N 371.485 2.017 10 40 FECB CC(C)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br 408867438 MJFOZVXIMBUTEX-UHFFFAOYSA-N 369.240 2.151 10 40 FECB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O 408890741 YMWJZSYNMFJSDU-MDWZMJQESA-N 358.737 2.418 10 40 FECB COc1cc(N2CCCCC2)ccc1C=C1C(=O)N(C)C(=S)N(C)C1=O 409242548 OLHFVGHIYJVKGJ-UHFFFAOYSA-N 373.478 2.284 10 40 FECB CS(=O)(=O)N1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 24528814 QTUNWUCJAGTXLJ-UHFFFAOYSA-N 354.859 2.276 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1cccc(O)c1 1476216 ALBMACMTSGILHE-JYRVWZFOSA-N 357.416 2.333 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)NCc1ccccc1 18150730 FJOQTXHGBUUUHO-UHFFFAOYSA-N 354.454 2.210 10 40 FECB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NCCCO 408535764 ZZXAKIYECNGBNV-LCYFTJDESA-N 352.232 2.336 10 40 FECB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 2449786 NVUGHCCCGOPLMN-RVDMUPIBSA-N 371.393 2.482 10 40 FECB O=C1c2ccccc2C(=O)c2c1c(C(=O)N1CCOCC1)c1ccccn21 1425766 CHYVMDXOOBVKRU-UHFFFAOYSA-N 360.369 2.187 10 40 FECB O=C1N=C(O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1 986836 LVVXYFRZYLBHLU-NTUHNPAUSA-N 356.309 2.103 10 40 FECB CCc1noc(C)c1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 55916636 GYBVLWJGSLGSGE-HNNXBMFYSA-N 370.453 2.177 10 40 FECB O=C(CN1CCOCC1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 20624368 GTVAQMXLEWJLEN-INIZCTEOSA-N 371.462 2.464 10 40 FECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 4603079 TXEOOICTORMZEE-CXUHLZMHSA-N 362.345 2.127 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCCO4)C2=O)cc1 408899940 QNYQDKLKTWRMDG-XNTDXEJSSA-N 364.357 2.433 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 1277105 CXADJVABBNQDDP-QPEQYQDCSA-N 367.448 2.468 10 40 FECB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 9262236 IULYMLMOKWSZLT-CVEARBPZSA-N 367.361 2.168 10 40 FECB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)nn(C)c2C)C1=O 408528372 FVOMMXGZMXBLFG-GXDHUFHOSA-N 367.409 2.178 10 40 FECB CCOc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 5372259 URHKBTUAHUPKHY-XFXZXTDPSA-N 373.477 2.174 10 40 FECB CCOc1ccc(/C=C2\SC(=S)N(N3C(=O)[C@H]4C[C@@H]4C3=O)C2=O)cc1 100243305 IHVWRDOPZQJCKF-BSHKOFBUSA-N 374.443 2.206 10 40 FECB COc1ccc(/N=N/C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)cc1 17261117 OPIRBQFWEHOLSR-IIQIJDNVSA-N 364.402 2.493 10 40 FECB CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 83865582 OYBFKKIXMJPTGP-INIZCTEOSA-N 354.406 2.361 10 40 FECB CCOc1cc(N(CC)CC)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O 96193689 YXUATGDWSOFEJG-UHFFFAOYSA-N 359.426 2.365 10 40 FECB CCCN(C(=O)/C=C/c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 6821839 BGWDFLNLVHWTMN-JEJOPICUSA-N 350.484 2.192 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)N2CCCc3ccccc32)cc1 8726527 QHVYMDQYRACRCV-UHFFFAOYSA-N 367.449 2.356 10 40 FECB COc1ccc(NC(=O)C/C(C)=C2\C(=O)NN(c3ccccc3)C2=O)cc1 16952203 DHPBLXNMPOPRQI-QGOAFFKASA-N 365.389 2.418 10 40 FECB CCn1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 48351469 RXNLSSPEEXRPQD-UHFFFAOYSA-N 357.458 2.433 10 40 FECB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 13511090 VTZDHHGRRKGOHN-WJDWOHSUSA-N 352.346 2.370 10 40 FECB Oc1cc2c(cc1CN1CCN(Cc3ccc4c(c3)OCO4)CC1)OCO2 23381987 AUZVTZOHORAHKC-UHFFFAOYSA-N 370.405 2.167 10 40 FECB COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1O 1237699 NCVDAJHILFPBPY-XYOKQWHBSA-N 353.421 2.467 10 40 FECB OCC1CCN(c2ccc(CNc3cncc(-n4cccn4)n3)cc2)CC1 58175546 DMDPKOOKNAZPIF-UHFFFAOYSA-N 364.453 2.483 10 40 FECB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)o1 408914764 YVSLITKEXZWHJV-MDWZMJQESA-N 370.386 2.210 10 40 FECB COc1cccnc1NC(=S)NCc1ccc(N2CCOCC2)cc1 225422594 JOJBFFATHQJWEJ-UHFFFAOYSA-N 358.467 2.413 10 40 FECB COc1ccc(/N=N/C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)O)cc1 17261108 LPSDXVIOWJBFPN-ZIPFOMIPSA-N 350.375 2.104 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1276921 GEDDPWJDANKOLE-CLUBXZQOSA-N 352.393 2.358 10 40 FECB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccc(O)cc1 1280970 ULQZQJYUIFOLEN-JYRVWZFOSA-N 357.416 2.333 10 40 FECB O=C(CN1C[C@H](O)C[C@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 108144850 IOFNPUNBWZVMQP-CKVSNKFESA-N 354.410 2.468 10 40 FECB CN1C(=O)C(=Cc2ccc(-c3ccccc3C(=O)O)o2)C(=O)N(C)C1=S 59139242 ICUHNPMCHMWLOP-UHFFFAOYSA-N 370.386 2.244 10 40 FECB COc1ccc(/N=N\C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)cc1 104314248 LPSDXVIOWJBFPN-UUPHZHHOSA-N 350.375 2.104 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1O 4689788 MDHSRDYBVXITEE-NTUHNPAUSA-N 372.377 2.371 10 40 FECB O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] 66323133 RNEFAAMGFOLZLT-KBPBESRZSA-N 373.331 2.335 10 40 FECB COc1ccc(N2CCN(S(=O)(=O)c3ccccc3OC)CC2)cc1 57429288 UOTCGSUTJSNCGF-UHFFFAOYSA-N 362.451 2.215 10 40 FECB CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)N(C)C1=O 5319683 XARTUFSOIFDZOT-UHFFFAOYSA-N 372.381 2.019 10 40 FECB Cc1cc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1[N+](=O)[O-] 408547069 LLZVLZPOKIAFQL-JYRVWZFOSA-N 370.321 2.071 10 40 FECB CCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)N(c2nnn[nH]2)N=C1C 34087006 POUPBRUMWZTQIQ-XNTDXEJSSA-N 369.429 2.251 10 40 FECB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCOCC1 1236362 GDZMSQCGVAUGTB-WYMLVPIESA-N 362.476 2.137 10 40 FECB Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)nc1NCCc1ccccc1 39402923 SBPGWPDYCRGVBE-PMPSAXMXSA-N 370.413 2.165 10 40 FECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccs1 623596 FVCJMIHDZISFMG-UHFFFAOYSA-N 374.443 2.250 10 40 FECB O=C(O)CCCN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 3193150 OIZSFELWWYFVHK-FLIBITNWSA-N 351.405 2.451 10 40 FECB O=c1oc2c(CNCCCN3CCOCC3)c(O)ccc2c2ccccc12 6759200 WZUAARXBUPHOQP-UHFFFAOYSA-N 368.433 2.464 10 40 FECB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(N)(=O)=O)cc1 17920877 TZERFUCXCBLOGZ-IJYGLTAASA-N 357.395 2.209 10 40 FECB in-vitro CCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)O)cc1 4831839 HVTGWLSYXUIULO-UWZWCOGJSA-N 372.472 2.175 10 40 FECB CC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)O 5125680 ODUWBNLPZPLFIZ-CQSZACIVSA-N 373.386 2.067 10 40 FECB Nc1c(/N=N\c2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1C(=O)c1cccnc1 100643970 XJMIRWYJCIHGRD-HNENSFHCSA-N 353.298 2.166 10 40 FECB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 408913118 KUMDGROKKCDUKU-RIYZIHGNSA-N 355.281 2.400 10 40 FECB COc1ccc(N2N=C(C)/C(=C(\C)NCCCN3CCOCC3)C2=O)cc1 100422930 LRRJQROFINAFJK-CYVLTUHYSA-N 372.469 2.004 10 40 FECB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)NC1=S 409392062 NQSYTAGJKMEMTL-JLHYYAGUSA-N 361.442 2.463 10 40 FECB COC(=O)CN(C)C(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 95349969 FIMSBNYQLGTKSS-UHFFFAOYSA-N 358.394 2.110 10 40 FECB CN(C)c1ccc(CNC(=O)CCN2C(=O)COc3ccccc32)cc1 8172211 CTVJQBARMFEHOM-UHFFFAOYSA-N 353.422 2.185 10 40 FECB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)s1 408951922 MWLZKRNBUJEWSV-KPKJPENVSA-N 356.359 2.452 10 40 FECB CCCCN1C(=O)N=C(O)/C(=C/NNC(=S)Nc2ccccc2)C1=O 12338864 JLNWWGGFVZJGBS-BENRWUELSA-N 361.427 2.080 10 40 FECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2F)SC1=S 4357053 BYCHYEZRYMYIHZ-PAKSIRSJSA-N 369.395 2.345 10 40 FECB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)c1 722460 NBHPYQZJVVFLJX-RIYZIHGNSA-N 368.345 2.076 10 40 FECB CCOc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Br 1097011 KUEXCWWRTUIBPE-RMKNXTFCSA-N 369.240 2.104 10 40 FECB CN1C(=O)/C(=C/c2ccc(C(=O)NCCCC(=O)O)cc2)SC1=S 5374707 LTDGRFITVXZTIZ-XFXZXTDPSA-N 364.448 2.112 10 40 FECB O=C(O)c1cc(NS(=O)(=O)c2cccc3nsnc23)ccc1F 19079437 GBUGYXMRQMBYLN-UHFFFAOYSA-N 353.356 2.329 10 40 FECB COC(=O)C1=C2CCCN2c2cccc(N3CCCCC3)c2S1(=O)=O 67340797 LYOUKAILGYLAJL-UHFFFAOYSA-N 362.451 2.449 10 40 FECB O=c1[nH]n2c(=O)c3c([nH]c2c1/N=N/c1ccc2c(c1)OCO2)CCCC3 4649619 YRDKRAPDUSHHNY-FMQUCBEESA-N 353.338 2.339 10 40 FECB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O 32192927 PCJUOGUJBLAUJQ-DHZHZOJOSA-N 372.377 2.371 10 40 FECB NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 44836281 WYGRGDRZBZTNBB-UHFFFAOYSA-N 357.229 2.414 10 40 FECB COc1ccc(N2CCC[C@@]3(CN(Cc4cnn(C)c4)CCO3)C2)cc1 96226306 UMPGSHLQEKNTDR-HXUWFJFHSA-N 356.470 2.300 10 40 FECB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCC(C)C 17076563 UUPXXYYLKKWRRY-ATVHPVEESA-N 374.397 2.380 10 40 FECB CNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2c1C(=O)CCC2 10157633 FHKGCYMRMCXORF-UHFFFAOYSA-N 367.453 2.373 10 40 FECB O=C(Nc1ccccn1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 58168949 INWUKPACCWIMRC-UHFFFAOYSA-N 355.394 2.367 10 40 FECB CCN(CC)CCCN/C=C1/C(=O)N=C(S)N(c2ccc(C)cc2)C1=O 103108666 FJCGZGULCLNSBD-SSZFMOIBSA-N 374.510 2.359 10 40 FECB O=C(O)CSCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 15109893 MIJQSSBPZJVMFP-UHFFFAOYSA-N 355.371 2.218 10 40 FECB Cc1nn(-c2ccc(F)cc2)c(C)c1C=C1C(=O)N(C)C(=O)N(C)C1=O 7913416 ZJKHXMFTZAIYFH-UHFFFAOYSA-N 356.357 2.062 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 1276981 ZCGQKLANJUPDAH-XSHGTHSTSA-N 367.448 2.467 10 40 FECB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cc(C)ccc3O)C2=O)cc1 4551374 OWMKQRIIOZQSOI-WJDWOHSUSA-N 366.373 2.339 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1277035 YSYHKKAEZRSNSB-VNUQYUTRSA-N 351.405 2.178 10 40 FECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(F)cc1 4551378 FXHYXGLNLMTFRF-UHFFFAOYSA-N 370.336 2.163 10 40 FECB Cc1cccc2c(=O)n(CCC(=O)NCc3ccc(N(C)C)cc3)cnc12 27132961 POVSQXPYKTZNGU-UHFFFAOYSA-N 364.449 2.477 10 40 FECB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2O)C3)CC1 19496967 CNNISIXGUSBLEH-UHFFFAOYSA-N 354.454 2.270 10 40 FECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 2429158 ASKWRHYDTBEHQR-UEUZTHOGSA-N 369.395 2.345 10 40 FECB NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1 16429448 BRDCNBLXZOZMDS-GHXNOFRVSA-N 366.445 2.083 10 40 FECB COc1ccc(N2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)cc1 35312940 YAMAKBWABFFLEK-UHFFFAOYSA-N 365.437 2.317 10 40 FECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCC2)N2CCCC2)cc1 5340618 AJNXVZUYJHXZGL-LJQANCHMSA-N 372.513 2.065 10 40 FECB Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 408828386 MVNXRZZUZHWVAR-UHFFFAOYSA-N 368.345 2.387 10 40 FECB COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OC(C)=O)C2=O 14643655 WWYQJKVSCKMFCP-MSOLQXFVSA-N 360.318 2.060 10 40 FECB biogenic,in-vitro CN(C)C[C@@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc2O1 662751992 NPRANQSODNGFHO-MRXNPFEDSA-N 351.450 2.302 10 40 FECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)N(C)C)cc1 5340488 URDKNEWTXRQJJC-GOSISDBHSA-N 372.444 2.249 10 40 FECB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1O 1067038 ICEFRACOOZHSPS-JYRVWZFOSA-N 368.345 2.076 10 40 FECB CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551730 WZDQJBULISYBTD-KAMYIIQDSA-N 353.334 2.455 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)Cn1ncc2ccccc2c1=O 40020085 ZKEOTLRYRLNEPW-UHFFFAOYSA-N 364.449 2.323 10 40 FECB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 5346910 XPTBCUSOMKPWCT-BCMYLCSRSA-N 353.421 2.408 10 40 FECB CCCCOCCCNC(=O)Cc1c(C)c2ccc(O)c(O)c2oc1=O 6660782 KHJWEDQMAPSIJL-UHFFFAOYSA-N 363.410 2.378 10 40 FECB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNC3CC3)c2oc1=O 20591769 XQOFJSJWAZRKKA-UHFFFAOYSA-N 351.786 2.428 10 40 