smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NS(=O)(=O)c1ccc(CC/N=C/c2coc3ccccc3c2=O)cc1 28523283 AKOZVEYKBWJJAE-RGVLZGJSSA-N 356.403 2.102 30 1 FEEF COc1ccc(C#CCCCCC(=O)O)cc1Cc1cnc(N)nc1N 29254967 CIUYZEMTWPMSNU-UHFFFAOYSA-N 354.410 2.237 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@@](O)(C(=O)C=CC)[C@@H]2OC(=O)C(C)=CC 2356499171 WZMSNQSBWAAHTM-SQIXAUHQSA-N 362.422 2.268 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)CC[C@@](C)(C[C@H](OC[C@@H](C)CC)[C@H]12)O3 2356503659 PCHLUXXZPOQAHL-INEGKQKYSA-N 366.454 2.096 30 1 FEEF NC(N)=Nc1nc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cs1 26155994 UCOCJMZMFKXXIA-UHFFFAOYSA-N 354.367 2.188 30 1 FEEF COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3CCC3)nc2)cc1 142362426 XFHSYPFVVYFPSD-OAHLLOKOSA-N 350.422 2.374 30 1 FEEF O=S(=O)(N1CCCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1 96272997 AFRDXYQVLBIYMU-UHFFFAOYSA-N 373.503 2.242 30 1 FEEF COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)NC1=O 201247729 CCULSGKAHLHGMO-IVXJCAOYSA-N 363.461 2.219 30 1 FEEF C[C@H]1CCC[C@@]2(O1)O[C@H]1CC(=O)O[C@@H]1C1=C2C(=O)c2ccccc2C1=O 6481121 OEUYGKAVYFGZFF-DKGWNKQBSA-N 354.358 2.362 30 1 FEEF Cn1cc2c3c1C(=O)C(NCCc1c[nH]c4ccc(O)cc14)=CC3=NCC2 29131787 YOMHRBDMWGZCRK-UHFFFAOYSA-N 360.417 2.470 30 1 FEEF C=C(CCC=C(CO)CCC=C(C)CO)C(=O)CCC(=CCO)C(=O)O 2356501940 RORJYXWXUUANRA-UHFFFAOYSA-N 366.454 2.313 30 1 FEEF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@]12CO2 33650319 IGDIDZAQDRAJRB-UPGMHYFXSA-N 350.411 2.154 30 1 FEEF C[C@H]1CC/C(=N\Nc2ccccc2[N+](=O)[O-])c2ncc(C(=O)O)c(=O)n21 40828599 WOJCZBOLUHMELI-JAXARTJQSA-N 357.326 2.021 30 1 FEEF CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO 95897647 IWMSBTAHFYGBCH-ZJOUEHCJSA-N 367.424 2.233 30 1 FEEF C=C1CO[C@@H]2/C=C(/C)CC[C@H](O)[C@](C)(O)C/C=C/[C@@](C)(O)CC[C@]12O 238785975 QWQCCBLIKLMUJQ-DGKHFBKZSA-N 352.471 2.002 30 1 FEEF O=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1 96270328 UIMOJSHBVUUXAE-GOSISDBHSA-N 374.462 2.196 30 1 FEEF CCS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95898196 FWARPLPHHGVTHJ-QYZOEREBSA-N 374.437 2.495 30 1 FEEF N#Cc1ccnc(N2CC[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C2)n1 168370419 LZILJSDXPDZWNS-LBPRGKRZSA-N 366.805 2.193 30 1 FEEF C[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@@H]12 101488248 DFSKMMSUPHINPX-ZWUPXRALSA-N 354.391 2.010 30 1 FEEF Cc1c(-c2csc(N=C(N)N)n2)ccn1S(=O)(=O)c1ccccc1 27631267 RAWQVHRMLJPEPZ-UHFFFAOYSA-N 361.452 2.062 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)[C@H](O)C(C)=CCC[C@@]1(C)O[C@H]21 263636822 ISNCBKDTMCCSDO-CKAYJIMUSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C=C(C)C)C(C)=CCC[C@@]1(C)O[C@@H]21 263638910 XYEXFSWBSVHZOV-QMWWYVJASA-N 362.422 2.221 30 1 FEEF C/C(N)=C/C(=O)c1[nH]c(C(=O)O)cc1[C@@H]1CCN(Cc2ccccc2)C1=O 17730509 RFVVFVODGDUCRC-UQTJOTSZSA-N 367.405 2.274 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356397233 JRVXBSMCUQHDNS-JEBVVYEKSA-N 364.438 2.060 30 1 FEEF C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C(=C/CO)C(=O)O 59587206 OBESDOWPJJESMH-ASUYQQFFSA-N 350.455 2.288 30 1 FEEF biogenic,in-vitro C=C(C)[C@H](O)CCC(C)=C[C@@H]1OC(=O)C[C@@]12C[C@@H](OC(C)=O)C=CC2=O 2356442922 UPJWEYWAFSPGPI-WBQJQJEBSA-N 362.422 2.413 30 1 FEEF CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cn3)o2)cc1 66101853 LIWYTSHXZDYRAQ-UHFFFAOYSA-N 351.366 2.370 30 1 FEEF O=C1Nc2c(cccc2[N+](=O)[O-])C(=O)/C1=N/Nc1ccccc1[N+](=O)[O-] 72177617 QCGRCQORRVWQLY-AQTBWJFISA-N 355.266 2.106 30 1 FEEF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CNCC3CCNCC3)[C@@H]2CC1 1857626939 QYJAXKBRNQWCCG-VDRZXAFZSA-N 362.514 2.411 30 1 FEEF C[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 2356710195 SAMKMXPGYNTUIZ-OIMFUDJCSA-N 352.446 2.303 30 1 FEEF O=C1Nc2ccccc2/C1=N/NC(=S)N1CCN(c2ccccc2)CC1 96908842 IAOUSZLFVAGBAP-UHFFFAOYSA-N 365.462 2.040 30 1 FEEF NC(N)=NC(=O)N1CCc2c(Cl)ccc(-c3c(F)cncc3F)c2C1 261102336 GPZLWYFUWCDNEF-UHFFFAOYSA-N 365.771 2.432 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@]2(O)[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356407800 LEDWNNAHTKTAEH-BEHZHLIESA-N 360.406 2.022 30 1 FEEF C[C@@H]1CC(=O)[C@]2(C)[C@]3(C)O[C@@H]3CC[C@]2(O)[C@@]12C(=O)O[C@H]2Cc1ccoc1 2356451538 JIOWDKSKWPTSCY-VPNZHTRTSA-N 360.406 2.032 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccn2nnnc2c1 587891186 RRUFQUJCWXHSDF-UHFFFAOYSA-N 360.204 2.142 30 1 FEEF COc1ccc(CN2C(=O)[C@H](CS)NC(=O)[C@@H]2Cc2ccccc2)cc1 