FECB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)c1 408903924 BGGWZBOKFFUWMM-MDWZMJQESA-N 367.317 2.275 10 40 FECB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(Br)cc1F 34926770 LEDYOUSECDTFEB-MRVPVSSYSA-N 363.233 2.433 10 40 FECB COc1ccc(OC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 85842852 WEWPOVMBXFAXAC-SFHVURJKSA-N 372.465 2.266 10 40 FECB CN1CCCc2cc(CNC(=O)[C@@H]3CCCN(c4ncccn4)C3)ccc21 58210446 HHICYAUWUXNQOL-GOSISDBHSA-N 365.481 2.392 10 40 FECB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 4681713 NULOKQXGVLVNEF-UHFFFAOYSA-N 361.306 2.467 10 40 FECB COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1 16215419 QQHCHEMEOBPCQB-YBEGLDIGSA-N 366.373 2.366 10 40 FECB O=S(=O)(N[C@H]1NCCS1)c1ccc(/N=N/c2cccnc2O)cc1 16951577 JSGSCLWVIWTLGZ-IAFNSTAXSA-N 365.440 2.101 10 40 FECB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NCC(=O)O 100842724 KPFGEQSOUJPLIT-WDZFZDKYSA-N 352.188 2.038 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(O)c1 408892060 AJVYPNKQGKEQJD-OQLLNIDSSA-N 352.346 2.376 10 40 FECB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\N1CCCC1 408553494 ZNEXEPTZYPJIQQ-NTMALXAHSA-N 353.806 2.207 10 40 FECB COc1ccc(N2CCC[C@@]3(CN(Cc4cncn4C)CCO3)C2)cc1 96226310 XYGDUEKPIQAUSL-HXUWFJFHSA-N 356.470 2.300 10 40 FECB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O 100758965 SGCMLXOFEUBYSM-GHRIWEEISA-N 372.469 2.208 10 40 FECB COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 107849733 JUJCQVQBNZVNFP-YVLHZVERSA-N 367.405 2.468 10 40 FECB COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(OC)c1OC(C)=O 59418098 KSYDVAMPTAXRCM-KPKJPENVSA-N 353.421 2.460 10 40 FECB COc1ccc(N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1 39561489 NKNDVDYCDBMUES-UHFFFAOYSA-N 370.478 2.395 10 40 FECB CCOC(=O)c1cnc2c(/N=N/c3ccc(OC)cc3)c(N)nn2c1N 5462319 BUXVHVYLYJFLCM-QZQOTICOSA-N 355.358 2.494 10 40 FECB COc1ccc(N2CCN(C(=O)CN3CCCCCCC3=O)CC2)cc1 47557925 YFLUBDQLWUDEDQ-UHFFFAOYSA-N 359.470 2.137 10 40 FECB O=S(=O)(N[C@@H]1NCCS1)c1ccc(/N=N/c2ncccc2O)cc1 4972357 UGHJODNJJJDKDI-YWMAMYRUSA-N 365.440 2.101 10 40 FECB Cc1ccc(N2C(=O)/C(=C\NCCN3CCCCC3)C(=O)N=C2S)cc1 103226297 CMMZMHPJZOEOEE-SSZFMOIBSA-N 372.494 2.113 10 40 FECB COc1ccc(-n2cccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 641934 VBFNATXUNJVUKI-UHFFFAOYSA-N 355.419 2.085 10 40 FECB COc1cccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1 12763368 BLZGRFZDUKPSIA-QINSGFPZSA-N 364.492 2.229 10 40 FECB COC(=O)[C@@H](C)Oc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 35339590 UVAOWRFLKDSWLF-KAECEXQPSA-N 366.373 2.088 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 14077660 HPPATVSSJFWDFF-RVKKMQEKSA-N 361.486 2.318 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 1225709 CXXOMHAKBZXEKQ-ATVHPVEESA-N 365.389 2.428 10 40 FECB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 24359679 TWECIHOUFXLXIN-UHFFFAOYSA-N 362.451 2.360 10 40 FECB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 6510603 AUCGLDIPDRAFSM-UHFFFAOYSA-N 352.437 2.145 10 40 FECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1Cl 13654085 WXRBJIMGZAPWLO-LCFDYFRESA-N 353.831 2.041 10 40 FECB O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 408940470 UQTKVIMYDMAKNC-UHFFFAOYSA-N 365.336 2.410 10 40 FECB COC(=O)CN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 6003450 JZFCLQXMDBCOPC-QPJJXVBHSA-N 362.226 2.416 10 40 FECB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 1151016 IQSOOSHARLCYKH-NTEUORMPSA-N 370.361 2.355 10 40 FECB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccccc1O 9060565 NXONJVZMSGQVPS-KRWDZBQOSA-N 373.434 2.461 10 40 FECB COc1ccc(N2C(=O)/C(=C\c3ccccc3O)C(=O)NC2=S)cc1 5661575 FARHVGJLRUJNJW-UVTDQMKNSA-N 354.387 2.232 10 40 FECB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCC(N)=O 20608728 XHBWOIRGGQWSGH-MDWZMJQESA-N 366.464 2.171 10 40 FECB CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 2425780 NKCRUVHOHMXHCL-DTQAZKPQSA-N 372.469 2.092 10 40 FECB Cc1ccc(N2NC(=O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)cc1 4455987 NLBFRJQFQSPYPV-XNTDXEJSSA-N 366.377 2.431 10 40 FECB COCc1nc2ccc(NS(=O)(=O)c3cccc4nonc34)cc2[nH]1 44921556 QNIKYHVUWHJCBP-UHFFFAOYSA-N 359.367 2.046 10 40 FECB Cc1ccccc1/C=C1/SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O 32707964 UPOHVOFCFFRSCF-VUUNSECVSA-N 351.405 2.124 10 40 FECB CCN1C(=O)/C(=C/c2cc(Br)ccc2OC)C(=O)NC1=S 409392039 NGWJCEBYUYCGJQ-JXMROGBWSA-N 369.240 2.104 10 40 FECB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccsc1 409195058 SRIDFHAPKPUFHU-KPKJPENVSA-N 358.400 2.278 10 40 FECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC 96193613 QWBTTZPTUFSNPP-UHFFFAOYSA-N 354.815 2.052 10 40 FECB COc1cccc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1O 19567208 BOZUFQXSRRGFRE-UHFFFAOYSA-N 364.405 2.104 10 40 FECB CCOc1cc(/C=C2\SC(N3CCN(CC)CC3)=NC2=O)ccc1O 19808770 KRYUCQDBHHMQBU-VBKFSLOCSA-N 361.467 2.399 10 40 FECB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NN1CCN(C)CC1 103916609 DUIYDUUBQFIMBK-VBKFSLOCSA-N 370.482 2.045 10 40 FECB Nc1c(C(=O)Nc2cccc(N3CCOCC3)c2)cc(F)cc1[N+](=O)[O-] 70039010 BCIOKWYXJVVINA-UHFFFAOYSA-N 360.345 2.405 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1276919 XFOBNPDFGBALJN-XNYAHFKXSA-N 352.393 2.358 10 40 FECB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 2595763 DYRYHPXJGULUBB-RVDMUPIBSA-N 371.393 2.482 10 40 FECB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 8325776 WGXWDQBAQSRVGP-DAVUEJTQSA-N 351.405 2.480 10 40 FECB Cc1ccc(C(C)C)c(O)c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 95996989 KFQJKFVOCPFHGZ-INIZCTEOSA-N 366.527 2.129 10 40 FECB O=C(c1cccs1)c1coc2ccc(O)c(CN(CCO)CCO)c12 19881429 SPVFABNLGKYEON-UHFFFAOYSA-N 361.419 2.218 10 40 FECB CCN(CC)CCN/C=C1/C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O 2592366 IOROWXIUKQTYSG-VBKFSLOCSA-N 372.469 2.010 10 40 FECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NN(C)c3ccccc3)C2=O)c1 408536720 XOMMTROSTJNZIF-FOWTUZBSSA-N 364.405 2.411 10 40 FECB COc1ccc(N2CCN(C(=O)c3ccc([S@](C)=O)cc3)CC2)cc1 69834916 MWPYXXGXRSUWOR-RUZDIDTESA-N 358.463 2.395 10 40 FECB Cc1cc(C(=O)OCC(=O)NC2CC2)c(C)n1-c1ccc2c(c1)OCCO2 44968230 UTVRDVXQLVIWQV-UHFFFAOYSA-N 370.405 2.301 10 40 FECB Cc1cccc(C(=O)Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1 3032172 RJTHVBMHFGERQB-UHFFFAOYSA-N 366.398 2.129 10 40 FECB O=C(NCCc1ccc(O)c(O)c1)Nc1nncc(-c2ccccc2)n1 95397658 ISZWUFKAVLCXGA-UHFFFAOYSA-N 351.366 2.314 10 40 FECB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2cccc(O)c2)C1=O 13779246 PLCAFFZYJHXRGM-LCYFTJDESA-N 359.432 2.277 10 40 FECB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)s1 9576830 HLVHMIBPZLPWJB-NTCAYCPXSA-N 355.419 2.046 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(F)cc1 12554243 VZBKUPPBGIOKTD-UHFFFAOYSA-N 364.442 2.483 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 23642303 HYJXQSBVTSHATN-KDURUIRLSA-N 371.481 2.088 10 40 FECB CCNc1nc(NCC)nc(NNC(=S)Nc2ccc(OC)cc2)n1 4063905 WPIWMSAAAIOXFW-UHFFFAOYSA-N 362.463 2.057 10 40 FECB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 5340508 IFJIJNCNUPXXEA-IBGZPJMESA-N 368.481 2.419 10 40 FECB COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCc1ccccc1 113859931 ZPCSJEXLZMWEHD-UHFFFAOYSA-N 368.414 2.189 10 40 FECB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 408914165 ODPFJHKWPYDOBO-NTUHNPAUSA-N 371.280 2.106 10 40 FECB CN(C)c1ccc(CNC(=O)Cc2csc(N3CCCC3=O)n2)cc1 8172283 FYMOXBCUTIZFJR-UHFFFAOYSA-N 358.467 2.195 10 40 FECB CN(C)c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 30497746 SRTSCOWIAUPUGJ-UHFFFAOYSA-N 373.478 2.358 10 40 FECB CC(C)OC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1 4853178 RYYSURLYGOXITN-UHFFFAOYSA-N 368.345 2.261 10 40 FECB CCOc1cccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OC)c1O 6964909 XMGFITYVLUZTGI-KAMYIIQDSA-N 361.394 2.110 10 40 FECB COc1ccc(N2CCN(CC(=O)NCc3ccccc3F)CC2)cc1 58031704 KAYFAWCXIMIKOC-UHFFFAOYSA-N 357.429 2.273 10 40 FECB Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 59305913 AGTNOBZHXVKQQI-UHFFFAOYSA-N 352.415 2.488 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(N)c3)C2=O)cc1C 5740032 ZRJGDBKBPWDHIK-MHWRWJLKSA-N 350.378 2.464 10 40 FECB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1O 41085008 CJRDTIOOZAQISO-GXGXXEIJSA-N 371.422 2.073 10 40 FECB COc1ccc(Cn2nccc2NC=C2C(=O)OC(C)(C)OC2=O)cc1 100395511 LBTSTNKBKYTZFF-UHFFFAOYSA-N 357.366 2.072 10 40 FECB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 18167217 UVBXLJYXTDVDFZ-LFIBNONCSA-N 370.409 2.352 10 40 FECB CN(C)c1ccc(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 24378421 BFVPIBILTDWXRR-UHFFFAOYSA-N 362.433 2.288 10 40 FECB O=C(O)[C@H](CO)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5374339 TZBZYQCXKZBVEK-SGRPLGENSA-N 361.803 2.126 10 40 FECB Nc1ccc(/N=N\c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O 100455475 DCYBHNIOTZBCFS-PFONDFGASA-N 357.369 2.178 10 40 FECB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)C1 2620231 QXQVVVDPSGPNQO-SSDOTTSWSA-N 354.211 2.184 10 40 FECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Cl)cc1 101474732 IWYNAQVDYDYAGD-SJWLEHQBSA-N 353.831 2.041 10 40 FECB COc1cc2c(cc1/C=C1\SC(N3CCOCC3)=NC1=O)O[C@H](C)C2 8944804 GTUPEMGIFZMWRE-FFCYNSPCSA-N 360.435 2.321 10 40 FECB Cc1ccc(-n2nc(C)c(C=C3C(=O)NC(=S)NC3=O)c2C)cc1C 409003008 YAMLHBMJUPIGTE-UHFFFAOYSA-N 354.435 2.020 10 40 FECB Cc1ccc(O)c(CN[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1 49421009 BWUZAKKDRVGXPV-GOSISDBHSA-N 366.465 2.356 10 40 FECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccccc1[N+](=O)[O-] 5616818 LHJJUWAYXVQGLR-ZRDIBKRKSA-N 352.306 2.174 10 40 FECB CN(C)Cc1c(O)c(Br)c(C(=O)O)c(Br)c1O 3843503 QZGXIFCZXPYBPI-UHFFFAOYSA-N 369.009 2.383 10 40 FECB biogenic COc1ccc(-n2nnnc2CNC(=O)Nc2cccc(OC)c2)cc1 9571353 XHAGRNMVUMVFSG-UHFFFAOYSA-N 354.370 2.001 10 40 FECB COc1cc(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc1O 35859104 OEJOTRCRBCKZAL-BBOMDTFKSA-N 374.345 2.064 10 40 FECB biogenic,in-vitro Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 1192777 WXCPVQPBCWENCR-RIYZIHGNSA-N 350.330 2.390 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 1277047 IUIGRXPPGWDYGK-XNYAHFKXSA-N 351.405 2.148 10 40 FECB CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)NC1=O 4268603 MUYMJTJQJJCERV-FLIBITNWSA-N 360.464 2.314 10 40 FECB CCOC(=O)Cc1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O 16957670 VZCPXFJTZLEMJO-UHFFFAOYSA-N 362.341 2.216 10 40 FECB COc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)CC2)cc1 6715607 ZLMRXHAVINLZGK-BODMPHMZSA-N 358.438 2.091 10 40 FECB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 408903881 AUTYYIMRDBJRLA-WUXMJOGZSA-N 371.280 2.106 10 40 FECB Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1ccc(N(C)C)cc1 23744810 BEZZHXJXMNEIQJ-UHFFFAOYSA-N 366.469 2.398 10 40 FECB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 3106923 OBOTXQZIHDIZSF-MDWZMJQESA-N 359.725 2.415 10 40 FECB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1c(F)cccc1F 101643226 GXXZAAUWDPFKSD-JXMROGBWSA-N 355.308 2.121 10 40 FECB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3=NNC(=O)CC3)c2C)cc1 7141466 NCZPFCVTQOQENI-UHFFFAOYSA-N 367.405 2.394 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 408898398 MAINTRRUFUEXTF-NTEUORMPSA-N 367.317 2.275 10 40 FECB Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)nc1NCCc1ccccc1 39402919 SBPGWPDYCRGVBE-JYJNAYRXSA-N 370.413 2.165 10 40 FECB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CCS(=O)(=O)O 2824607 NUEKYIREMDLXIV-JXMROGBWSA-N 363.869 2.429 10 40 FECB COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(F)c3)CC2)cc1 3555525 ORZFHXBBLKIUIO-UHFFFAOYSA-N 372.396 2.340 10 40 FECB Cc1ccc(N2C(=O)/C(=C\NCc3ccco3)C(=O)NC2=S)cc1C 101037699 SPJYLRRTYFEXLX-GDNBJRDFSA-N 355.419 2.318 10 40 FECB Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 408827682 FXNCNAYVFIHPCJ-UHFFFAOYSA-N 368.345 2.387 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3N)C2=O)cc1C 9356674 AEFQXGBIZFHMIK-GXDHUFHOSA-N 350.378 2.464 10 40 FECB CN(C)c1ccc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1 19584979 JFWJGIHAMXYOLU-UHFFFAOYSA-N 361.449 2.456 10 40 FECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)N(C)C)cc1 4330373 ZCYRUONQNJEQJS-SFHVURJKSA-N 372.444 2.249 10 40 FECB CN1CCc2cc(CNC[C@@H]3CC(=O)N(C)[C@H]3c3ccncc3)ccc21 1775958860 KEDKFIMOKXXECM-RXVVDRJESA-N 350.466 2.383 10 40 FECB O=C1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCN1 42078350 QASHKRODPJHFLA-RTBURBONSA-N 367.424 2.182 10 40 FECB Cc1ccc([N+](=O)[O-])cc1-n1cccc1/C=C1/C(=O)NC(=S)N=C1O 4908828 CHWJABCGKBMKJP-UHFFFAOYSA-N 356.363 2.449 10 40 FECB COc1ccc(N2CCN(CCNC(=O)Cc3ccc(F)cc3)CC2)cc1 56997183 IOHHZGLBAJIPDX-UHFFFAOYSA-N 371.456 2.315 10 40 FECB COc1ccc(S(=O)(=O)Nc2ccc(O)c(NC(C)=O)c2)cc1OC 32912818 KOOGVSVZZXJRJY-UHFFFAOYSA-N 366.395 2.169 10 40 FECB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 9009618 QOLXMINZPJBCKT-LFIBNONCSA-N 364.361 2.224 10 40 FECB CN(C)c1ccc(CN2C[C@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)cc1 96245548 LPYSKKSCYDYRFR-OALUTQOASA-N 350.466 2.352 10 40 FECB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccncc2)SC1=S 1819358 VWFQQYPZLQVCJJ-DFYQSJSGSA-N 354.478 2.489 10 40 FECB COc1ccc(N2CCN(Cn3c(CO)nc4ccccc43)CC2)cc1 25765259 AGBMVXIAFHEQJD-UHFFFAOYSA-N 352.438 2.317 10 40 FECB CCCN1C(=O)/C(=C/c2ccc(OCC(N)=O)c(OC)c2)SC1=S 9188412 SXOWHMURRYZGGW-JYRVWZFOSA-N 366.464 2.171 10 40 FECB O=C1/C(=C\c2ccc3nccnc3c2)SC(=S)N1N1CCOCC1 13726040 IGLKKFTYQVRSES-GXDHUFHOSA-N 358.448 2.078 10 40 FECB CN(C)CCOC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 4807506 CXSBICVJYBGJGG-ZRDIBKRKSA-N 370.521 2.444 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 103369197 HPPATVSSJFWDFF-RLFYNMQTSA-N 361.486 2.318 10 40 FECB O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1N1CCOCC1 54361153 IGLKKFTYQVRSES-UVTDQMKNSA-N 358.448 2.078 10 40 FECB COC(=O)C1=C(C)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\N(C)C 29763471 UVKATTBKFKRABE-VBKFSLOCSA-N 353.422 2.445 10 40 FECB CN1CCN(c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 216931076 GRDKIMOQJZSHBL-UHFFFAOYSA-N 368.437 2.206 10 40 FECB CCNC(=O)C1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 26711120 XDUXYKGJBVTIFB-FNORWQNLSA-N 361.398 2.134 10 40 FECB CCNc1nc2c(s1)[C@H](c1cc(OC)c(O)c(O)c1OC)CC(=O)N2 35324898 QOVVWDNNFVNGQW-QMMMGPOBSA-N 365.411 2.477 10 40 FECB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 4357090 WGXWDQBAQSRVGP-DKBJHAQFSA-N 351.405 2.480 10 40 FECB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(O)c1 85413033 OYSGYARHQRQTMK-PBHICJAKSA-N 354.314 2.270 10 40 FECB COc1ccc(N(C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC 58183294 ALDJFZFFKJQMPG-UHFFFAOYSA-N 371.437 2.481 10 40 FECB CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)O)c(N)c23)CO1 4795789 KQYOEPMBGKNTDJ-UHFFFAOYSA-N 363.439 2.265 10 40 FECB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 5248138 NEJALORAPUURRG-UVTDQMKNSA-N 352.350 2.122 10 40 FECB COc1ccc(N2CCN(CN3C(=O)c4ccccc4C3=O)CC2)cc1 19841873 LMHADVKBAWOPHK-UHFFFAOYSA-N 351.406 2.071 10 40 FECB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(C)C3=O)c2C)cc1C 408757682 OTVJTFRPHBYFCY-CXUHLZMHSA-N 352.394 2.198 10 40 FECB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1 33911719 WDSWCNRLVZQEKM-UHFFFAOYSA-N 350.440 2.248 10 40 FECB CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccc(O)cc1O)C2=O 19326496 OZXHCCZILOOEOM-UHFFFAOYSA-N 350.418 2.255 10 40 FECB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1ccccc1Cl 101652053 NHCMITCJBXWBID-DHZHZOJOSA-N 353.773 2.496 10 40 FECB COc1ccccc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O 12818412 MBODXSFFYWYAES-QINSGFPZSA-N 364.492 2.229 10 40 FECB CN1CCN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 216925792 SPXFIVRNBMOFBB-UHFFFAOYSA-N 354.410 2.277 10 40 FECB CC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)O 5125679 ODUWBNLPZPLFIZ-AWEZNQCLSA-N 373.386 2.067 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S 1277125 DLAFGCMJKLDWBO-GHXNOFRVSA-N 353.421 2.165 10 40 FECB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NCc1ccccn1 19894279 PPDRXIKEOXPHDP-XMHGGMMESA-N 364.405 2.411 10 40 FECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 2174029 BXYLTZUZKYRKJU-HEUOVEHFSA-N 371.389 2.236 10 40 FECB Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)nc1NCc1ccccc1 39402931 QELIGPSFLCOCEO-ILXRZTDVSA-N 356.386 2.123 10 40 FECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)N(C)C)cc1 5340478 GJFDPROQEQPGAC-SFHVURJKSA-N 372.444 2.249 10 40 FECB CN1CCCc2cc([C@H](CNC(=O)c3ccco3)N3CCOCC3)ccc21 13008326 MJSVZSHHCSZPGI-IBGZPJMESA-N 369.465 2.465 10 40 FECB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(O)c1 408887102 MBBHSTUQDLGBSY-ZROIWOOFSA-N 354.387 2.232 10 40 FECB COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)o3)C(=O)NC2=S)cc1 9263185 JICNAPHRJVTDHO-UVTDQMKNSA-N 371.418 2.186 10 40 FECB CCCCNC(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4310999 CWRLBJFZEAJYQT-UHFFFAOYSA-N 366.417 2.396 10 40 FECB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)c1 408816383 LIYYJMUECAKMHR-NVNXTCNLSA-N 353.378 2.369 10 40 FECB COc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 19912061 RXUPYOOICPCNPB-ZWSXMNCCSA-N 369.489 2.084 10 40 FECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]cn1 103916141 HCUHOXADWNJWEG-WJDWOHSUSA-N 354.370 2.147 10 40 FECB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 9262241 IULYMLMOKWSZLT-JKSUJKDBSA-N 367.361 2.168 10 40 FECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2cccc(F)c2)c1 408876700 QBPIEVLEBOXPHL-UHFFFAOYSA-N 354.337 2.175 10 40 FECB COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)cc1 408591066 IFTNIRZLSYYHJG-CXUHLZMHSA-N 369.377 2.080 10 40 FECB CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3sccc3C2)c1 55165556 JAOAMNCMFPSYMM-UHFFFAOYSA-N 352.437 2.024 10 40 FECB CC(=O)N1CCCC[C@@H]2[C@H]1CCN2Cc1ccc(N2CCOCC2)cc1 19712517 DIFHPTZQGNYCHE-NHCUHLMSSA-N 357.498 2.499 10 40 FECB O=C1NCCCC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O 84504638 JOBMYDKBCKOWPV-INIZCTEOSA-N 357.410 2.366 10 40 FECB CCN1CCc2cc(CN3CCO[C@@H](C(=O)NC4CCCC4)C3)ccc21 249691991 MEKPDPRBLKRAFY-HXUWFJFHSA-N 357.498 2.329 10 40 FECB Cc1nccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 65551323 SXVHRJYCGBURQW-CHWSQXEVSA-N 358.417 2.468 10 40 FECB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 14132652 XPPOKZVMPROIJW-XYOKQWHBSA-N 367.317 2.275 10 40 FECB COC(=O)c1cc(OC)c(OC)c(OC)c1-n1c(C)cc(C(N)=O)c1C 6831254 WZKCELLUNKVGDJ-UHFFFAOYSA-N 362.382 2.005 10 40 FECB CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 35044188 HZYAFLIZAWTZIF-UVTDQMKNSA-N 353.334 2.455 10 40 FECB COc1ccc(/C=C2\SC(=S)N(CN3CCOCC3)C2=O)cc1 13398566 ONCTWZBSVVJKTM-UVTDQMKNSA-N 350.465 2.186 10 40 FECB Oc1ccccc1CN1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100120816 NTVUYYLINIMMOS-CRAIPNDOSA-N 352.438 2.281 10 40 FECB CCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1[N+](=O)[O-] 2403851 URHSLIDMVYVBDJ-GXDHUFHOSA-N 363.395 2.296 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408935895 FCGUHGZVMHJDHD-XNTDXEJSSA-N 367.317 2.270 10 40 FECB O=S(=O)(N[C@H]1NCCS1)c1ccc(/N=N\c2ncccc2O)cc1 104123726 UGHJODNJJJDKDI-MGPWXQLLSA-N 365.440 2.101 10 40 FECB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1F 408595092 VOXIHOAALSHKBD-RIYZIHGNSA-N 357.341 2.211 10 40 FECB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408804425 FWHPLXOEQNPJPA-NTEUORMPSA-N 367.317 2.270 10 40 FECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O 1225762 GGKLMKDQQJJQTQ-GXDHUFHOSA-N 352.346 2.457 10 40 FECB CN1CCc2cc([C@@H](CNC(=O)C3CCCC3)N3CCOCC3)ccc21 22733304 FOBBMXOIBVBDAX-HXUWFJFHSA-N 357.498 2.359 10 40 FECB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NN1CCOCC1 112119189 OYUHVGPWRYNUBB-LGMDPLHJSA-N 373.413 2.208 10 40 FECB CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccc[nH]3)C(=N)N12 2432216 NNONBCSMAKFAMX-GNPCJPGPSA-N 372.431 2.287 10 40 FECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1ccccc1F 408877024 SFKSRBYSXQCSGE-UHFFFAOYSA-N 354.337 2.175 10 40 FECB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2OC)C(=O)NC1=S 409390310 CJMGWRZMGUXPAD-RVDMUPIBSA-N 373.478 2.332 10 40 FECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCCCC2)N(C)C)cc1 5340402 WCFNTLLLYHVJMG-IBGZPJMESA-N 374.529 2.311 10 40 FECB Cc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)o1 5255013 NQONCEHOMBYPHI-GPHIBNKYSA-N 371.422 2.220 10 40 FECB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\NCCc1c[nH]cn1 4741488 NAVHBOOZAWCLDD-LCYFTJDESA-N 352.423 2.458 10 40 FECB COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cn1 225422528 UTRDLEAZRBKBID-UHFFFAOYSA-N 358.467 2.413 10 40 FECB CN(C)c1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1 4140911 OJAASMDSOBUELZ-UVTDQMKNSA-N 354.460 2.493 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccc(O)cc1 1744809 YYAZQORGWXMFGF-LCYFTJDESA-N 357.416 2.333 10 40 FECB CN(C)c1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2cccs2)C3)cc1 35590291 ILLKDQSOVHNGAI-QGZVFWFLSA-N 368.462 2.465 10 40 FECB Cc1cc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c(C)n1-c1ccccc1 3419806 SZSPIKLFIHYGJR-INIZCTEOSA-N 357.410 2.470 10 40 FECB CC[C@H](C)N1C(=O)/C(=C\Nc2cc(OC)ccc2OC)C(=O)NC1=S 9397390 BKUIQXQNHLKIHX-JMZICWNOSA-N 363.439 2.041 10 40 FECB O=C1NC(=S)S/C1=C\N1N=C(c2ccc(Cl)cc2)C[C@@H]1C(=O)O 256028234 ZMVPMSNKPZGYHA-CHPNCVJKSA-N 367.839 2.192 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1276915 LSNZFUJBLJCVRO-XNYAHFKXSA-N 352.393 2.358 10 40 FECB CCOC(=O)CCN1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 19946488 HGVKVIHFPIHSHG-PEZBUJJGSA-N 373.478 2.228 10 40 FECB O=C(CSc1ncn[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 4977184 GTLFHXXZFUYFTQ-UHFFFAOYSA-N 364.386 2.311 10 40 FECB CC[C@@H](C)N1C(=O)/C(=C/Nc2ccc(OC)cc2OC)C(=O)N=C1S 102557489 OVYZULXQLZEVAG-QSARLWQPSA-N 363.439 2.453 10 40 FECB CCN(CC)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 14094155 IDLJABDNRGYJLC-UHFFFAOYSA-N 363.483 2.266 10 40 FECB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(C)c3C)C2=O)cc1 4704795 JVSZDKSXTNPEED-LICLKQGHSA-N 366.421 2.482 10 40 FECB COc1ccc(N2CCN(CC(=O)Nc3ccnn3C(C)C)CC2)cc1 58338373 VGWMURLTPMFWFP-UHFFFAOYSA-N 357.458 2.233 10 40 FECB COc1ccc(N2CCN(CCCNc3nccc(OC)n3)CC2)cc1 12513395 QWFQKPCQIKOKIS-UHFFFAOYSA-N 357.458 2.118 10 40 FECB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 27530428 WGXWDQBAQSRVGP-TZZQWBKVSA-N 351.405 2.480 10 40 FECB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccc(S(N)(=O)=O)cc1 95470897 XCNYWHJJTFWULR-LFIBNONCSA-N 370.434 2.361 10 40 FECB CN1CCN([C@H](CNC(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)CC1 22417524 ICOKOONJAFZDFZ-GOSISDBHSA-N 361.534 2.139 10 40 FECB CN1CCN(C(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)CC1 95479941 GYYSJDKVJHTQMT-UHFFFAOYSA-N 373.412 2.102 10 40 FECB C[C@H]1CN(c2ccc(CNC(=O)c3ccc[nH]c3=O)cc2F)C[C@@H](C)O1 57372496 