13556874 KIGOGXGZNGEPBS-ROUUACIJSA-N 370.474 2.063 30 1 FEEF COc1ccccc1/C=C/C=N/N1C(SC)=N[C@H]2[C@@H]1N(C)C(=O)N2C 1857753491 QZUFVNRQIYLRKS-LQNAFXEMSA-N 359.455 2.378 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C[C@H](O)[C@]3(C)CC[C@H]21 2356416076 HREHXDGEPLBBKK-ZPWDRBFBSA-N 362.422 2.246 30 1 FEEF CCOC(=O)C(=O)CC(=O)/C=C/c1cc(C(=O)c2ccc(F)cc2)c[nH]1 101704725 AIOYFQRMDIQQQN-BQYQJAHWSA-N 357.337 2.489 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(COC(=O)[C@H](C)CC)C[C@H](O)[C@H]12 2356499198 XJZZDTSTRICRMS-IUHNQTRMSA-N 364.438 2.063 30 1 FEEF CO/N=C(/C(=O)OC)c1cccc(Cn2cc(C3(O)CCCCC3)nn2)c1 28822386 VLJSZFNIMYVHFL-HEHNFIMWSA-N 372.425 2.002 30 1 FEEF C=CCN1C(=O)S[C@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)C1=O 587037927 ANWVSQKDNWIRRS-SSDOTTSWSA-N 357.317 2.116 30 1 FEEF CCc1c(C)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)O[C@]1(OC)C(=O)OC 13366070 DSYKJFFQHNSURC-FQEVSTJZSA-N 374.389 2.263 30 1 FEEF biogenic,in-vivo O=S(=O)(c1cnc[nH]1)N1CCC(/C(O)=N/Cc2cccs2)CC1 4929938 FKVKERWLDRCRCR-UHFFFAOYSA-N 354.457 2.029 30 1 FEEF CN1N=C(O[C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@H]2O)[C@H]2[C@H](C1=O)C2(C)C 100918647 WIZAHEUNRHZDLP-FPCVCCKLSA-N 369.421 2.206 30 1 FEEF COc1cc(/C=N\NC(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)cc(OC)c1OC 100552468 KTYWYQHDGYWPLM-SUAVQJQRSA-N 361.467 2.475 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@@H]2OC(=O)[C@](C)(O)[C@@H]21 2356477724 FRGAPYHVPJHJFF-FWBPHNCYSA-N 360.406 2.022 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@]3(O)C=C[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 238748926 BZLSCTYZIPOOPI-ULKKLWCLSA-N 360.406 2.346 30 1 FEEF C#CC[N@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 253849492 CHIUBJVMSXBOBQ-DYXDWXSYSA-N 373.476 2.241 30 1 FEEF O=C(CCCCCNc1nc(NCc2ccccc2)[nH]c2ncnc1-2)NO 653699251 NGFFUGYQUVTAAZ-UHFFFAOYSA-N 369.429 2.394 30 1 FEEF Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CO 587885129 BFTWZFKDXFONDV-UHFFFAOYSA-N 364.232 2.173 30 1 FEEF C=C1NN(C)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587773425 YUNVTDOVISWZQI-ANRSDYALSA-N 354.223 2.198 30 1 FEEF C#CCNC(=O)C1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587572761 QRGIQWIYLYGEBN-IBBFCSCYSA-N 363.369 2.252 30 1 FEEF O=C1C=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1N2Cc1ccccc1 169355677 WKEXHQLBCFZJRL-MDNKFWRPSA-N 358.397 2.184 30 1 FEEF N#CCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 2492787 ALVXDPCUXMSMBQ-IAGOWNOFSA-N 367.405 2.109 30 1 FEEF NS(=O)(=O)c1ccc(CC/N=C/C2=C(O)c3ccccc3C2=O)cc1 3893851 RNTVFSXXHFIBCT-RGVLZGJSSA-N 356.403 2.113 30 1 FEEF COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C#N)n1 149995013 LEUWDIMDYIZVJG-MRXNPFEDSA-N 356.357 2.014 30 1 FEEF CN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 586929720 ZHRILENVTAGUNS-UHFFFAOYSA-N 371.378 2.163 30 1 FEEF C[C@@]1(c2cc(NC(=O)c3ncccc3C#N)ccc2F)COCC(=N)N1 1857744621 MUPYNNYQWKFHDL-SFHVURJKSA-N 353.357 2.157 30 1 FEEF CCC(=O)C1=CN(CCCC(N)=O)[C@H](C(C)=C[C@H](C)CC)[C@](C)(O)C1=O 2356401190 WBQFTNWPHYITLF-YHBQJITHSA-N 364.486 2.112 30 1 FEEF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1ncc2ccccn12 28871165 HSSUHUSEEATZRV-WOJGMQOQSA-N 373.394 2.206 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C(=O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@H]12 2356487168 QZRJGJCGCXCSOM-CFGWQNJFSA-N 360.406 2.429 30 1 FEEF COCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O 95578016 DETUVIGYGMBKJQ-QGOAFFKASA-N 354.204 2.066 30 1 FEEF C=CCN1C(=O)S[C@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C1=O 587038403 HIUTXADLQBEHAT-LLVKDONJSA-N 350.331 2.403 30 1 FEEF COC(=O)[C@H]1C(=O)C=C(Nc2ccccc2N2CCN(C)CC2)C[C@@H]1C 1857767765 MJZHDBFTZPSXIU-IFXJQAMLSA-N 357.454 2.132 30 1 FEEF CC[C@H](C)N1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O 28124658 GLIONGRWISBWIA-NIVTXAMTSA-N 356.403 2.156 30 1 FEEF OC[C@H](O)Cn1cc(-c2ccc3c(c2)CC/C3=N/O)c(-c2ccncc2)n1 100411224 VATRAMGKPXJFAV-LTUQMTLXSA-N 364.405 2.090 30 1 FEEF C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cccc(OC)c1OC 101663516 QLGOGGVEFRMSLJ-LBFFYKKLSA-N 357.370 2.358 30 1 FEEF CC=C(C)C(=O)O[C@@H]1[C@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@]23OC(=O)[C@@H](C)[C@@]12O3 2356583751 FYNKIYMILKEXOG-CMEATTFCSA-N 364.438 2.340 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)C(=O)CC[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]12 