NKXMTZFUXCQUQT-BETUJISGSA-N 359.401 2.058 10 40 FECB COc1cccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)[C@H]4O)c1O 35585755 SKJBQIFBNOCULN-YPBFCJAHSA-N 366.461 2.349 10 40 FECB biogenic CCN(CC)CCCN/C=C1\C(=O)N(c2ccccc2F)C(=O)N=C1O 103102808 HGVFHSZYJOAYBF-SEYXRHQNSA-N 362.405 2.454 10 40 FECB Cc1c(C(=O)O)cccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 408837535 HZICDNYMWMYMAP-UHFFFAOYSA-N 368.345 2.387 10 40 FECB COCCc1ncc(CN2CCCN(c3ccc(OC)cc3)CC2)cn1 12148154 DRNZHVYVGQPFRN-UHFFFAOYSA-N 356.470 2.386 10 40 FECB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2O)C1=O 13639141 ZTGRUBZUEOVQBX-LCYFTJDESA-N 359.432 2.277 10 40 FECB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCOCC1 4263546 SZMGNSIESQMZNZ-ACCUITESSA-N 366.464 2.120 10 40 FECB CN1C(=O)/C(=C2/CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21 8765381 MCTFYCZEBPRQCH-VKAVYKQESA-N 362.341 2.078 10 40 FECB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(N2CCSCC2)cc1 54037595 WFCRXAVXLHQHJG-RHSMWYFYSA-N 361.511 2.018 10 40 FECB COC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 1205701 UWLMAXHLHODNRZ-KPKJPENVSA-N 353.421 2.078 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccncc1 16790750 FELQHSPQNOADJS-LCYFTJDESA-N 357.416 2.333 10 40 FECB COc1ccc(NS(=O)(=O)c2cccc3nsnc23)c([N+](=O)[O-])c1 16215646 GDAVYQIENDZWHY-UHFFFAOYSA-N 366.380 2.409 10 40 FECB O=C1NC(=S)N(Cc2ccccc2)C(=O)/C1=C/NCCc1ccccc1 1790834 BIDVUOCYCXPOBM-GHRIWEEISA-N 365.458 2.146 10 40 FECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)cc2)C1=O 409232820 SGLSLMKRCAJHMM-SDNWHVSQSA-N 352.346 2.457 10 40 FECB CCNc1nc(NCC)n2c(SCC(=O)c3cccs3)nnc2n1 4653685 QFQIYBIHWCBGPS-UHFFFAOYSA-N 363.472 2.419 10 40 FECB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1 29973079 ALGIEJQKCHIRRU-UHFFFAOYSA-N 362.451 2.326 10 40 FECB COc1ccc(N2CCN(CCC(=O)NC(C)(C)CC(C)=O)CC2)cc1 9470959 KJLQTAFYEQMYQG-UHFFFAOYSA-N 361.486 2.081 10 40 FECB CN(C)c1ccc(/C=C(\C(=O)NC[C@H]2CCCO2)n2ccccc2=O)cc1 85661276 PECUVURELXHIHY-XWALVKJWSA-N 367.449 2.208 10 40 FECB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 5006489 BVAGJMJLHXLYCC-RVDMUPIBSA-N 352.346 2.457 10 40 FECB COc1ccc(N2CCN(S(=O)(=O)c3ccccc3C=O)CC2)cc1 58244406 CNKCJSMMGGILNR-UHFFFAOYSA-N 360.435 2.019 10 40 FECB C[C@@H]1CN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CCO1 24529068 GKKTZVIAJAOIMJ-OAHLLOKOSA-N 370.449 2.239 10 40 FECB O=C(O)CN1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)SC1=S 3043984 GYRKFVYJMREVDM-SGAXSIHGSA-N 357.796 2.355 10 40 FECB CC(=O)N(C(C)=O)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 5726096 SYDOUBZNDWFWBM-GHXNOFRVSA-N 365.392 2.106 10 40 FECB CCC[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 16789990 MTRYWBAIIMGWGI-ZOAHYWAASA-N 362.432 2.463 10 40 FECB COc1ccccc1CNC(=O)Cc1c(C)c2ccc(O)c(O)c2oc1=O 4089893 RBLIDZSOEXTXHZ-UHFFFAOYSA-N 369.373 2.380 10 40 FECB biogenic Cc1ccc(NC[C@H](O)[C@H](O)[C@@H](O)CO)c(/N=N/c2ccccc2)c1C 13476174 BVMBLTCSAVCYFW-OQABLQHJSA-N 359.426 2.206 10 40 FECB Cc1cc(C)c2c(=O)nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2n1 8572927 RDMYXZLESVAHOO-UHFFFAOYSA-N 357.391 2.321 10 40 FECB CN1CCN(C2=NC(=O)/C(=C/c3cn[nH]c3-c3ccccc3)S2)CC1 20440246 HRKSMLLVHANNDW-PTNGSMBKSA-N 353.451 2.294 10 40 FECB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 32707991 IZCZHZNSDOWIGX-RAJVOEEQSA-N 371.823 2.469 10 40 FECB COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c4nonc34)CC2)cc1 5931109 DMBMQEZRQIKTGG-UHFFFAOYSA-N 355.354 2.466 10 40 FECB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc(F)c1 408595940 XYEHHMBLPFANIX-VIZOYTHASA-N 357.341 2.211 10 40 FECB O=C(O)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)CC1 2620228 RVKFZWUPIJAORF-UHFFFAOYSA-N 354.211 2.184 10 40 FECB CC[C@H](C)N1C(=O)/C(=C\NCCc2c[nH]c3ccccc23)C(=O)NC1=S 5884542 MQDRBRURLZVRRU-CMHHUMAZSA-N 370.478 2.226 10 40 FECB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1O 15013000 VOCYPJOMHFBTPA-JYRVWZFOSA-N 372.377 2.371 10 40 FECB Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 42078202 QSQOIHATUUYDGQ-UHFFFAOYSA-N 362.433 2.343 10 40 FECB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)o1 408914469 XYZGXOJNUSOSIF-MDWZMJQESA-N 370.386 2.210 10 40 FECB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(C)=O 6800771 PSISZANJWVQDOA-UHFFFAOYSA-N 364.379 2.183 10 40 FECB CC(=O)Nc1ccc(N2C(=O)C/C(=C\c3ccc(O)c(O)c3)C2=O)cc1 9481047 BCZUDJHKDZAEIZ-MDWZMJQESA-N 352.346 2.403 10 40 FECB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(F)cc1 408530576 JGLFMAVKFBSPTA-FOWTUZBSSA-N 353.353 2.443 10 40 FECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 2278272 IHSFPUXDLCDFJM-NTUHNPAUSA-N 354.293 2.221 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC(N)=O)cc1 9975458 NBVPDJXGQVJHFI-UHFFFAOYSA-N 368.437 2.286 10 40 FECB C[C@H]1CN(Cc2cc(O)c(CN3C[C@@H](C)O[C@H](C)C3)cc2O)C[C@@H](C)O1 12418028 YSJBHHZYQNLUMA-FPCVCCKLSA-N 364.486 2.316 10 40 FECB O=C1N[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Nc2ccccc21 4499099 TXXHLSNAHRBTHK-KRWDZBQOSA-N 354.366 2.286 10 40 FECB COCCN1C(=O)[C@@H](Cc2cc3c(cc2Cl)OCO3)SC1=S 8104699 PQRLBXOFIPMVRU-GFCCVEGCSA-N 359.856 2.487 10 40 FECB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 409021571 NWWZGIOMGPJCDK-UKTHLTGXSA-N 359.382 2.316 10 40 FECB Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=O)N(C)C(=O)N(C)C1=O 4660063 BMBZJTYOGICOPL-UHFFFAOYSA-N 358.785 2.268 10 40 FECB COc1ccc(N2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)cc1 7986810 GDWHDZRGLAZZAQ-LJQANCHMSA-N 366.417 2.126 10 40 FECB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NN1CCN(C)CC1 100423261 HVSFCHCYJQMHRG-CYVLTUHYSA-N 371.485 2.224 10 40 FECB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1 408917577 XQDSMYBPGUNOQF-GHXNOFRVSA-N 358.350 2.068 10 40 FECB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1O)C2 19496423 ITKMNHJKFJPIHE-CQSZACIVSA-N 354.454 2.413 10 40 FECB COc1ccc(N2CCN(C(=O)COc3cccc(OC)c3)CC2)cc1 44508896 LTNFSALIZADNOS-UHFFFAOYSA-N 356.422 2.431 10 40 FECB CN1CCc2cc([C@H](CNC(=O)c3ccccc3)N3CCOCC3)ccc21 22733524 PZVZZBNZSXWLMW-NRFANRHFSA-N 365.477 2.482 10 40 FECB COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc(OC)c1O 1800857 LIWMOTODMOVWHO-KSRYWAHESA-N 369.420 2.084 10 40 FECB CCCOc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O 2761069 SMLAXBAAQHWPEC-UHFFFAOYSA-N 369.240 2.152 10 40 FECB CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 4266520 UPCSEUOFNQLEBN-LUAWRHEFSA-N 360.464 2.347 10 40 FECB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CN1CCOCC1 13398571 QPZMEXFUHVAODJ-UKTHLTGXSA-N 365.436 2.086 10 40 FECB CN(C)c1ccc(CN(C(=O)c2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 4030191 WMALBCXDWQLYNG-MRXNPFEDSA-N 362.451 2.175 10 40 FECB COc1ccc(N2CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)CC2)cc1 5423189 QKVAWLUVSLSISH-LJQANCHMSA-N 365.433 2.219 10 40 FECB CCN(CC)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(C)=O)cc1 252444375 NJFBNNOIDTWVCK-OFQRWUPVSA-N 373.375 2.343 10 40 FECB CN1CCN([C@@H](CNC(=O)c2ccco2)c2ccc(N(C)C)cc2)CC1 22589316 BIKMJDHVVIHRGA-SFHVURJKSA-N 356.470 2.064 10 40 FECB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CN1CCOCC1 24716565 QPZMEXFUHVAODJ-LCYFTJDESA-N 365.436 2.086 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1O 1149693 OXPUWLGQWWZOBN-MDWZMJQESA-N 372.377 2.371 10 40 FECB C[C@@H]1CN(c2ccc(CNC(=O)c3ccc[nH]c3=O)cc2F)C[C@@H](C)O1 57372502 NKXMTZFUXCQUQT-CHWSQXEVSA-N 359.401 2.058 10 40 FECB COc1ccc(NC(=O)NCc2nnnn2-c2ccc(OC)cc2)cc1 9571356 DDIPWFIFJSGPLS-UHFFFAOYSA-N 354.370 2.001 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 40087830 KWANBOWIDGADBJ-QGZVFWFLSA-N 366.465 2.155 10 40 FECB COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 886162 GHBAXBPSQSZGHS-JYRVWZFOSA-N 366.329 2.090 10 40 FECB COCCn1c(C)cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 409193979 JNFMPVXDFFTCJJ-WJDWOHSUSA-N 359.426 2.156 10 40 FECB COc1ccc(N2CCN(C(=O)[C@H](NC(C)=O)C3CCCC3)CC2)cc1 53459817 ZFORTCLYURUTGJ-LJQANCHMSA-N 359.470 2.039 10 40 FECB Cc1cc(=O)oc2c(CN[C@]3(C)CCS(=O)(=O)C3)c(O)c(Cl)cc12 20648414 QCQPPTWLBLGWSH-MRXNPFEDSA-N 371.842 2.127 10 40 FECB Cc1ccc(Cn2nc(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 12809445 QTWDGDQUMOMFHQ-UHFFFAOYSA-N 366.421 2.290 10 40 FECB NC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 11643312 ZBQQJXIIUCEFSQ-ZDUSSCGKSA-N 360.439 2.016 10 40 FECB O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1O 95115926 RGTSSXAVNCVLNQ-QGZVFWFLSA-N 371.462 2.464 10 40 FECB CCOC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccc(O)c(O)c1 9970848 VDNXOUHMGHREFN-ZDUSSCGKSA-N 362.411 2.263 10 40 FECB CCOC(=O)c1cnn2c(O)cc(CN3CCc4sccc4C3)nc12 103246411 AKGQQTBMWHKVDT-UHFFFAOYSA-N 358.423 2.231 10 40 FECB O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Br)ccc1O 631579 FRFURELFSGGJTG-XYOKQWHBSA-N 369.240 2.457 10 40 FECB CC[C@H](C(=O)NCc1nnnn1-c1ccc(OC)cc1)c1ccccc1 17269133 KEDADGVOSXNFSW-KRWDZBQOSA-N 351.410 2.481 10 40 FECB NC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 11643316 ZBQQJXIIUCEFSQ-CYBMUJFWSA-N 360.439 2.016 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 408742648 XLADIBUCLMVEQC-XNTDXEJSSA-N 367.317 2.270 10 40 FECB O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1cccnc1 16755433 IHQOMANOKPVNPT-JYRVWZFOSA-N 357.416 2.333 10 40 FECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc(OC)c1O 4976553 CRCKWLVYOOEKTK-MKRLJBPISA-N 373.405 2.252 10 40 FECB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084696 LJJGIZYSBYAPCP-OVPUCLHSSA-N 355.423 2.455 10 40 FECB O=C(O)/C=C/c1ccc(O)c(O)c1/C(=C/c1ccc(O)c(O)c1)C(=O)O 40974130 OAHRXWZJURTMHG-OEKSYNDNSA-N 358.302 2.232 10 40 FECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 2210369 AVVSOOIRSXQVCX-UEUZTHOGSA-N 369.395 2.345 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1277093 WTWPZBSVPHVVBO-GHXNOFRVSA-N 353.421 2.165 10 40 FECB Cc1cc(/N=N/c2ccccc2)c(NC[C@@H](O)[C@@H](O)[C@H](O)CO)cc1C 4959820 NARUXRZZSJCXFJ-YRSDBSHPSA-N 359.426 2.206 10 40 FECB COc1ccc(C2=NN(CCO)C(=O)/C2=C\c2ccccc2C(=O)O)cc1 102411226 OGBJOOBANMFACM-ATVHPVEESA-N 366.373 2.016 10 40 FECB Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1-c1ccccc1 4245847 LIGFCQLBHAMVGD-UHFFFAOYSA-N 353.378 2.086 10 40 FECB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 100423077 UTQRNKZIQZMZCJ-ATVHPVEESA-N 370.434 2.443 10 40 FECB CCOC(=O)CCN1CCN(C2=NC(=O)/C(=C\c3ccccc3)S2)CC1 23109624 HGVKVIHFPIHSHG-JQIJEIRASA-N 373.478 2.228 10 40 FECB CN(C)CCCN/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 102695197 YASGTELZTWQTSN-RAXLEYEMSA-N 350.806 2.188 10 40 FECB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cn(C2CCC2)nn1)CC3 656612600 GWUFKLOZBVTVBH-FLIBITNWSA-N 363.377 2.356 10 40 FECB O=C1/C(=C/c2ccco2)SC(=S)N1NS(=O)(=O)c1ccccc1 1504404 IOELEJFIDPJYTP-XFXZXTDPSA-N 366.445 2.374 10 40 FECB COc1ccc(N2CCN(Cn3nnc(-c4ccccc4)n3)CC2)cc1 58165249 YEKSIIRUFGKAIZ-UHFFFAOYSA-N 350.426 2.128 10 40 FECB COc1ccc(-n2nnnc2CSc2nnc3nc(C)cc(C)n23)cc1 15083057 GTVBLORTXCXULD-UHFFFAOYSA-N 368.426 2.018 10 40 FECB Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@H]2c1ccc(N(C)C)cc1 9265120 XYAFPPQWMUZFRE-GOSISDBHSA-N 366.469 2.432 10 40 FECB COc1ccc(CN2CCc3nc4ccccc4c(=O)n3CC2)c(O)c1 19551844 AZXQISPECCYNMO-UHFFFAOYSA-N 351.406 2.169 10 40 FECB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(C)c3C)C(=O)NC2=S)cc1 13549430 JVSRMEHTIVYPMT-YBEGLDIGSA-N 369.446 2.482 10 40 FECB CN(C)CCOC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 5376070 