2356641591 VJRFOMKRPJBZKL-WDGISKTCSA-N 352.427 2.182 30 1 FEEF C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 85800195 GWJAUARFGPKLMT-WWJHKQQMSA-N 364.438 2.046 30 1 FEEF in-man C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)CC/C=C(\C)[C@@H](OC(=O)CC(C)C)[C@H](O)[C@@H]12 238773876 ROXAJHABJATWNH-GFGZCECFSA-N 364.438 2.301 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@]1(C)O[C@H]1CC=C(C)[C@H]2O 2356313601 MKARTHSOYIRTRD-XRLWNKCISA-N 362.422 2.221 30 1 FEEF COC(=O)c1cc(NC(=O)C#Cc2cccs2)ccc1N1CCOCC1 64499445 BDBBFLVFKXMMAX-UHFFFAOYSA-N 370.430 2.362 30 1 FEEF Cc1cc(F)ccc1COc1ccc(S(=O)(=O)CCC(=O)NO)cc1 28528089 VNNZFWYWIVRFHS-UHFFFAOYSA-N 367.398 2.382 30 1 FEEF COC1=C[C@@H]2C3=C(C(=O)CCc4cc(OC)c(OC)c(OC)c43)[C@H]2C1=O 2356586925 SJRZHARJVKRVOM-HWPZZCPQSA-N 356.374 2.340 30 1 FEEF O=C(CCC1=CCCN(CCc2cccc(Br)c2)C1=O)NO 64528255 LDMYNKWWCQDYOT-UHFFFAOYSA-N 367.243 2.436 30 1 FEEF C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 95876990 QJZIHDAGXDAYFK-FJTGNWTPSA-N 368.521 2.053 30 1 FEEF Cc1nn(-c2ccc(-c3nnc(S)o3)cc2)c(=O)n1/N=C/c1ccco1 98083102 QWQGOOYPCWUKBU-RQZCQDPDSA-N 368.378 2.156 30 1 FEEF CC(=O)[C@@]1(CB2OC(C)(C)C(C)(C)O2)NCCc2c(C(=O)O)cccc21 963116022 BOOTXUAUTZZSPW-LJQANCHMSA-N 359.231 2.407 30 1 FEEF O=C(NO)c1ccc(C(=O)N2CCn3c(-c4ccccc4)cnc3C2)s1 16052633 SMSIXMLQOONOQQ-UHFFFAOYSA-N 368.418 2.387 30 1 FEEF in-vivo COc1cc(NC(=O)NCc2cccc(/C=C/C(=O)NO)c2)ccc1C#N 58582735 USKOBNSNWVIJII-VMPITWQZSA-N 366.377 2.407 30 1 FEEF N#CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccsc1 82065723 GYVCJEMEGWHUPY-HNNXBMFYSA-N 359.476 2.420 30 1 FEEF C=C1CO[C@@H]2/C=C(/C)CC[C@H](O)[C@](C)(O)C/C=C/[C@](C)(O)CC[C@]12O 238775452 QWQCCBLIKLMUJQ-JHHZBLMJSA-N 352.471 2.002 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C=C(C)C)C(C)=CCC[C@]1(C)O[C@H]21 263638912 XYEXFSWBSVHZOV-ZGRIBIJBSA-N 362.422 2.221 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cnc(N2CCN(C)CC2)c(CO)c1 587908998 HEZIOZKRQDZXJX-UHFFFAOYSA-N 371.868 2.388 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nnnn2c1 587891308 XXAJSHSJDZFOTQ-UHFFFAOYSA-N 360.204 2.142 30 1 FEEF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 586917031 QUWFGVYQNHYZAT-BUXKBTBVSA-N 358.361 2.313 30 1 FEEF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2OC(=O)[C@@H]1[N+](=O)[O-] 587389541 LNRNBFQQZNIWRL-FUHWJXTLSA-N 354.318 2.002 30 1 FEEF Cn1cc(C(=O)NO)c(Nc2ccc(Br)cc2F)c(F)c1=O 13679356 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370.541 2.311 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@@H](OC(=O)C=C(C)C)[C@@]12O 2356585880 FKEMRUDCQBDXII-MJKGWSOKSA-N 362.422 2.124 30 1 FEEF CC1=CC(=O)[C@H](C(C)C)C[C@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@](C)(O)C(=O)CC1 2356747783 XTTHQGPLWSYZEC-ZHFSRMOBSA-N 366.454 2.367 30 1 FEEF N#C[C@@H]1C[C@H](CO)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 222970851 ZLFQDMWTINJDNH-BFQNTYOBSA-N 357.389 2.338 30 1 FEEF CN1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 95875615 DBDSPFKQKXGBRZ-FKBYEOEOSA-N 368.521 2.198 30 1 FEEF N#C[C@@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CC1 95897956 FEXIVAKBYWVBGS-NJDAHSKKSA-N 357.413 2.070 30 1 FEEF COC(=O)c1cncc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)c1 204937565 KDROSDZSINJPPB-ABAIWWIYSA-N 368.397 2.162 30 1 FEEF C=CCOCn1c(C(=O)c2cccc3ccccc23)c(C)c(=O)[nH]c1=O 28652486 YZWKQWKZLBWISE-UHFFFAOYSA-N 350.374 2.389 30 1 FEEF COc1ccc2nc(S[C@@H]3Cc4ccccc4/C3=N\N=C(N)N)[nH]c2c1 43010170 RDPXLFXEBSOZHR-BXDHAIISSA-N 366.450 2.266 30 1 FEEF 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C=C1C(=O)O[C@@H]2[C@@H](O)/C(C)=C/CC[C@H](CO)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 238776298 GVSRLFWWDZXDPH-AGSPAFMMSA-N 366.454 2.142 30 1 FEEF Nc1nc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2n1 587890995 IWFLZCFQOPUMOO-UHFFFAOYSA-N 374.231 2.329 30 1 FEEF CCOC(=O)/C=C\C(=O)c1c(CO)oc2cc(Br)cnc12 587274665 YEUJVKXXQIJIRU-ARJAWSKDSA-N 354.156 2.385 30 1 FEEF Cc1cc2c(cc1O)[C@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)N[C@H](C(=O)O)C2 963529251 WNSWNZPVUFZHSF-KXBFYZLASA-N 367.361 2.343 30 1 FEEF COC1(C#C[C@@H]2C=C[C@@H](OC(C)=O)[C@H](COC(C)=O)O2)CCCCC1 254010333 BQIZFVANVXCUDO-KSZLIROESA-N 350.411 2.158 30 1 FEEF CC(C)(C)OC(=O)NCCCNCC1=C(O)C(=O)c2ccccc2C1=O 653897408 GJNBMUVXGZMXAL-UHFFFAOYSA-N 360.410 2.382 30 1 FEEF CC(C)(C)NC(=O)[C@@]1(C)CCCC(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 