MCBJBGXPTSJMHM-DHZHZOJOSA-N 356.494 2.054 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 408811350 VIVRUIWNUMVABI-NTEUORMPSA-N 368.345 2.076 10 40 FECB COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 100104496 BKIGIXBTMIPWLZ-VAWYXSNFSA-N 367.361 2.283 10 40 FECB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 408917223 PINXLZFTXHUZAU-WEVVVXLNSA-N 354.815 2.004 10 40 FECB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 9260065 YPPPNLQKNRUVTQ-LZYBPNLTSA-N 371.368 2.299 10 40 FECB COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 84647502 WISIXYLAKNCQOF-GDKCJGSASA-N 350.440 2.032 10 40 FECB CCOc1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 27533533 URHKBTUAHUPKHY-FMIVXFBMSA-N 373.477 2.174 10 40 FECB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 6080699 KKDNBOWDHVMEJU-SZUMLMDFSA-N 353.421 2.465 10 40 FECB O=C1c2ccccc2C(=O)c2c1cc(N1CCOCC1)c1nsnc21 4154701 HTMGTMPTISIEEQ-UHFFFAOYSA-N 351.387 2.303 10 40 FECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(N(C)C)cc1 14009641 UQPKUFIQGLBPFN-LGMDPLHJSA-N 358.438 2.462 10 40 FECB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OC 16406209 UEXYGYHNWVFPHF-UHFFFAOYSA-N 352.774 2.181 10 40 FECB O=C(NCc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc2cnccc12 48761389 KHJVIDYRFXGNEZ-UHFFFAOYSA-N 366.333 2.104 10 40 FECB COC(=O)C[C@H]1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 219781226 SWBPOSZDPHMPHI-CYBMUJFWSA-N 369.464 2.038 10 40 FECB CCc1nnc(S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)O)[nH]1 7342622 MBUDXRUMGWUAGL-SDNWHVSQSA-N 360.439 2.422 10 40 FECB CCCc1c(COC)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O 22448531 GCPBZRDZOHFOFP-UHFFFAOYSA-N 372.469 2.204 10 40 FECB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cccc([N+](=O)[O-])c2)C1=O 408530522 JBLMNGSHUFWPEI-GXDHUFHOSA-N 366.333 2.482 10 40 FECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1 3208894 IXHLBDPSFLWTFZ-UHFFFAOYSA-N 352.346 2.024 10 40 FECB C#CCOc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35088241 PTPBWEISULUZHZ-AQTBWJFISA-N 361.401 2.226 10 40 FECB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccn2C)SC1=S 2401954 HPHYVEJFFVYTJV-UBYNWHESSA-N 356.494 2.433 10 40 FECB CC(=O)[C@@H](/N=N\c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C 104124473 XJQZLLRNUMTZNK-MODMUFLJSA-N 374.422 2.322 10 40 FECB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(OC)c1O 9109794 MOHSTXXHCFRVMG-MDWZMJQESA-N 374.393 2.204 10 40 FECB CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc2c(cc1O)OCO2 14248698 FGHJRHTWWJLZEK-UHFFFAOYSA-N 360.385 2.398 10 40 FECB CCc1c(C)nc2ncnn2c1N1CCN(c2ccc(OC)cc2)CC1 1326166 WIILMEZITNUHCV-UHFFFAOYSA-N 352.442 2.330 10 40 FECB COc1ccc(N2CCN(CCS(=O)(=O)c3ccccc3)CC2)cc1 57449451 FKVYZRYWJBWYNB-UHFFFAOYSA-N 360.479 2.291 10 40 FECB Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)N1CCOCC1)OCO2 19909783 BJEIGUUUOWFEKX-LJQANCHMSA-N 357.362 2.271 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccccc1[N+](=O)[O-] 5552850 HOOZALVNXIVCHI-WQLSENKSSA-N 374.403 2.469 10 40 FECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 2430317 OXDIHLMKSUYKGI-HWPCKVLBSA-N 357.434 2.267 10 40 FECB CCCCN1C(=O)NC(=O)/C(=C/NCCc2c[nH]c3ccccc23)C1=O 6072978 XGZZFBYIOJQILD-QINSGFPZSA-N 354.410 2.062 10 40 FECB O=C(CCN1CCOCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 19374859 XNOQIPGGQCGNSH-UHFFFAOYSA-N 364.401 2.123 10 40 FECB Cc1ccc(N2C(=O)N=C(O)/C(=C/N[C@@H]3CCCC[C@H]3N)C2=O)cc1C 254348216 BDFQXPYRPSFJAS-LDXCAOIPSA-N 356.426 2.470 10 40 FECB O=C(NCCO)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 199407598 OKQWGHLHMVPNOH-KRWDZBQOSA-N 360.841 2.081 10 40 FECB O=C1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc3c2N1CC3 5153479 PFQPRWHOFACCJJ-UHFFFAOYSA-N 372.402 2.051 10 40 FECB CNC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 54360723 OFYNMGXTLZMYIC-RAXLEYEMSA-N 350.465 2.423 10 40 FECB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NN1CCOCC1 103916620 PEAYNPPBNSXIAL-PTNGSMBKSA-N 357.439 2.130 10 40 FECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(Br)o1 13660241 ZGMBYGVZIKUKEF-POHAHGRESA-N 365.139 2.297 10 40 FECB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(N2CCSCC2)cc1 54037597 WFCRXAVXLHQHJG-WMLDXEAASA-N 361.511 2.018 10 40 FECB Cn1cc(C(=O)NC2CCN(Cc3cc4c(cc3O)CCC4)CC2)cn1 54520639 AXIUBBYEQUPSKZ-UHFFFAOYSA-N 354.454 2.009 10 40 FECB CCc1cc(=O)oc2c(CNCCN3CCOCC3)c(O)c(Cl)cc12 20573660 YAZHZCHYIVBVFR-UHFFFAOYSA-N 366.845 2.136 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1F 12543840 YZIQCQWIDQIKQP-UHFFFAOYSA-N 364.442 2.483 10 40 FECB CCOC(=O)c1cnc2c(/N=N/c3cccc(OC)c3)c(N)nn2c1N 97944952 LVVZCABWPGGNND-QZQOTICOSA-N 355.358 2.494 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C/NNc3cccc(C)c3)C2=O)cc1 408535663 UEBLCZDOCJQXHM-WJDWOHSUSA-N 366.377 2.087 10 40 FECB CN(C)c1ccc(/C=C(\C(=O)NC[C@@H]2CCCO2)n2ccccc2=O)cc1 85661272 PECUVURELXHIHY-OGBKAESYSA-N 367.449 2.208 10 40 FECB COc1ccc(N2CCCN(C(=O)c3cnc4c(c3)ncn4C)CC2)cc1 95996846 NVBGPPOTHQEBCX-UHFFFAOYSA-N 365.437 2.329 10 40 FECB O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccc(Br)cc1 5569998 WGJROMRFHBMLAG-UHFFFAOYSA-N 372.240 2.381 10 40 FECB O=C(O)c1ccc(F)c(NS(=O)(=O)c2cccc3nsnc23)c1 19079411 BQFDBARNJLMOLX-UHFFFAOYSA-N 353.356 2.329 10 40 FECB CCN1CCN(C2=NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)CC1 19842489 VEHGVJOOAMNQMB-WJDWOHSUSA-N 361.467 2.312 10 40 FECB O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2ccc(O)c(C(=O)O)c2)o1 20064359 QGTSDTDAIMYNJH-UHFFFAOYSA-N 358.331 2.105 10 40 FECB O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] 66323135 RNEFAAMGFOLZLT-UONOGXRCSA-N 373.331 2.335 10 40 FECB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 16729271 RCVRAZZKFIFUFA-ZWIPKHHJSA-N 357.453 2.214 10 40 FECB CN1CCN([C@@H](CNC(=O)c2ccccc2)c2ccc(N(C)C)cc2)CC1 22589273 FFHYIVIZLWPJIZ-NRFANRHFSA-N 366.509 2.471 10 40 FECB COc1ccc2c3c(n(CCO)c(=O)c2c1OC)-c1ccccc1C3=O 604404263 MHVUJSNRZIEATB-UHFFFAOYSA-N 351.358 2.222 10 40 FECB biogenic CC[C@@H](C)N1C(=O)/C(=C\Nc2cc(OC)ccc2OC)C(=O)NC1=S 9397389 BKUIQXQNHLKIHX-WJEYQPDNSA-N 363.439 2.041 10 40 FECB O=C(CCC(=O)N1CCc2sccc2C1)NCCc1ccc(O)c(O)c1 95426751 RGRINUIAXBDEEK-UHFFFAOYSA-N 374.462 2.183 10 40 FECB O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1CCN1CCOCC1 96935894 XAVLELMJRGZYHD-NTEUORMPSA-N 370.446 2.498 10 40 FECB Oc1ccccc1CNC1(Cc2cc(CN3CCCCC3)on2)COC1 67898432 IRGIFADJJVJODS-UHFFFAOYSA-N 357.454 2.467 10 40 FECB biogenic,in-vitro O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccccc1O 2259236 UMYKVVUPUJELQM-LCYFTJDESA-N 357.416 2.333 10 40 FECB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 5661381 MUPJEZMTXSUUBN-ZSOIEALJSA-N 366.329 2.090 10 40 FECB COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCc1ccccc1 408892741 CCXZDWIISCVWTR-UHFFFAOYSA-N 352.346 2.024 10 40 FECB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CCN1CCOCC1 12897926 SHIVQYIOADXXPK-KAMYIIQDSA-N 352.456 2.359 10 40 FECB CCOc1cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc(Cl)c1OC 409390597 FPMKPBVJGVOROU-UXBLZVDNSA-N 368.842 2.394 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(O)c1 408886172 DVMBIXQPGVJPHQ-NTEUORMPSA-N 352.346 2.376 10 40 FECB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc1OC 409393267 WQLIUBOURVTSDM-UXBLZVDNSA-N 368.842 2.394 10 40 FECB COc1cc(C2=N/C(=C/c3cccc(O)c3O)C(=O)O2)cc(OC)c1OC 1571909 NYFWYNDZUZFYEX-KPKJPENVSA-N 371.345 2.468 10 40 FECB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCNS(C)(=O)=O)c1 29683862 IWSFHEJRLFJAJT-UHFFFAOYSA-N 369.874 2.027 10 40 FECB COc1ccccc1N1C(=O)/C(=C/NN2CCCCC2)C(O)=NC1=S 34236551 BCOCAYKFUYQENA-VAWYXSNFSA-N 360.439 2.158 10 40 FECB O=C(O)c1csc(N2N=C(c3ccccc3O)C[C@]2(O)C(F)(F)F)n1 5243383 TYKQXPJAQZRLBQ-ZDUSSCGKSA-N 373.312 2.412 10 40 FECB CC(C)c1ccc(N2C(=O)/C(=C\NCCN(C)C)C(=O)N=C2S)cc1 103224916 BHDVNNODYPWUAQ-PTNGSMBKSA-N 360.483 2.004 10 40 FECB COCCN1C(=O)/C(=C/c2ccc(O)cc2)C(=O)N(c2ccccc2)C1=O 409010720 DFKJMDGANSSBMO-LGMDPLHJSA-N 366.373 2.417 10 40 FECB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1Cc1ccccc1 408593082 OVMRNZYAUAACFJ-CXUHLZMHSA-N 353.378 2.131 10 40 FECB CN(C)c1ccc(CNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 12534142 LUHSNXHWANVOET-UHFFFAOYSA-N 372.469 2.014 10 40 FECB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NCc1cccnc1 6423852 GIPWOJMWKWMDPY-DTQAZKPQSA-N 370.478 2.189 10 40 FECB COc1cc(/C=C2/C(=O)N(c3nc(C)cc(=O)[nH]3)N=C2C)cc(Cl)c1O 8462296 JZLRSZLIXVCUCV-VZUCSPMQSA-N 374.784 2.252 10 40 FECB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1ccc(Cl)cc1 101645799 UZDFGHJGFGYXLD-MDWZMJQESA-N 353.773 2.496 10 40 FECB CN(C)CCOC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 5376091 KRVJWUMQEXMFPN-ACCUITESSA-N 368.480 2.366 10 40 FECB COc1ccc(/C=C/C(=O)OCC(=O)Cc2ccc(O)c(O)c2)cc1O 13396837 BZBZUGSXRITWQR-QPJJXVBHSA-N 358.346 2.180 10 40 FECB biogenic,in-vitro O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/N1CCCc2ccccc21 32110854 WHRXWBIVBWSNJE-NTCAYCPXSA-N 351.362 2.195 10 40 FECB COc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1OC 14671678 YFZZDFALGOBYBL-OTIXFSKASA-N 353.421 2.378 10 40 FECB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O 408931940 ABMODFCRAZONMK-RVDMUPIBSA-N 355.419 2.348 10 40 FECB CCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O 107784042 OJEFGWAOLWDZEL-UHFFFAOYSA-N 367.199 2.377 10 40 FECB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 54285018 QQOOFGJVYSXCTJ-UHFFFAOYSA-N 354.406 2.224 10 40 FECB CC1CCN(c2ccc(CNC(=O)c3nc4ncccn4n3)cc2)CC1 36618717 QUGHOSITOLUICU-UHFFFAOYSA-N 350.426 2.291 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1277071 CPZVULYMQNIWLX-XFFZJAGNSA-N 352.393 2.359 10 40 FECB COc1ccc(N2CCN(C(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)CC2)cc1 100260313 HAWNZINVYJBXJB-NHCUHLMSSA-N 372.465 2.466 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 36448986 YHVITPXEPRJNFJ-UHFFFAOYSA-N 371.393 2.409 10 40 FECB COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1 113832597 VXGZQYICAZZAIE-UHFFFAOYSA-N 355.419 2.017 10 40 FECB COc1ccc(N2C(=O)/C(=C/Nc3cccc(N)c3)C(=O)NC2=S)cc1 18206055 ZADVNOWIKIHMGP-XNTDXEJSSA-N 368.418 2.021 10 40 FECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4859636 IHSFPUXDLCDFJM-QPEQYQDCSA-N 354.293 2.221 10 40 FECB COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1cc(O)c(O)cc1O 16740693 GRKUABFXPCAFCK-HNNXBMFYSA-N 360.318 2.305 10 40 FECB COc1ccc(-n2nnnc2CNC(=O)CSCc2ccccc2)cc1 16955099 LIKNAGGSTMUYNB-UHFFFAOYSA-N 369.450 2.221 10 40 FECB COc1cc(NS(=O)(=O)c2ccccc2F)ccc1NS(C)(=O)=O 32088212 OINZTGMGXLXMMK-UHFFFAOYSA-N 374.415 2.007 10 40 FECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)=O 5475186 WJGGHXCBCXIJOR-WJDWOHSUSA-N 366.373 2.472 10 40 FECB OCCN1CCN([C@H](c2ccccn2)c2ccc3cccnc3c2O)CC1 22460692 PBSWDNIKKDFPMH-FQEVSTJZSA-N 364.449 2.035 10 40 FECB CCOC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 1277149 RLJSSSWMUOEMAC-WQLSENKSSA-N 365.432 2.238 10 40 FECB COc1cccc([C@@H](NC2=NCCC=N2)c2cc3c(cc2O)OCO3)c1O 5956777 KJVXAPMCCRGFHA-QGZVFWFLSA-N 369.377 2.345 10 40 FECB CCc1noc(C)c1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 55916637 GYBVLWJGSLGSGE-OAHLLOKOSA-N 370.453 2.177 10 40 FECB CC[C@H](C)N1C(=O)/C(=C/Nc2ccc(OC)cc2OC)C(=O)N=C1S 102557492 OVYZULXQLZEVAG-LZAIMSLLSA-N 363.439 2.453 10 40 FECB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/N[C@@H]2CCCC[C@@H]2N)C1=O 103127025 MHVFYFGGOMWTBX-BFPJXGRPSA-N 372.425 2.252 10 40 FECB