1772583359 IIAHRRPXSUIMPI-FCNRDGCESA-N 350.375 2.208 30 1 FEEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 101146552 VNCQCPQAMDQEBY-SQDKYBNXSA-N 362.422 2.255 30 1 FEEF endogenous,in-man 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2.392 30 3 FEEF C=C1[C@H]2C[C@H](OC(C)=O)[C@H](C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@H]1OC(C)=O 2356422301 LJYLKGAKLSAVRU-LFOFXNIFSA-N 350.411 2.260 30 1 FEEF CC(C=CC(=O)C1=C(O)[C@H](Cc2ccc(O)cc2)NC1=O)=C[C@@H](C)[C@H](C)O 2356645702 BCLPTDXMLFNOLV-KEYYUXOJSA-N 371.433 2.334 30 1 FEEF C/C=C(\C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@H]3OC(=O)[C@@]1(C)[C@H]23 523042027 CHVCBWJHQLHSFQ-ROMWQACSSA-N 362.422 2.260 30 1 FEEF biogenic COc1ccc(Cl)cc1C#Cc1sc(C(=O)O)cc1S(N)(=O)=O 587918386 PLCRDKVCMAISFQ-UHFFFAOYSA-N 371.823 2.156 30 1 FEEF COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 586921068 WQQXIXOYUJNPRY-UHFFFAOYSA-N 362.798 2.465 30 1 FEEF C=C1C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@H]2/C=C(/C)[C@@H](O)CC1=O 1772606864 WRIODODXFRXKGQ-XKBNSVKSSA-N 360.406 2.189 30 1 FEEF NS(=O)(=O)c1ccc(NC(=O)/C(Cl)=N/Nc2ccc(F)cc2)cc1 1857581380 AJLMUGVHFFKXAC-MOSHPQCFSA-N 370.793 2.076 30 1 FEEF CC[C@]12CC(C(=O)OC)=C3N(C)c4ccccc4[C@]34CCN(C[C@@H]3O[C@H]31)[C@H]42 2356566197 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2.240 30 1 FEEF C=C1C[C@H](CC)C(=O)O[C@@H]2CC[C@]3(C)CC=C(COC(=O)[C@@]1(C)O)[N@@+]23[O-] 2356322031 OYUWUNNAOJAFSE-LRLHPVAZSA-N 365.426 2.291 30 1 FEEF C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1C[C@H]3O[C@H]2OC 2356338903 DZEDOCQBLMZSHN-RMAOOFCPSA-N 362.466 2.057 30 1 FEEF COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CCN3C)CC1=O 104391872 XLWYWPDYNLZUJS-WOJBJXKFSA-N 359.422 2.136 30 1 FEEF COc1cccc2c1C(=O)C=C[C@@]21O[C@@H]2c3c1ccc(O)c3C(=O)[C@@H]1O[C@H]12 2356666846 FQIHWVHVGPUELH-IVAOSVALSA-N 362.337 2.432 30 1 FEEF CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O2 95725794 XOKPMWGDEQUDQC-MDZRGWNJSA-N 373.497 2.015 30 1 FEEF C=C1C[C@@H]2C=C(CC[C@](O)(C(C)C)/C=C/[C@@](C)(O)CC[C@@H]1O)C(=O)O2 96086060 LOIIZBXZZSSECJ-PJVKNAPTSA-N 350.455 2.414 30 1 FEEF in-vitro COc1ccc(Cl)cc1C#Cc1ccc(N2CCN(CCO)CC2)nc1 587908457 WOTUTJXEGLWTCG-UHFFFAOYSA-N 371.868 2.258 30 1 FEEF C#CCCOc1c(OC)cc(/C=C/C(=O)N2CCC=CC2=O)cc1OC 1857767545 SGZCRNMPNVSJOQ-MDZDMXLPSA-N 355.390 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2356751905 WZTFFOWLXLVKHV-YQOVRKAFSA-N 372.417 2.493 30 1 FEEF C=CC[C@@H](Nc1ccccc1)[C@]12C=C[C@H](O1)C(C(=O)OC)=C2C(=O)OC 4859435 OATWETZGGLHRAC-MDOVXXIYSA-N 355.390 2.393 30 1 FEEF C=C[C@]1(C)C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@H]2C[C@H](C)C1=O 2356452276 KUBCFNJIKFBWBC-IFUHQBGYSA-N 362.422 2.126 30 1 FEEF CCC1=C(C=CCCCC(C)=O)[C@H](O)[C@@H]2O[C@]23C[C@H](O)C(C)(C)O[C@H]13 2356867601 WTSHULBYFBRCMQ-JNIAIEOXSA-N 350.455 2.449 30 1 FEEF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1 587231010 LMNNKRWSNRJRJC-CABCVRRESA-N 351.410 2.343 30 1 FEEF NC(=S)N/N=C\c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 223815356 IBHSVWFYTVTZJW-ZDLGFXPLSA-N 358.448 2.045 30 1 FEEF O=C(/C=C/C#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)NO 13604337 VITAMFDLUUGKDU-FARCUNLSSA-N 360.366 2.040 30 1 FEEF C=C1C(=O)O[C@@H]2CC(CO)=C([C@H](C)CCCO)[C@@H](OC(=O)C(C)=CC)[C@H]12 2356379674 FCDRLRIIZKINNV-DGCUDZEOSA-N 364.438 2.063 30 1 FEEF C=CC/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O 6920255 LBETWFIWBSPGAC-UHFFFAOYSA-N 363.439 2.049 30 1 FEEF CO/N=C(\Cc1ccc(OC)c(Br)c1)C(=O)NCCS 30741071 KAHAQDFHCDFNOX-LFIBNONCSA-N 361.261 2.049 30 1 FEEF Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@]3(c3cc(C#N)ccc3F)CO2)cn1 223177694 LQXAVXUZXAHPSZ-FDQGKXFDSA-N 371.441 2.465 30 1 FEEF C=C1C(=O)O[C@@H]2C/C(C)=C\C(=O)C[C@@H](C)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H]12 103295040 ZQOKMZFGSMWPTI-LUHJMZGLSA-N 362.422 2.268 30 1 FEEF CC[C@@H](C)N1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O 28124666 GLIONGRWISBWIA-LZVRBXCZSA-N 356.403 2.156 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)[C@H](OC(=O)[C@H](C)CC)[C@@H](O)[C@@H]12 2356530782 KPDUWXZFODLKCA-JGRFCZEVSA-N 364.438 2.062 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)c3ccoc3)[C@@H]12 2356751247 WWQBWBDEAHIHFL-XILPYWAXSA-N 374.389 2.161 30 1 FEEF CNC(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 221162654 XTJXKAFCSLFWCV-CJNGLKHVSA-N 366.425 2.340 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)C=C[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 