COc1cccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 54285543 YZWWHTDUGWWECM-UHFFFAOYSA-N 356.422 2.227 10 40 FECB CN1C(=O)/C(=C/Nc2ccc(CN3CCCCC3)cc2)C(=O)N=C1S 9244388 FCGJNNWZDRXEIS-RVDMUPIBSA-N 358.467 2.253 10 40 FECB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 4357057 IZCZHZNSDOWIGX-JRZFIGEHSA-N 371.823 2.469 10 40 FECB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 9262239 IULYMLMOKWSZLT-HZPDHXFCSA-N 367.361 2.168 10 40 FECB COc1ccc(OC)c2c1CN(Cc1cc3c(cc1O)OCO3)C[C@@H]2O 29543387 PCFPQZSIQOTPGE-AWEZNQCLSA-N 359.378 2.187 10 40 FECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408996623 JJHKPJKLORYXHZ-PTNGSMBKSA-N 360.366 2.304 10 40 FECB O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1CCN1CCOCC1 96935901 WWFOHEDQWJWXFR-GXDHUFHOSA-N 370.446 2.498 10 40 FECB CC(=O)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34765451 BYQLPDSLAFRFIZ-BOPFTXTBSA-N 365.389 2.139 10 40 FECB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccnc2)SC1=S 1773869 MKMMEPPSXJNVIE-PAKSIRSJSA-N 354.478 2.489 10 40 FECB CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409392662 NDOCEYCPYHWTBR-GOZVUGRMSA-N 362.389 2.370 10 40 FECB COC(=O)C(C(=O)OC)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 3845379 WJWBHLFHBRMVHO-UHFFFAOYSA-N 370.449 2.451 10 40 FECB biogenic CCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br 19871592 IJTPRLAGVBGJGV-UHFFFAOYSA-N 369.240 2.152 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(F)cc3)C2=O)cc1 102895991 AEAAUXIBQWKFQR-XNTDXEJSSA-N 355.325 2.413 10 40 FECB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(C(=O)OC)=C1C 6950732 AGFUZUQAXMARCF-RAXLEYEMSA-N 361.394 2.405 10 40 FECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 2329383 JKZNDTLNXHXHKA-VKTVZRHZSA-N 367.404 2.355 10 40 FECB COc1ccc(-n2nnnc2CNC(=O)Cc2ccc(Cl)cc2)cc1 16955105 JYSXMMQTAGCQOC-UHFFFAOYSA-N 357.801 2.183 10 40 FECB CCc1ccc(N2C[C@H](C(=O)NCCc3ccc(O)c(O)c3)CC2=O)cc1 83823697 BGUIKMBLKARHJY-MRXNPFEDSA-N 368.433 2.372 10 40 FECB O=C1N=C(N2CCN(CCO)CC2)S/C1=C/c1cccc2ccccc12 20289585 BHJLGXNSQRAQAF-NBVRZTHBSA-N 367.474 2.420 10 40 FECB O=C(Cc1cnn(-c2ccccc2)c1)NCc1cc([N+](=O)[O-])ccc1O 32899930 PMXVNKWNXVYVFY-UHFFFAOYSA-N 352.350 2.345 10 40 FECB Cn1cnnc1-c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 32833634 VQLSVZQCJRAMAX-UHFFFAOYSA-N 372.435 2.288 10 40 FECB CCc1ccc(N2C(=O)/C(=C\Nc3cccnc3)C(=O)NC2=S)cc1 100992585 UENRWLXJUWVIOB-PTNGSMBKSA-N 352.419 2.388 10 40 FECB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 4357088 WGXWDQBAQSRVGP-TXEUWIOXSA-N 351.405 2.480 10 40 FECB COc1ccc(O)c(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 12142875 PVQRKYAIENTTFA-UHFFFAOYSA-N 364.405 2.104 10 40 FECB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccnn1C(C)C 14187108 GMTYYCOUIAJUJW-UHFFFAOYSA-N 369.425 2.305 10 40 FECB Cc1ccc(N2C(=O)N=C(O)/C(=C/NCCN3CCCCC3)C2=O)cc1 19949853 ZHUWQXRVXTXZQI-SSZFMOIBSA-N 356.426 2.378 10 40 FECB C/C(NC#N)=C1/C(=O)[N@@H+](c2nc3ccccc3s2)N=C1c1ccccc1 667895750 QCBMSCWWNKFBBG-VBKFSLOCSA-O 360.422 2.102 10 40 FECB COC(=O)CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 28048179 PHYVBVOYMYVMRF-FLIBITNWSA-N 352.393 2.359 10 40 FECB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)NC2=O)c1C 6371361 GLFGUNRWWFKULM-NTUHNPAUSA-N 356.338 2.191 10 40 FECB COc1cccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c1O 28617147 DFFOLXUPFKVRIT-GOSISDBHSA-N 359.378 2.257 10 40 FECB O=c1cc(CN2CCN(c3ccccc3O)CC2)c2cc(O)c(O)cc2o1 57911484 SAMSAHLNEKLYRX-UHFFFAOYSA-N 368.389 2.232 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC(=O)c3ccccc3)C2=O)cc1C 408538760 QIZOITMRZOIQAU-LFIBNONCSA-N 363.373 2.200 10 40 FECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3)nnc2n1 624200 LIGWQMUAAZGCGR-UHFFFAOYSA-N 372.458 2.114 10 40 FECB CN1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S 51330826 ZAENCNWVWXJNDF-MLPAPPSSSA-N 360.416 2.130 10 40 FECB CCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OCC(=O)O 4739750 UIMBCUHFSRHPJZ-YRNVUSSQSA-N 353.421 2.380 10 40 FECB Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1C(=O)c1cccnc1 68602569 XJMIRWYJCIHGRD-VHEBQXMUSA-N 353.298 2.166 10 40 FECB COc1ccc(/C=C2/SC(=S)N(CN3CCOCC3)C2=O)cc1 24716558 ONCTWZBSVVJKTM-GXDHUFHOSA-N 350.465 2.186 10 40 FECB CCN(/C=C1\SC(=S)N(C2CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 30819375 FIUXBXGMBFMGSQ-FNWMBBJUSA-N 374.553 2.140 10 40 FECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(Cl)c1 101468967 CBLMOFNORYMQEE-SJWLEHQBSA-N 353.831 2.041 10 40 FECB CS/C(=C/c1ccc2ccccc2[n+]1C)N1CCN(CCCO)CC1 17174985 XDYWKQMBCXHYQV-UHFFFAOYSA-N 358.531 2.326 10 40 FECB CN(Cc1ccc(N2CCOCC2)cc1)Cn1c(=O)n(C)c2ccccc21 12542771 FJLAPKFCJDULDR-UHFFFAOYSA-N 366.465 2.266 10 40 FECB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccncc1 2378613 XCEWNDQUGDHZOM-UHFFFAOYSA-N 354.435 2.088 10 40 FECB CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)NC1=S 409391701 KVEDVHHIGLLSTO-UKTHLTGXSA-N 370.386 2.291 10 40 FECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1 5061790 NFCVKPXBKXLFJK-GXDHUFHOSA-N 352.306 2.174 10 40 FECB COc1ccc(N(CCC(N)=O)Cc2nc(N)c3ccccc3n2)cc1 8723728 AONNKYFVBPWAQI-UHFFFAOYSA-N 351.410 2.103 10 40 FECB COc1cc(NC=C2C(=O)OC(C)(C)OC2=O)c2ncccc2c1[N+](=O)[O-] 102427146 PKDXJYJVURWRNK-UHFFFAOYSA-N 373.321 2.284 10 40 FECB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1773307 HHZNREZBHSAEEX-SIWUQKNHSA-N 363.416 2.372 10 40 FECB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccc(O)cc1 13228307 ILWSNPDFWBHNRH-LCYFTJDESA-N 357.416 2.333 10 40 FECB Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1C 63249995 IKXNIKXJCNCBKP-MRXNPFEDSA-N 369.465 2.380 10 40 FECB CCC[C@H](C(=O)Nc1cc(C)on1)N(CCC(N)=O)c1ccc(OC)cc1 9221375 FWPGTDINPDOXAZ-MRXNPFEDSA-N 374.441 2.481 10 40 FECB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccccc3)cc2)CC1 32956470 NNRMBACYOWDWRZ-UHFFFAOYSA-N 353.422 2.373 10 40 FECB CN(C)c1ccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1 19584981 NHYMEVJLQZDARQ-UHFFFAOYSA-N 361.449 2.456 10 40 FECB O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(O)cc3)cc3cccc1c23 1926398 PTCMYGJBQJPGJT-UHFFFAOYSA-N 368.370 2.230 10 40 FECB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 2364995 LJSWEIZYRIMCAN-PDGQHHTCSA-N 366.421 2.111 10 40 FECB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)NC(=O)N1 3844200 JEHXXIAHQCQTAS-QGZVFWFLSA-N 354.362 2.469 10 40 FECB biogenic CCOc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OC(F)F 32751835 IOOMGLPMHILDFX-UHFFFAOYSA-N 354.309 2.121 10 40 FECB CN1C(=O)C(=CNc2ccc(Cc3ccncc3)cc2)C(=O)N(C)C1=O 17440260 QCHIHNHSYRCFHU-UHFFFAOYSA-N 350.378 2.019 10 40 FECB COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 84647496 WISIXYLAKNCQOF-SVKFGRERSA-N 350.440 2.032 10 40 FECB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O 5215943 ZYYCRNUYZNUYQY-LCYFTJDESA-N 359.432 2.277 10 40 FECB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(C)C3=O)c2C)cc1 5701843 ZNNFGOXWLMUKRJ-UHFFFAOYSA-N 353.378 2.006 10 40 FECB COc1ccc(N2CCC[C@]3(CN(Cc4cnn(C)c4)CCO3)C2)cc1 96226307 UMPGSHLQEKNTDR-FQEVSTJZSA-N 356.470 2.300 10 40 FECB Cn1c(=O)c(C2=NNC(=O)/C2=C\Cc2ccccc2)c(O)c2ccccc21 100353692 WFDWKJUJNRXUFH-QINSGFPZSA-N 359.385 2.247 10 40 FECB COc1cccc(-n2c(C)cc(C(=O)O[C@H]3CCS(=O)(=O)C3)c2C)c1 58431109 HXGHILWYSPQWAV-INIZCTEOSA-N 363.435 2.447 10 40 FECB CCN1C(=O)C(=CN[C@@H](C)CCc2ccccc2)C(=O)N(CC)C1=S 8484621 ZYBRRYSREQMYHE-AWEZNQCLSA-N 359.495 2.477 10 40 FECB CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S 408917179 OIZBRNMRPJVTMF-WQLSENKSSA-N 357.347 2.111 10 40 FECB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1 13659472 IUWZDABDTAUMTC-WJDWOHSUSA-N 356.407 2.053 10 40 FECB Cc1ccc(C(C)C)c(O)c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 95996988 KFQJKFVOCPFHGZ-MRXNPFEDSA-N 366.527 2.129 10 40 FECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1C(=O)O 408996971 FSHAKPZWGZZMDA-PTNGSMBKSA-N 359.378 2.094 10 40 FECB COc1ccc(CN2CC[C@@H](CO)N(C)c3nc(C)ccc3C2)c(O)c1 225494033 MHTNWKCJHGUEMB-KRWDZBQOSA-N 357.454 2.307 10 40 FECB biogenic,in-vitro COc1cccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1O 13350290 IZLFXYBPNSYJFI-FLIBITNWSA-N 353.421 2.467 10 40 FECB CCCCN1C(=O)/C(=C\Nc2ccc(NC(C)=O)cc2)C(=O)N=C1S 102531596 IKBLRTUNLWFWFD-UVTDQMKNSA-N 360.439 2.396 10 40 FECB COc1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O 19362863 WVDHLLAOMRUCES-UHFFFAOYSA-N 356.422 2.447 10 40 FECB Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\N(C)C)C2=O)c1C 408529075 GWNCYUYMINEPQG-JXMROGBWSA-N 366.215 2.094 10 40 FECB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 100990626 KNZDJKLFFSHILE-LJQANCHMSA-N 365.433 2.149 10 40 FECB CN(C)c1ccc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 10272729 STAAKPGJYYPIBX-UHFFFAOYSA-N 373.478 2.223 10 40 FECB COc1ccc(N2CCN(C(=O)COc3ccc4c(c3)OCO4)CC2)cc1 7255933 ACUYYJFENXMHSQ-UHFFFAOYSA-N 370.405 2.152 10 40 FECB COc1cc(/C=C2\CC(=O)N(CCc3ccccc3)C2=O)cc(O)c1O 70666655 JTFPJIKOWBAXFX-OQLLNIDSSA-N 353.374 2.491 10 40 FECB biogenic O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c([N+](=O)[O-])ccc(Cl)c21 4783232 RVMPQLJDPQYASO-UHFFFAOYSA-N 367.722 2.270 10 40 FECB O=C1/C(=C\NCCCO)C(C(F)(F)F)=NN1c1nc2ccccc2s1 103529360 AXVAKOHLRFQKOH-HJWRWDBZSA-N 370.356 2.417 10 40 FECB CN1C(=O)C(=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)N(C)C1=O 408832507 XIOWOPBUANGSRV-UHFFFAOYSA-N 373.296 2.428 10 40 FECB O=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3C(=O)O)o2)C(=O)N1 4553096 NNPONVVAVNZUGD-UHFFFAOYSA-N 360.709 2.048 10 40 FECB COc1ccc(N2CCN(C(=O)CN3CCc4ccccc43)CC2)cc1 6587157 OSVJFIXAWPQEBQ-UHFFFAOYSA-N 351.450 2.407 10 40 FECB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)c2cc(S(N)(=O)=O)ccc21 96234495 HGLQAPUBRTVHCN-BOPFTXTBSA-N 371.462 2.307 10 40 FECB Cc1ccnc(N[C@@H](c2ccccc2O)c2oc(CO)cc(=O)c2O)c1 945134 FHXJAOWZPUKPTO-KRWDZBQOSA-N 354.362 2.448 10 40 FECB Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2C3=O)o1 8508915 BLTZWIKWZPCUEZ-UHFFFAOYSA-N 373.368 2.412 10 40 FECB CN1C(=O)C(=CNc2ccccc2C(=O)c2ccccc2)C(=O)N(C)C1=O 2710350 DXYFPISNLJOUBH-UHFFFAOYSA-N 363.373 2.264 10 40 FECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCCn1ccnc1 100149219 GZVGQOJCEGKQIT-LFIBNONCSA-N 354.370 2.078 10 40 FECB Fc1cc(CNCc2cnc(N3CCCC3)nc2)ccc1N1CCOCC1 48748819 VBDDSCCLUSYWFZ-UHFFFAOYSA-N 371.460 2.342 10 40 FECB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCO)cc1 4736936 VGWSTCQMALHWLF-AQTBWJFISA-N 369.396 2.441 10 40 FECB CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nnc2n1CCCCC2 45607568 UYAMYHJHGYHRES-UHFFFAOYSA-N 370.501 2.455 10 40 FECB COC(=O)c1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)cc1 1277051 GYDLRHKPTZOFAR-ZPBHHCQCSA-N 365.432 2.236 10 40 FECB Cc1cccc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c1 27530388 UCEWHKKMNHWVOP-VUUNSECVSA-N 351.405 2.124 10 40 FECB COc1cccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c1O 28617149 DFFOLXUPFKVRIT-SFHVURJKSA-N 359.378 2.257 10 40 FECB O=C1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CCN1 42078355 QASHKRODPJHFLA-RBUKOAKNSA-N 367.424 2.182 10 40 FECB COc1ccc(-c2csc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)n2)cc1 8511914 PEZBLZGQAMBLPT-UHFFFAOYSA-N 372.406 2.165 10 40 FECB Cc1ccc(N/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc1 100261053 URZNMKCXZBCOMF-PTNGSMBKSA-N 374.400 2.382 10 40 FECB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N=C2O)o1 4704626 AWUCTWQRYYXBKR-UHFFFAOYSA-N 357.278 2.453 10 40 FECB