85677768 BZLSCTYZIPOOPI-VNPGZJKUSA-N 360.406 2.346 30 1 FEEF biogenic C[C@@H]1C(=O)C2=C([C@H]3OCO[C@@H]3C=C2)[C@](O)(c2ccc3c(c2)OCO3)[C@H]1C 238731413 VOGHWSDTSPLGNL-RBQPIFFESA-N 356.374 2.066 30 1 FEEF COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C 1857650928 SCUQARHCBDOWQY-KUHUBIRLSA-N 357.454 2.132 30 1 FEEF C[C@H]1CCC(/C=N/c2ccc([N+](=O)[O-])cc2)=C2NC=C(C(=O)O)C(=O)N21 100770688 NVIQFPDBPGRIJH-WBFHQNOSSA-N 356.338 2.091 30 1 FEEF CC(C)C[C@H](NC(=O)c1sccc1Br)C(=O)NCC#N 82065085 MMGJPHHKICSBJZ-JTQLQIEISA-N 358.261 2.295 30 1 FEEF CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@H](O)C[C@@H]2C/C(=C/COCC(=O)O)C[C@H]21 261074705 ARUGKOZUKWAXDS-RQGRUUDPSA-N 374.477 2.225 30 1 FEEF in-vitro NC(=S)N/N=C(/C[C@@H](C(=O)O)[C@H]1C=N[C@@H]2C=CC=C[C@H]12)c1ccccc1 169729470 VECNYLITNUMMOH-BNGRGRAWSA-N 368.462 2.126 30 1 FEEF CCOC(=O)[C@H](C#N)[C@@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1 3611273 MMZNADDZFWQHHX-PRHODGIISA-N 360.844 2.061 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@@H]1O)[C@H](C(=O)O)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]31C=O 257621171 XIYAYYIGCSWTQO-ZFMNDRJWSA-N 362.422 2.111 30 1 FEEF endogenous,in-man CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 85967576 OMMKXICLKWYTNA-FORWCCJISA-N 360.406 2.016 30 1 FEEF biogenic NS(=O)(=O)c1ccc(/N=C/[C@H]2C(=O)Nc3ccc4ncsc4c32)cc1 169685143 OPVFXMUETZOYIY-MBCCIFHSSA-N 372.431 2.382 30 1 FEEF C=C1C(=O)O[C@@H]2CC(CO)=CCCC(COC(=O)[C@H](C)[C@@H](C)O)=CC[C@H]12 2356608274 JTFXNPPZNWSQAJ-AXYPVASZSA-N 364.438 2.063 30 1 FEEF CCCCCCCC1=CC2=CC(=O)O[C@]2(C)[C@@](C)(O)[C@]1(O)C(=O)OC 2356701128 VHXMUQYFTZWCCK-IPMKNSEASA-N 352.427 2.184 30 1 FEEF C=C[C@@]1(C)CC[C@@H]2C(=C[C@H](O)[C@H]3[C@@]2(C)[C@H](O)CC[C@@]3(C)C(=O)O)[C@H]1O 96914701 MMGAEVFWMFHNFM-DIWKMMNCSA-N 350.455 2.119 30 1 FEEF Cn1ncc([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587889891 DWMUDFPTRXGUQT-UHFFFAOYSA-N 367.192 2.346 30 1 FEEF CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NO 13803862 UKLIIGXGTPSYBF-QGZVFWFLSA-N 373.434 2.034 30 1 FEEF C=C(C)[C@@H]1CC[C@]2(O)C(=O)O[C@H]3CC(C)=C[C@@]4(C=C(C)[C@@](O)(C1)O4)O[C@H]32 14969613 QDPDDMCNXBABDH-FDGFBPQASA-N 362.422 2.116 30 1 FEEF biogenic Cn1cc(Nc2nccc(-c3cnc(N4CCC[C@H]4C#N)c(C#N)c3)n2)cn1 221272412 KGBHFGYIQUOGQH-INIZCTEOSA-N 371.408 2.380 30 1 FEEF COCCN(CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12 169310679 KPKFBZFHTVBXOB-KRWDZBQOSA-N 352.438 2.198 30 1 FEEF N#CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 26675405 VZJJBNVSQUDXSY-KRWDZBQOSA-N 354.362 2.296 30 1 FEEF N/C(=N\N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccncc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endogenous,in-man CC[C@@H](N[C@H](C(=O)NO)[C@@H](C)O)c1ccc(C#Cc2ccccc2)cc1 1772590902 XPDOIAOHUJTRFS-YSGRDPCXSA-N 352.434 2.382 30 1 FEEF C=C(C)CCN1C/C(=C2/SC(=O)NC2=O)c2ccccc2S1(=O)=O 3630095 IHDJIHBKRQHJRD-OWBHPGMISA-N 364.448 2.351 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@H](OC(=O)C[C@@H](C)CO)[C@H]12 2356462691 AZJBNIAMAOUEAH-TWILYEHCSA-N 364.438 2.063 30 1 FEEF CCCNC(=O)[C@@H](Cc1cccc(C#N)c1)NC(=O)c1ccc(C#N)cc1 36389108 YQOJYHPJGISXRS-LJQANCHMSA-N 360.417 2.297 30 3 FEEF O=C(O)C1=CC(=Nc2cc(Cl)c3c(c2[N+](=O)[O-])NON3)C=CC1=O 263591804 ICMWFDTZTKLCIH-UHFFFAOYSA-N 350.674 2.155 30 3 FEEF C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccnc2)CC1)c1ccccc1 13729218 SDBWUNQKMGBEBA-XLIONFOSSA-N 363.465 2.141 30 1 FEEF C=CCOC(=O)N1CCc2c(c(=O)oc3c(C=O)c(OCOC)ccc23)C1 169347642 YTGZNBVXXCPOIX-UHFFFAOYSA-N 373.361 2.269 30 1 FEEF CCOC(=O)c1cc(C#N)nc(-c2cc(C(=O)OCC)cc(C#N)n2)c1 35653986 RQLCFHSAXLHVMS-UHFFFAOYSA-N 350.334 2.240 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]3(C)C[C@@H]12 15115728 MKEUEUUTTBUCBV-IANHLFLQSA-N 350.411 2.404 30 1 FEEF biogenic COCCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(C#N)cc1 82154427 WSRGGUWYSWLIOG-UHFFFAOYSA-N 365.437 2.382 30 1 FEEF COCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(C#N)cc1 82158853 WLFHPUWPXSRWNV-UHFFFAOYSA-N 367.453 2.484 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cnc(N2CCOCC2)nc1C(=O)O 587903662 WNYMHZDJWREDRE-UHFFFAOYSA-N 373.796 2.073 30 1 FEEF CC(C)=CC[C@@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)(C)O 1642676663 QXGSFYHEVYTYBT-HNDNADPKSA-N 364.438 2.206 30 1 FEEF N#Cc1c(N)n(-c2cccc(C(=O)O)c2)c(=O)c2cc([N+](=O)[O-])ccc12 1652635 RPKZMVGIMOHHOB-UHFFFAOYSA-N 350.290 2.051 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(COC(=O)[C@H](C)CC)CCC=C(CO)C(=O)C[C@@H]12 2356581260 QHGKREFYCJPLAM-PZPSRYQVSA-N 362.422 2.272 30 1 FEEF C=C[C@]1(C)C=C(C(=O)O)[C@]2(CC1)OC(=O)[C@H]1[C@@]2(C)[C@@H](O)CC[C@@]1(C)CO 2356627288 CWLQKGVWECQEPJ-FFUZVNMOSA-N 364.438 2.055 30 1 FEEF N#CCNC(=O)[C@@H](Cc1ccccc1C#N)NC(=O)OCc1ccccc1 82065728 DTKCXUZDWVBEOS-GOSISDBHSA-N 362.389 2.036 30 1 FEEF C=CCNc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O 13755815 IPOXGVVGQZDCEX-UHFFFAOYSA-N 367.430 2.012 30 1 FEEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC[C@@H](O)[C@@](C)(O)CCC2=O 2356605201 XKBRDBANUUJFAR-NXHHYCIDSA-N 366.454 2.057 30 1 FEEF N#Cc1cccc(CN[C@@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@@H]32)c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c1c(Cl)cccc1Cl)NO 49116649 PCXGOLKJYZHJAB-UHFFFAOYSA-N 362.213 2.499 30 1 FEEF N#Cc1cc(=N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]1 587887658 XIWSRZLVSZBMJP-UHFFFAOYSA-N 359.216 2.383 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(C(=O)O)n1 587889928 GINBYMSFZIMHDK-UHFFFAOYSA-N 364.188 2.192 30 1 FEEF Cc1cc2c(cc1O)[C@H]([C@H](C=O)c1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)C2 963556505 XJFZGDRVIBZMPJ-SOLBZPMBSA-N 370.361 2.232 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/COC(=O)CC(C)C)CC/C=C(/CO)C(=O)C[C@@H]12 13585302 PYXDBFWTGFQZMF-GLAVKHFGSA-N 362.422 2.272 30 1 FEEF CSC1=N[C@H]2[C@@H](N(C)C(=O)N2C)N1/N=C/C=C/c1ccccc1[N+](=O)[O-] 1857761556 MZBVODQTLZDIGS-PGXXLCFESA-N 374.426 2.278 30 1 FEEF CCCC/C(=N\NC(=N)N)c1cccc(/C(CCCC)=N/NC(=N)N)c1 27326155 DVOOZTQLLDSFAZ-DFEHQXHXSA-N 358.494 2.441 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(COC(=O)CC(C)C)CCC=C(CO)C(=O)C[C@H]12 2356743271 PYXDBFWTGFQZMF-SJLPKXTDSA-N 362.422 2.272 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=O)C[C@]3(C(C)C)O[C@]13C[C@@H](O)[C@H]2C 2356866308 WETJRZWHNALISL-NVXNTIHLSA-N 364.482 2.244 30 1 FEEF N#Cc1nc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2nc1C#N 587119256 RVYKDNORXUBUPW-UHFFFAOYSA-N 358.287 2.237 30 1 FEEF C=C[C@@]1(C)C[C@](O)([C@H](O)C(C)(C)O)Oc2c1c(=O)oc1cccc(C)c21 85944828 KXBAKXZOYFTMPG-YZGWKJHDSA-N 360.406 2.148 30 1 FEEF COC(=O)c1cccc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587435452 GOXBIAASOHEUJV-ZUOKHONESA-N 364.357 2.433 30 1 FEEF Cc1cc(N(C)Cc2nc3nc(C#N)c(C#N)nc3[nH]2)c([N+](=O)[O-])cc1F 587136178 CLAXKBBDUDCNQJ-UHFFFAOYSA-N 366.316 2.088 30 1 FEEF Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O 587885294 DUXGPPYMBXOPDU-UHFFFAOYSA-N 362.216 2.494 30 1 FEEF N#CC[C@@]1(c2cccc3c2OCCO3)NCCc2c(C(=O)O)cccc21 963131885 PCSXTPQQLYWXAU-HXUWFJFHSA-N 350.374 2.459 30 1 FEEF CN(C)Cc1ccc(CN2CCN(c3ccc(C(=O)NO)cc3)C2=O)cc1 205705836 AENRTCXZCSDUJZ-UHFFFAOYSA-N 368.437 2.309 30 1 FEEF C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@]21O3 101037591 NAMJXTOLLRLBNM-RXBWTVHKSA-N 355.390 2.401 30 1 FEEF CS(=O)(=O)NC1CCN([C@H](c2ccc(C#N)cc2)c2cccnc2)CC1 72184676 UKPHUEPNEOQMFK-LJQANCHMSA-N 370.478 2.056 30 1 FEEF CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](CS(=O)(=O)[C@H]2CC[C@H](C#N)C2)C1 261108217 HRRLZKHIEGDCQZ-XQLPTFJDSA-N 373.482 2.280 30 1 FEEF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc2N1 587124025 KONHUEVASWEZTM-LHLIQPBNSA-N 373.302 2.267 30 1 FEEF COc1ccc(S(=O)(=O)[C@H](CCc2ccccc2)CC(=O)NO)cc1 13782891 FCCDGLDMUDUABZ-QGZVFWFLSA-N 363.435 2.366 30 1 FEEF CC=C(C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)C[C@@H]3OC(=O)[C@]1(C)[C@@H]32 2356422030 CHVCBWJHQLHSFQ-QYISEWJZSA-N 362.422 2.260 30 1 FEEF C=CC[C@@]12CC(=O)[C@H](O)[C@@H]([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O 2356565013 LFYIBRUXUSDXMD-KNTHIRHMSA-N 360.406 2.031 30 1 FEEF CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C)C(=O)C=C2C=C(C(=O)O)OC=C2C1=O 2356741372 GIDMWMOVOCXADR-ZHYXMNDGSA-N 362.378 2.321 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@@]12O 238769082 YFMAUAHXFWNGGR-OIHXVOPMSA-N 362.422 2.124 30 1 FEEF CCCS(=O)(=O)N1CCC(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 586953561 UQOQZVCRCZTHDF-UHFFFAOYSA-N 357.439 2.225 30 1 FEEF O=C1C=C2O[C@]3(O)C[C@@H](O)c4c(O)cccc4C3=C2c2cccc(O)c21 13368995 XZSXKBHGZJIDBP-JLTOFOAXSA-N 350.326 2.245 30 1 FEEF biogenic N#Cc1cccc(-c2ccc3nc(C(=O)N[C@@H]4CCN(C#N)C4)cn3c2)c1 1857613709 MPAJMRDYWTXZHS-QGZVFWFLSA-N 356.389 2.158 30 1 FEEF CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C[C@@H]2CC(=O)C3=CCCNCCC[C@@]321 