CCOc1cccc(CN2CCC(C(=O)N[C@@H](C)COC)CC2)c1O 199402798 YTUAUHIMPWSSFF-AWEZNQCLSA-N 350.459 2.154 10 40 FECB Cc1cccc(N2C(=O)/C(=C\NCCN3CCCCC3)C(=O)N=C2S)c1 103104909 IHWFFNNBGVYLPU-SSZFMOIBSA-N 372.494 2.113 10 40 FECB COc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 89662298 LWBFPNDQZKTBGC-UHFFFAOYSA-N 352.431 2.462 10 40 FECB O=C(CN1CCOCC1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 20624371 GTVAQMXLEWJLEN-MRXNPFEDSA-N 371.462 2.464 10 40 FECB C[C@@H]1NC(=S)N(Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O 55179469 SHSXMWGGUWDXIG-JTQLQIEISA-N 373.400 2.147 10 40 FECB CCOCCCNC(=O)C1CCN(Cc2cccc(OC)c2O)CC1 6350670 YIDDGCXISDGOQD-UHFFFAOYSA-N 350.459 2.156 10 40 FECB O=C(N1CCOCC1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 14302151 GHCYQNDLTUEOJC-UHFFFAOYSA-N 355.438 2.115 10 40 FECB COCCN1C(=O)/C(=C\c2cccc(OC)c2OC)C(C(=O)OC)=C1C 2058409 HBNBYZKVCPLAPD-KAMYIIQDSA-N 361.394 2.023 10 40 FECB CCOc1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)ccc1O 13815102 IPLCOYXVSNKWPT-UVTDQMKNSA-N 366.464 2.239 10 40 FECB COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc(OC)c1O 1800859 LIWMOTODMOVWHO-KLDHPSGWSA-N 369.420 2.084 10 40 FECB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccn2C)SC1=S 2401953 HPHYVEJFFVYTJV-MXBGMFSPSA-N 356.494 2.433 10 40 FECB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(N)=O 6489744 GKLMJHVYAASSGR-MHWRWJLKSA-N 365.389 2.365 10 40 FECB Cc1cc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c(C)n1-c1ccccc1 3419809 SZSPIKLFIHYGJR-MRXNPFEDSA-N 357.410 2.470 10 40 FECB COc1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc(O)c1O 85412565 ABXJXITXTNDLHF-LBPRGKRZSA-N 355.350 2.418 10 40 FECB CC(=O)C1=S=C2C=C(C(F)(F)F)c3cc4c(cc3N2C1=O)OCO4 1554502638 WWYWSWACMKMLFH-UHFFFAOYSA-N 355.293 2.346 10 40 FECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 27530441 BYCHYEZRYMYIHZ-UEUZTHOGSA-N 369.395 2.345 10 40 FECB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2O)C1=O 2409084 ZTGRUBZUEOVQBX-UKTHLTGXSA-N 359.432 2.277 10 40 FECB CCN1C(=O)/C(=C/c2ccc(OS(C)(=O)=O)c(OC)c2)SC1=S 41108593 ANRKGYDFSHCCAF-WQLSENKSSA-N 373.477 2.255 10 40 FECB CN(C)c1ccc(CN2CC[C@]3(CC(C(=O)NC4CCC4)=NO3)C2)cc1 96074510 WIRSDZLVOWBXCG-FQEVSTJZSA-N 356.470 2.142 10 40 FECB COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1O 13343517 NCVDAJHILFPBPY-WQLSENKSSA-N 353.421 2.467 10 40 FECB CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)c(OC(C)C)c1 651678 BJBWZMGHVVJFKX-UHFFFAOYSA-N 361.467 2.234 10 40 FECB COc1ccc(N2CCN(c3cc(=O)n4c(n3)SCCC4)CC2)cc1 5268208 FMHHKNHLIYLMIT-UHFFFAOYSA-N 358.467 2.074 10 40 FECB Cc1nn(C)c(N2CCOCC2)c1CN(C)Cc1ccc(N(C)C)cc1 89512448 MVQPZXXXHYNHDP-UHFFFAOYSA-N 357.502 2.263 10 40 FECB CCN(CC)c1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1 97992881 WXTKJDGFNDDLOG-LOEKEGPCSA-N 368.458 2.368 10 40 FECB CCN(CC)CCCN/C=C1/C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 1858836 NWRYWOJOLJAFTE-LGMDPLHJSA-N 372.469 2.092 10 40 FECB COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3)C1=O)OCO2 409111275 BEQGWWQWKNOGLQ-QPEQYQDCSA-N 366.329 2.090 10 40 FECB CN(C=C1C(=O)N(C)C(=O)N(C)C1=O)Cc1ccc(Cl)c(Cl)c1 6935182 XUOBQKPRJXQVPJ-UHFFFAOYSA-N 356.209 2.360 10 40 FECB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(S(N)(=O)=O)cc1 5647233 DYGBXEKHZSPMTQ-GZTJUZNOSA-N 370.434 2.361 10 40 FECB COc1ccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c(O)c1 19551836 OCSNEMFCHZNGLB-UHFFFAOYSA-N 364.405 2.104 10 40 FECB CCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC 408868757 BEFKKMMIASSBAU-UHFFFAOYSA-N 354.815 2.052 10 40 FECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)cc1 408783312 MKJLLCIFRQPOML-MHWRWJLKSA-N 353.378 2.317 10 40 FECB CN(C)c1ccc([C@H]2C=C(C(=O)O)Nc3nc(C(F)(F)F)nn32)cc1 102335898 PQEXVPGUBVFXLC-LLVKDONJSA-N 353.304 2.346 10 40 FECB CCN1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)NC1=S 409005521 FMEOCGGMEIQCKS-UITAMQMPSA-N 357.229 2.241 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(F)cc2F)cc1 8719446 OPSHXMCUGRAAFI-UHFFFAOYSA-N 363.364 2.294 10 40 FECB CN(C)c1ccc([C@@H](CNS(C)(=O)=O)N2CCc3ccccc3C2)cc1 35349281 LNXBLLVMGMFPKS-HXUWFJFHSA-N 373.522 2.401 10 40 FECB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NCC(=O)O 408537252 ZTEAHWPSPJMXAJ-WDZFZDKYSA-N 352.188 2.038 10 40 FECB CC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc4nncn4n3)N=C2C)cc1 101653791 FFQOAGAMSFUQQD-OQLLNIDSSA-N 361.365 2.045 10 40 FECB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(N2CCSCC2)cc1 54037592 WFCRXAVXLHQHJG-PBHICJAKSA-N 361.511 2.018 10 40 FECB CC[C@H]1C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O 4946119 VPAITWKEDLFJMU-HIETZZAVSA-N 370.357 2.076 10 40 FECB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 59418056 VUYFUXMOWHPBMY-UHFFFAOYSA-N 356.378 2.319 10 40 FECB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 20190731 KNZDJKLFFSHILE-IBGZPJMESA-N 365.433 2.149 10 40 FECB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/NN2CCCCC2)C1=O 6784212 ASNSIYFJACYENW-SEYXRHQNSA-N 358.398 2.383 10 40 FECB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(N)(=O)=O)cc1 13099284 TZERFUCXCBLOGZ-MJWGMMHASA-N 357.395 2.209 10 40 FECB in-vitro CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 13616142 QUICTTLUOYQNEZ-VBKFSLOCSA-N 373.405 2.182 10 40 FECB CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2O)CC3)CC1 12145352 DTHLGLCHAFGSBV-UHFFFAOYSA-N 354.454 2.270 10 40 FECB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1cc(Cl)ccc1O)C2 19293013 GDPBXYBRONFMIH-UHFFFAOYSA-N 360.845 2.287 10 40 FECB Oc1ccc(Br)cc1CN1CCC(N2CCOCC2)CC1 19889176 YXAKQORSLVNWPA-UHFFFAOYSA-N 355.276 2.451 10 40 FECB O=C(O)CCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S 3532597 KENOTTKNYNCVED-XYOKQWHBSA-N 351.405 2.134 10 40 FECB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1cccc(Cl)c1 101642908 FCIMFQITIYUCLP-MDWZMJQESA-N 353.773 2.496 10 40 FECB CN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N(C)C1=O 2305450 HQFAUWYBSXLCOZ-UHFFFAOYSA-N 354.318 2.079 10 40 FECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(Br)ccc1O 6348212 WQUQCZMQOOHLDR-XFFZJAGNSA-N 352.184 2.457 10 40 FECB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NNc1ccccc1 9348889 RFBAOUTWWCCJEL-SSZFMOIBSA-N 354.410 2.456 10 40 FECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1Cl 101468581 WXRBJIMGZAPWLO-SERMCNLOSA-N 353.831 2.041 10 40 FECB COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCN(C)CC3)c2C)cc1 22861574 UEDGWAJETMUWFG-UHFFFAOYSA-N 369.465 2.311 10 40 FECB COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1cc(O)c(O)cc1O 16740692 GRKUABFXPCAFCK-OAHLLOKOSA-N 360.318 2.305 10 40 FECB CCN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(N(C)C)cc1 7362276 BVSSVHFBELURML-UHFFFAOYSA-N 354.454 2.312 10 40 FECB Oc1ccccc1CN1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 247956798 NTVUYYLINIMMOS-YJBOKZPZSA-N 352.438 2.281 10 40 FECB COc1ccccc1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 1087698 ZENUTRKZCJXBNH-KAQJVSAMSA-N 369.489 2.084 10 40 FECB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(N)(=O)=O)cc1 100136855 TZERFUCXCBLOGZ-RAJOGRCSSA-N 357.395 2.209 10 40 FECB in-vitro O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 4357055 IZCZHZNSDOWIGX-QFQXNISHSA-N 371.823 2.469 10 40 FECB Cc1ccnc(N[C@H](c2ccccc2O)c2oc(CO)cc(=O)c2O)c1 945135 FHXJAOWZPUKPTO-QGZVFWFLSA-N 354.362 2.448 10 40 FECB O=C(O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 108063553 CIEDUOSPACFTNN-JYRVWZFOSA-N 372.764 2.265 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)N(C)Cc2ccsc2)cc1 24980339 FYLHOWMRDHIEDE-UHFFFAOYSA-N 361.467 2.097 10 40 FECB O=C(CCNC(=O)c1ccncc1)NCc1ccc(N2CCCC2)cc1 52807136 GFGAITWRCJWJTB-UHFFFAOYSA-N 352.438 2.118 10 40 FECB CCN(CCO)C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 1265323 RDUGOGYZCNBECM-BENRWUELSA-N 370.521 2.180 10 40 FECB Cc1ccc(N2C(=O)NC(=O)/C(=C\NN(C)c3ccccc3)C2=O)c(C)c1 408533972 UHNRMVUPSRPQJE-FOWTUZBSSA-N 364.405 2.411 10 40 FECB CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 101034235 NWRYWOJOLJAFTE-GHRIWEEISA-N 372.469 2.092 10 40 FECB O=C(O)/C=C/c1ccc2c(c1)O[C@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2 72319975 XOLNJKHCNSNACU-CHTJOOCBSA-N 358.302 2.161 10 40 FECB biogenic,in-vitro CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(C3CCCC3)C1=O)OCO2 4992988 ZLBUYMDOUSWRFH-NTUHNPAUSA-N 372.377 2.218 10 40 FECB O=C(O)[C@H](CO)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 54164410 XZVLGZRDWYTLGI-MFFLEYSLSA-N 369.851 2.456 10 40 FECB COc1ccc(N2CCN(c3ncc([N+](=O)[O-])c4[nH]cnc34)CC2)cc1 5024643 MMLBIQAQCFYPSB-UHFFFAOYSA-N 354.370 2.201 10 40 FECB Cc1ccccc1N/C=C1\C(=O)NN=C1c1c(O)c2ccccc2n(C)c1=O 100261015 WDTUNJKUQRVDCQ-KAMYIIQDSA-N 374.400 2.382 10 40 FECB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C1/C(=O)N(C)c2ccccc21 96843606 RFBQOWHBLFGMLU-FBJMNJBLSA-N 371.462 2.377 10 40 FECB Cc1cccc(CS(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 49740708 CGWKTTWTPMKCMK-UHFFFAOYSA-N 373.522 2.366 10 40 FECB Cc1ccccc1N1C(=O)/C(=C\NCCN2CCCCC2)C(=O)N=C1S 103229586 XYPZWZAZESALID-SQFISAMPSA-N 372.494 2.113 10 40 FECB Nc1cc(N)c(S(=O)(=O)O)cc1/N=N/c1cc([N+](=O)[O-])ccc1O 4705986 PNSZUHGNMLTLEA-FOCLMDBBSA-N 353.316 2.127 10 40 FECB CC[C@@H](C)N1C(=O)/C(=C/Nc2cc(OC)ccc2OC)C(=O)N=C1S 103126972 BKUIQXQNHLKIHX-QSARLWQPSA-N 363.439 2.453 10 40 FECB CN(C)c1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)cc1 248142307 UPRZORSELLRNIK-FXAWDEMLSA-N 371.506 2.258 10 40 FECB CCN(CC)CCCN/C=C1/C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 1869011 WJIYJAHOQGLVHG-SSZFMOIBSA-N 372.469 2.092 10 40 FECB Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1C(=O)O 408851882 BCAGTWSRBBWQDZ-UHFFFAOYSA-N 368.345 2.387 10 40 FECB COc1ccc(N2CCN(c3ccc(C(=O)NC4CC4)cc3N)CC2)cc1 225443239 HABYDSCCNLVOHO-UHFFFAOYSA-N 366.465 2.496 10 40 FECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)c1 1067050 JJRXBXVWWHOSTL-MHWRWJLKSA-N 352.346 2.370 10 40 FECB COC(=O)CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S 1091717 NXLCQCWLGLIXHW-UKTHLTGXSA-N 367.448 2.468 10 40 FECB COc1ccc(OC)c(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)c1 12438404 ISEDECUOEPIKHD-LQGZHCLWSA-N 353.421 2.378 10 40 FECB Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)NC2=S)c1 4805761 UWRHXMWUQJIUCZ-WQLSENKSSA-N 357.347 2.328 10 40 FECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc2ncccc2c1 408547031 GBULTCTVDATHFZ-GDNBJRDFSA-N 362.345 2.402 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 1276985 HXPMDJWREVGHAM-LMRAXHDRSA-N 367.448 2.467 10 40 FECB O=C1N[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Nc2ccccc21 4499093 TXXHLSNAHRBTHK-QGZVFWFLSA-N 354.366 2.286 10 40 FECB Cc1nccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 65551325 SXVHRJYCGBURQW-STQMWFEESA-N 358.417 2.468 10 40 FECB Cc1c(C)c2cc(Cl)c(O)c(CN[C@@H]3CCS(=O)(=O)C3)c2oc1=O 20650094 YMBBFAFDCPAKFF-SNVBAGLBSA-N 371.842 2.046 10 40 FECB COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3F)CC2)cc1 25436879 LZVKBZLWNIQWMQ-QGZVFWFLSA-N 360.429 2.396 10 40 FECB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccccc1O 2223499 KBBVBQQRCSVLCZ-UHFFFAOYSA-N 353.378 2.234 10 40 FECB CC(C)(C)N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408550601 IIYACEFGLGZKLZ-CLFYSBASSA-N 355.822 2.499 10 40 FECB COc1ccc(N2CCN(CC(=O)N3CCc4ccccc4C3)CC2)cc1 57303707 IAWPKWVVAXZGKY-UHFFFAOYSA-N 365.477 2.402 10 40 FECB CN1CCc2cc([C@@H](CNC(=O)c3ccco3)N3CCOCC3)ccc21 22733367 UYPJLIFTWKHHIR-GOSISDBHSA-N 