2356399266 RHNSVLZNRRBSJZ-OBZTUIKSSA-N 363.454 2.309 30 1 FEEF C=C1[C@H](O)[C@@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100781462 XIYAYYIGCSWTQO-XASFKZBDSA-N 362.422 2.111 30 1 FEEF endogenous,in-man C=C1C(=O)O[C@@H]2C=C(C)C(=O)C=C[C@](C)(O)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356420448 AXSMKFJOTFGINI-YLAKUSLOSA-N 360.406 2.189 30 1 FEEF CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N[C@H]3CCOC3)nc2)cc1 113409454 JNGAWHMFLKUMSE-QRWLVFNGSA-N 364.449 2.144 30 1 FEEF COc1cc(C[C@@H](C)NCC#N)c(OC)cc1I 26016425 AVLNTNJPZAAKTA-SECBINFHSA-N 360.195 2.353 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@@]12O 2356638847 TVWYACSJCITEIL-AXVVYFOYSA-N 362.422 2.124 30 1 FEEF Cc1ccc2c(c1)[C@]1(c3ccsc3CCN1C(N)=O)[C@H]([N+](=O)[O-])C2=O 962707939 IUNZDIKPLICFKX-NVXWUHKLSA-N 357.391 2.079 30 1 FEEF C=CC[C@@]12CC(=O)[C@H](O)[C@@H]([C@H](C)[C@H]1c1cc(OC)c3c(c1)OCO3)[C@H]2O 2356462352 OCBRHHMDESBRER-JABQYFCDSA-N 360.406 2.031 30 1 FEEF O=C1C2=C(NC(=S)N[C@H]2c2cccc(OCCO)c2)c2ccccc21 101466681 NUSGVFGBRJCICH-INIZCTEOSA-N 352.415 2.184 30 1 FEEF Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C\c2ccc([N+](=O)[O-])cc2)s1 64548481 NDQYASSOLQIEAZ-UUASQNMZSA-N 374.342 2.201 30 1 FEEF CCOC(=O)[C@H](C#N)[C@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1 3611268 MMZNADDZFWQHHX-PELKAZGASA-N 360.844 2.061 30 1 FEEF CO/N=C1/C(=O)N(CCCCCCC(=O)NO)c2ccc(Cl)cc21 103294329 LKTPOXVCRTYKKO-XDJHFCHBSA-N 353.806 2.493 30 1 FEEF O=C(/C=C/c1ccc(O)c(O)c1)C[C@H](Cc1ccc(O)c(O)c1)C(=O)O 238788381 FLOHMUHVWAXLJI-HJFNVNOESA-N 358.346 2.425 30 1 FEEF O=C[C@H]([C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21)[N+](=O)[O-] 962960647 SRJRTQCZFRRMAM-ZIAGYGMSSA-N 358.316 2.242 30 1 FEEF CC=CC(=O)[C@@]1(O)[C@@H](OC(=O)C(C)=CC)[C@@H]2OC(=O)[C@@H](C)[C@H]2CC[C@H]1C 2356765302 JJTAUBUHIJHGPA-ZOEYWUKQSA-N 364.438 2.348 30 1 FEEF C#C[C@@H]1CN(S(=O)(=O)C=C)CCN1Cc1ccc(OC(F)(F)F)cc1 618020187 CMUDARPTNUHFQR-CQSZACIVSA-N 374.384 2.178 30 1 FEEF CC1=C(C)C2=CC(=O)c3c(O)c(C[C@H](C)O)c(O)c(O)c3[C@@]2(C)CC1=O 14659970 RHZKGSAKRGMZTK-FHZGZLOMSA-N 358.390 2.416 30 1 FEEF biogenic Cc1sc2nc(-c3cccc([N+](=O)[O-])c3)c(/C=N/N=C(N)N)n2c1C 13005178 KOLTUMNXXAJFFX-CNHKJKLMSA-N 357.399 2.195 30 1 FEEF O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](CS)Cc1ccccc1 13735587 LWLBPGZDXISQPZ-WBVHZDCISA-N 359.447 2.293 30 1 FEEF COC1=CC=C/C(=C\NNC(=S)N[C@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@H]32)C1=O 169691269 XOMLECDFUIAPBX-ZMPDKPQXSA-N 357.479 2.109 30 1 FEEF C=C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccc2cccnc12 2356298890 IGNAXEUENHNMHX-HYVNUMGLSA-N 357.479 2.410 30 1 FEEF CC(C)C1=C(O)C(=O)C2=C(C=C3OC(=O)[C@]4(C)CC[C@H](O)C(=C2)[C@H]34)C1=O 2356338052 LIOHNCKMCBYMAR-PGICJIBASA-N 356.374 2.061 30 1 FEEF COC1=C/C(=C/NNC2=NC(=O)[C@@H](Cc3ccc(F)cc3)S2)C=CC1=O 13124895 UIQZXAMZXNMSPH-YBHKSSGVSA-N 373.409 2.014 30 3 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@@H]3C[C@@H]3C(=C)C[C@H](OC(=O)C3=C[C@H](OC)OC3)[C@H]12 2356322112 XFPZGEOIWPLKLK-SWAOIJHYSA-N 372.417 2.467 30 1 FEEF C[C@@H]1[C@H](O)C=C2C(=O)[C@@H]3O[C@]3(C)CC[C@@H]3O[C@]3(C)CC[C@@]1(C)[C@@]2(C)O 2356681744 FTVDKPGEDFWDPA-ODFSNZGESA-N 350.455 2.139 30 1 FEEF COC(=O)[C@H](CCCCNC(C)=O)[C@H]1C(=O)C[C@H]2C1=CC(=O)CC2(C)C 89456029 VINWJYXOFBHHFU-UWWQBHOKSA-N 363.454 2.213 30 1 FEEF CCOc1ccc(B(OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O)cn1 221635647 MSINXJFNHMSUJA-UHFFFAOYSA-N 367.295 2.308 30 1 FEEF CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CO)n1 587885401 GRXQRZFYKDNHGT-UHFFFAOYSA-N 366.248 2.413 30 1 FEEF O=C1NN=C(c2ccc(Br)cc2)/C(=N/Nc2ccccc2)C1=O 103216142 BZPRSCACXODOLQ-ZHZULCJRSA-N 371.194 2.320 30 1 FEEF C[C@@H]1CC/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2ncc(C(=O)O)c(=O)n21 38153710 GEOWXBCFHWIEKV-JREUJCCOSA-N 357.326 2.021 30 1 FEEF CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC=O)C1=O 73129410 PTIGCSWQFPHKFS-HXUWFJFHSA-N 363.417 2.312 30 1 FEEF C=C1C(=O)O[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@](O)(C(=O)/C=C/C)[C@@H](C)CC[C@H]12 40420531 WZMSNQSBWAAHTM-YYACAIMJSA-N 362.422 2.268 30 1 FEEF N=C(N)c1ccc(/N=C2\c3ccccc3CN2c2ccc(C(=N)N)nc2)cn1 299823147 KEYXQNPBTHCLCG-NHFJDJAPSA-N 370.420 2.143 30 1 FEEF CCNS(=O)(=O)c1cncc(C#Cc2cc(Cl)ccc2OC)c1 587918257 JFHRTMQOFDLOKE-UHFFFAOYSA-N 350.827 2.442 30 1 FEEF COC(=O)[C@@]12CO[C@@H](C(C)(C)C)N1C(=O)/C(=C(\C)Nc1ccccc1)C2=O 169310878 RCSPIHVDKKDDJG-ISEOZWQLSA-N 372.421 