355.438 2.075 10 40 FECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc(C)c1 113834796 JUERKIKSDRJQLG-UHFFFAOYSA-N 366.373 2.332 10 40 FECB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 408548589 JEOGRPHLLGPRDE-CXUHLZMHSA-N 371.368 2.299 10 40 FECB COc1ccc2c(c1)CCCN2CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12534878 QOCZOEIVDQKQJE-UHFFFAOYSA-N 352.394 2.256 10 40 FECB Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1C 68792273 IKXNIKXJCNCBKP-INIZCTEOSA-N 369.465 2.380 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)N(C)Cc2ccc(C)cc2)cc1 8779674 UHBQUQLQFPAWPH-UHFFFAOYSA-N 369.465 2.344 10 40 FECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCCCNC1=O 45668813 NYCWZYPXLAHNAI-GOSISDBHSA-N 358.486 2.487 10 40 FECB CCOC(=O)C1=C(CN(Cc2ccc(N(C)C)cc2)C(C)C)NC(=O)NC1 40153720 STTPTOGGTPKAJV-UHFFFAOYSA-N 374.485 2.093 10 40 FECB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccccc3O)C2=O)cc1 1192168 LPRFWTGTGXAHPR-RVDMUPIBSA-N 352.346 2.030 10 40 FECB COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCS3)cc1OC 15953197 UQTFIOVCRPYJKP-IBGZPJMESA-N 357.455 2.484 10 40 FECB COc1ccc(N(CCC(N)=O)CC(=O)Nc2cccc(C(C)=O)c2)cc1 8719444 UFKCBMPZUNZOKF-UHFFFAOYSA-N 369.421 2.218 10 40 FECB NC(=O)c1cc(C2=NN=C(NCc3ccc(F)cc3)SC2)ccc1O 9836576 NNYJRQIDPYPQHW-UHFFFAOYSA-N 358.398 2.227 10 40 FECB COc1cccc(OC)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 49740633 VNNQBJLEAWIVMF-UHFFFAOYSA-N 369.465 2.386 10 40 FECB CC[C@@H](C)N1C(=O)/C(=C\NCCc2c[nH]c3ccccc23)C(=O)NC1=S 5884460 MQDRBRURLZVRRU-QJMZJAKPSA-N 370.478 2.226 10 40 FECB C[C@H]1Cc2cc(/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)ccc2O1 27417286 NOKPLNUWQYKIPV-OKHBPPCESA-N 371.462 2.178 10 40 FECB O=C(O)CN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S 4503495 KJRDZNXQXQNIKF-RUDMXATFSA-N 374.237 2.441 10 40 FECB COc1ccc(CNC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 57362849 MIAQDCWKCFTTHY-UHFFFAOYSA-N 369.465 2.142 10 40 FECB O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(O)c4ccccc34)ccc21 226860047 BZJWHVKAQZLEEN-UHFFFAOYSA-N 368.370 2.230 10 40 FECB NS(=O)(=O)c1ccc(NC2=NC(=O)/C(=C\c3ccccc3)S2)cc1 1093395 DNOTZRLHOVNCJM-GXDHUFHOSA-N 359.432 2.416 10 40 FECB CCOc1ccccc1/C=C1/SC(N2CCN(C(C)=O)CC2)=NC1=O 950643 QKMTZHQPUIAXIM-FOWTUZBSSA-N 359.451 2.220 10 40 FECB COCCN1C(=O)[C@@H](Cc2cc(OC)c(OC)c(OC)c2)SC1=S 8104681 JBCKVBUUICEMFM-CYBMUJFWSA-N 371.480 2.130 10 40 FECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 409393070 OWGZRPQMNFLHLX-NTCAYCPXSA-N 366.377 2.331 10 40 FECB COc1ccccc1/C=C1\SC(=S)N(CN2CCOCC2)C1=O 35176688 XYKNIUKKIZXEKP-UVTDQMKNSA-N 350.465 2.186 10 40 FECB COc1cccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c1O 19567213 BPDIDDZYCYWLHW-UHFFFAOYSA-N 364.405 2.104 10 40 FECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NNc1ccc(Cl)cc1 19871535 PGBWBDZCDOEXDT-UVTDQMKNSA-N 356.769 2.423 10 40 FECB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O 16427993 OBOTXQZIHDIZSF-JYRVWZFOSA-N 359.725 2.415 10 40 FECB CN(C)C/C=C/C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 81203253 UJPHIFNDKNYODT-YVARQFDVSA-N 353.413 2.491 10 40 FECB COc1ccc(N2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1 19556604 SGSCFUYQKYVIIZ-UHFFFAOYSA-N 370.482 2.114 10 40 FECB Oc1cc2c(cc1CN1CCN(CCOc3ccccc3)CC1)OCO2 23249242 FRQPVQWECQVXEB-UHFFFAOYSA-N 356.422 2.318 10 40 FECB Nc1ccccc1C(=O)n1[nH]c(=O)c(/N=N\c2ccc([N+](=O)[O-])cc2)c1N 100643963 LFRSAUQVMRADKD-VXPUYCOJSA-N 367.325 2.353 10 40 FECB CCN(CC)CCN/C=C1\C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O 103101669 KKZRGVDLBNGHOV-PTNGSMBKSA-N 362.405 2.060 10 40 FECB CN(C)c1ccc(/C=C2/SC(=S)N(CN3CCOCC3)C2=O)cc1 24302092 SSDWQEWOEJYSGW-RVDMUPIBSA-N 363.508 2.244 10 40 FECB NC(=O)CC1CCN(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 65516402 GQZUWKMAHRQVPD-UHFFFAOYSA-N 358.486 2.474 10 40 FECB COCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)C(C(=O)OC)=C1C 408976510 RFMPCXSCUVRSLR-GDNBJRDFSA-N 361.394 2.023 10 40 FECB COc1ccc(C=C2SC(=S)N(CN3CCOCC3)C2=O)cc1 2049236298 ONCTWZBSVVJKTM-UHFFFAOYSA-N 350.465 2.186 10 40 FECB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OC 5592966 OTBNHIRIMMLFRK-UHFFFAOYSA-N 368.842 2.346 10 40 FECB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1828727 KKDNBOWDHVMEJU-PPLKPFPSSA-N 353.421 2.465 10 40 FECB COc1ccc(/N=N/C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)cc1 17261114 OPIRBQFWEHOLSR-XESANNGCSA-N 364.402 2.493 10 40 FECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 33398382 LEKPHCBQFOTWEJ-NTEUORMPSA-N 370.361 2.349 10 40 FECB Cc1ccc(/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc1 3850429 OAUGMSWUUIPXEV-PTNGSMBKSA-N 359.385 2.470 10 40 FECB COc1ccc(/C(C)=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 35041576 LSOVASKVZGFXFN-XFXZXTDPSA-N 373.477 2.174 10 40 FECB COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc(OC)c1 4745228 QGBJJKBWSCJJKL-QJZKUFFDSA-N 353.421 2.378 10 40 FECB COc1cc(OC)c(NC(=O)C[C@H]2SC(=S)NC2=O)cc1Cl 34926826 BBVHMYWTGVOKAK-SNVBAGLBSA-N 360.844 2.202 10 40 FECB CN1C(=O)C(=Cc2ccc3c(c2)OCC(C)(C)CO3)C(=O)N(C)C1=S 225370020 MSEOQOTVZSYDNR-UHFFFAOYSA-N 360.435 2.083 10 40 FECB Oc1ccc(CN2CCc3c(O)nc(-c4ccccn4)nc3C2)cc1O 19402318 IANGUMHSKQPDBX-UHFFFAOYSA-N 350.378 2.214 10 40 FECB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NC1=NCCS1 4745405 GIRBOJLTYNYXPQ-RMKNXTFCSA-N 369.518 2.168 10 40 FECB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(C)C2=O)c1C 409189512 HEZNONJUVQGLMF-XNTDXEJSSA-N 353.378 2.403 10 40 FECB C#CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34835251 LBVMFSLNZWTLPX-VBKFSLOCSA-N 363.329 2.068 10 40 FECB C[S@](=O)Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 54284641 VOTGOJUSOZIABV-AREMUKBSSA-N 372.490 2.332 10 40 FECB CN1CCCc2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 58511477 SVTMHFJLDXOTOR-UHFFFAOYSA-N 361.423 2.456 10 40 FECB CCc1ccc(-c2csc(NC=C3C(=O)NC(=S)NC3=O)n2)cc1 23114578 IFVOXKWGJNCCBM-UHFFFAOYSA-N 358.448 2.199 10 40 FECB NC=C1C(=O)N(CCc2ccccc2)C(=O)N(CCc2ccccc2)C1=O 6344192 YHDCUAGVSREETR-UHFFFAOYSA-N 363.417 2.105 10 40 FECB COc1ccc(N2CCN(C(=O)CSC3=NCCS3)CC2)cc1 8091274 CADVFHFKAARRIV-UHFFFAOYSA-N 351.497 2.180 10 40 FECB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 46710072 KBCRAFYTVAFXEY-UHFFFAOYSA-N 373.478 2.125 10 40 FECB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccccc1O 9262226 FNOHXNUGTHKIIE-JKSUJKDBSA-N 351.362 2.463 10 40 FECB CN(C)CCCN/C=C1\C(=O)N(c2ccccc2Cl)C(=O)N=C1O 102595338 VNESGCAFQPDWFQ-KHPPLWFESA-N 350.806 2.188 10 40 FECB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 2302115 DBHKABLYSCQSMV-PKNBQFBNSA-N 359.382 2.316 10 40 FECB CCC[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 16789988 MTRYWBAIIMGWGI-OQDIYGIBSA-N 362.432 2.463 10 40 FECB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408953973 QSGOQCWSCPNUPU-RIYZIHGNSA-N 350.330 2.390 10 40 FECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 409389497 BNXUGUMHQQIXQS-YLTNESKFSA-N 364.317 2.212 10 40 FECB CS(=O)(=O)c1snnc1C1CCN(Cc2ccccc2O)CC1 12121295 OEYNSIPAHDSOAV-UHFFFAOYSA-N 353.469 2.027 10 40 FECB CSc1nc(C)c(CCC(=O)NCc2ccc(N(C)C)cc2)c(=O)[nH]1 12555721 QZZAZQIXDWCBCG-UHFFFAOYSA-N 360.483 2.115 10 40 FECB COc1ccc(/N=N\C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)cc1 104314258 OPIRBQFWEHOLSR-HGLYGGTCSA-N 364.402 2.493 10 40 FECB N=C1/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(c3cccnc3)=NN12 9242359 VDHMBVIHFUNPTJ-QWTHEVRYSA-N 368.334 2.250 10 40 FECB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(O)c3)C2=O)c1 408899352 ORGFXRNPNKNQHU-RIYZIHGNSA-N 352.346 2.381 10 40 FECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S 16711908 SEYRALOSZSLTAC-KLDHPSGWSA-N 368.392 2.063 10 40 FECB CN(C)c1ccc(/C=c2\sc3nnc(Cc4ccccc4)n3c2=O)cc1 16957481 NTCDRAWSLHNGLG-ATVHPVEESA-N 362.458 2.356 10 40 FECB CCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)O)cc1 4831840 HVTGWLSYXUIULO-ZGTROFRASA-N 372.472 2.175 10 40 FECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1O 408912399 QPQRDMVOYKESAH-NTUHNPAUSA-N 356.309 2.206 10 40 FECB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)O 408533653 ZSOLUPYBJWGPGU-WTKPLQERSA-N 359.812 2.301 10 40 FECB O=C(CN1C[C@@H](O)C[C@H]1CO)Nc1ccc(/N=N/c2ccccc2)cc1 108144847 IOFNPUNBWZVMQP-MVWSPQEZSA-N 354.410 2.468 10 40 FECB COc1ccc(C2=NN(CCO)C(=O)/C2=C\c2ccc([N+](=O)[O-])cc2)cc1 18192206 OCXPSXPEQKBLJZ-ATVHPVEESA-N 367.361 2.226 10 40 FECB O=C1/C(=C\c2ccccc2O)SC(=S)N1CCCN1CCOCC1 31761405 RMDJZCZWDGOGJF-NTCAYCPXSA-N 364.492 2.316 10 40 FECB COc1cccc(/C(C)=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c1 35041581 YBHSNLWNTKPEGT-XFXZXTDPSA-N 373.477 2.174 10 40 FECB CCCCN1CCc2cc(/C=C3/C(=O)NC(=O)N(OCC)C3=O)ccc21 13816018 RVWLLRVHBKOSBB-QINSGFPZSA-N 357.410 2.263 10 40 FECB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(OC(F)(F)F)cc1 34926905 MLHXYLFZRHRCDB-QMMMGPOBSA-N 350.343 2.430 10 40 FECB CN(C)C(=O)N[C@H]1COC2(CCN(Cc3ccc(N(C)C)cc3)CC2)C1 96073269 CKDPGTVVTNJKRU-QGZVFWFLSA-N 360.502 2.147 10 40 FECB C[C@H]1NC(=S)N(Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O 55179468 SHSXMWGGUWDXIG-SNVBAGLBSA-N 373.400 2.147 10 40 FECB COCCN1C(=O)/C(=C/c2cccn2C)C(=O)N(c2ccccc2)C1=O 409013728 NUUIPTURBMNXEE-SSZFMOIBSA-N 353.378 2.050 10 40 FECB COc1ccc(N2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)cc1 42658272 RCDWPXRXHAZUPL-UHFFFAOYSA-N 363.421 2.238 10 40 FECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(Cl)c1 13551015 CBLMOFNORYMQEE-IAOKNECISA-N 353.831 2.041 10 40 FECB O=C(CSc1cn[nH]n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4912668 SPCCZCUXLXUWJY-UHFFFAOYSA-N 364.386 2.311 10 40 FECB CN(C)c1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1 95951068 OJAASMDSOBUELZ-GXDHUFHOSA-N 354.460 2.493 10 40 FECB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccccc1OC(F)(F)F 34926906 FPFSURLFSRBTGX-MRVPVSSYSA-N 350.343 2.430 10 40 FECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1276913 LSNZFUJBLJCVRO-CLUBXZQOSA-N 352.393 2.358 10 40 FECB COc1ccc(CCNC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1OC 100621862 WKJZKNFGZORWFP-SFTDATJTSA-N 373.449 2.327 10 40 FECB Cc1ccccc1/C=C1/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C1=O 32707963 UPOHVOFCFFRSCF-OTXQMUPVSA-N 351.405 2.124 10 40 FECB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)ccc1C 74966426 QLTLBYDZISHLCF-UHFFFAOYSA-N 362.451 2.326 10 40 FECB CCN1C(=O)NC(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc23)C1=O 59109650 LAPYADDVMALCEP-XNTDXEJSSA-N 354.362 2.339 10 40 FECB O=C1NC(=S)S/C1=C\N1N=C(c2ccc(Cl)cc2)C[C@H]1C(=O)O 256028235 ZMVPMSNKPZGYHA-OYUORYAFSA-N 367.839 2.192 10 40 FECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)O)cc3)C2=O)c1 16349463 MYENEFUWPYEJJZ-GDNBJRDFSA-N 365.345 2.272 10 40 FECB COc1ccc(-c2coc3c(CNCCO)c(O)ccc3c2=O)cc1OC 32501413 FJJKCEUXNJNTRM-UHFFFAOYSA-N 371.389 2.265 10 40 FECB biogenic COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)ccc1O 19908697 RADCFXRBORYSKP-IBGZPJMESA-N 359.378 2.257 10 40 FECB NC(=O)[C@@H](CNCc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1 95452877 FQIUILXCQBGHLP-GOSISDBHSA-N 371.456 2.096 10 40 FECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 4330357 PVGCLEACRVVWFR-IBGZPJMESA-N 368.481 2.419 10 40 FECB CCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=S 1810134 UTKKZRQJMHRGKB-SEYXRHQNSA-N 362.432 2.082 10 40 FECB C[C@@H](CN1CCOCC1)NC(=O)CSc1ncc(-c2ccccc2)n1C 58365098 VAMTXUKQHKWXLJ-HNNXBMFYSA-N 374.510 2.016 10 40 FECB