2.098 30 1 FEEF C#CCN1C(=O)[C@H](C)Oc2cc(F)c(N3C(=O)c4ccccc4C3=O)cc21 103296110 NPYQGYIBJANJFL-NSHDSACASA-N 364.332 2.373 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@H]12 257412062 DZTWAOVNNLDWNH-YLUSVFGLSA-N 362.422 2.221 30 1 FEEF endogenous,in-man CC(NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)=C1C=CC(=O)C=C1 7976523 CVYASRGFVTYTBZ-UHFFFAOYSA-N 374.466 2.142 30 3 FEEF COc1cc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc(OC)c1 100761414 HZOFFLLTBFASCA-XAMWDBKFSA-N 372.381 2.130 30 1 FEEF COc1ccc(S(=O)(=O)[C@H](CC(=O)NO)c2ccccc2)cc1OC 29392166 PLJQSRJZKINNOL-MRXNPFEDSA-N 365.407 2.114 30 1 FEEF CCOCCOC(=O)/C(O)=N/c1nc(-c2cc(COC)no2)cs1 27708247 BEVYLNCVTBRZPP-UHFFFAOYSA-N 355.372 2.112 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)C(C)=CC)[C@]1(O)CCC(=O)[C@@]21C 2356621055 NUZCELOKUVBKSF-KIJMYCCXSA-N 362.422 2.104 30 1 FEEF N#Cc1cccc(N2CCN(CCCn3ncc4ccccc4c3=O)CC2)c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c4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)O 40934886 ZGSZUQKKUBVUPV-DPVGDGHMSA-N 368.433 2.388 30 1 FEEF N#C[C@@H]1C[C@H](CN)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 222970331 WBDTWCPQCHHYKA-BFQNTYOBSA-N 356.405 2.304 30 1 FEEF CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO 95897867 AINXGCJTFTULJC-SLFFLAALSA-N 372.490 2.230 30 1 FEEF COC(=O)[C@H](Cc1ccc(OCC=C(C)C)cc1)N(O)C(=O)/C(C)=N/O 1857745270 RCHYEYQIAQKMMP-HUCUOGIVSA-N 364.398 2.184 30 1 FEEF Cc1ccc(S(=O)(=O)/N=C2\NC(=O)[C@@H](Cc3ccco3)S2)cc1 28888543 KNCZVVVIGSESQQ-CYBMUJFWSA-N 350.421 2.107 30 1 FEEF CCOC(=O)Cn1c(=O)c(N/N=C/c2ccccc2)nc2ccccc21 66112080 JVECYUDYHWLNIW-UDWIEESQSA-N 350.378 2.406 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3 2356615222 ZYOJIZKOPNSJGE-YXBKOPBNSA-N 350.411 2.260 30 1 FEEF N/C(=N\O)c1ccc(-c2cnc(-c3ccc(/C(N)=N\O)cn3)s2)cc1 49069410 SDMZWWMDXHCCED-UHFFFAOYSA-N 354.395 2.061 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CCC(=O)[C@@](C)(O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238741209 SZISADOJIZTCFZ-VQODYBGGSA-N 362.422 2.413 30 1 FEEF COC1=CC=C/C(=C\NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@@H]23)C1=O 261186337 XOMLECDFUIAPBX-UGVALMBNSA-N 357.479 2.109 30 3 FEEF CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)nc(C#N)c3[nH]2)CC1 586953380 UKGJFJOUCCYRJD-UHFFFAOYSA-N 367.862 2.402 30 1 FEEF CC(C)=CC[C@@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)(C)O 1642676666 QXGSFYHEVYTYBT-LDHDXPGBSA-N 364.438 2.206 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238738703 DZTWAOVNNLDWNH-XYLBXDRBSA-N 362.422 2.221 30 1 FEEF N#Cc1nc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2nc1C#N 587269998 UVLXVTLOEBPECQ-UHFFFAOYSA-N 360.337 2.272 30 1 FEEF CC1=CC(=O)[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)NN1 587794709 PJEWUDBODZLNQV-MFKHAEIXSA-N 354.223 2.113 30 1 FEEF Cc1ccc(S(=O)(=O)N/N=C2/CC(=O)CC(C)(C)C2)cc1[N+](=O)[O-] 13133059 IMFBOSVQRJEHON-WJDWOHSUSA-N 353.400 2.317 30 3 FEEF C/C(NCCOc1ccccc1)=C1/C(=O)[C@@H]2CO[C@@H](C(C)(C)C)N2C1=O 169310874 USWOHHCBVXQXAN-BGHBSNEPSA-N 358.438 2.111 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)CC[C@@]3(C)O[C@H]3[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238749203 GICGZKVUKMMVJE-DAQYVPLLSA-N 362.422 2.221 30 1 FEEF C=CCNC(=O)CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1C)C2 101262494 QIFPWJRVOITWQA-QZTJIDSGSA-N 355.482 2.413 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 238770609 KCUQHLKAVMLGGV-NXUVLGOXSA-N 362.422 2.221 30 1 FEEF C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OC[C@H]1F 95601492 ALKHFUPBQSAGMS-CRAIPNDOSA-N 371.347 2.243 30 1 FEEF in-vitro C/C=C/C#CC#C[C@H](OC(C)=O)[C@H](/C=C/CCCOC(C)=O)OC(C)=O 238745402 CTMZNCBZHMQSHZ-WZKYWDQCSA-N 360.406 2.332 30 1 FEEF Cc1cc2c(cc1O)[C@@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)N[C@H](C(=O)O)C2 963529249 WNSWNZPVUFZHSF-HNAYVOBHSA-N 367.361 2.343 30 1 FEEF Cc1c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc2[n+]1[O-] 150561110 CIXJMEVSKKITOB-MDZDMXLPSA-N 351.318 2.219 30 1 FEEF CCC#CC[C@H](C)[C@@H](O)C#C[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/COCC(=O)O)C[C@H]21 169692547 ARUGKOZUKWAXDS-SDTFGIOKSA-N 374.477 2.225 30 1 FEEF CCN1C(=O)N(CC)[C@H]2[C@@H]1NC(=O)N2/N=C/C=C/c1ccccc1[N+](=O)[O-] 1857640826 SJYUPBYYTUDNBV-LQNAFXEMSA-N 372.385 2.049 30 1 FEEF N#CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc(C(=O)O)c1 33998298 QVCKXCOJOQCUMR-INIZCTEOSA-N 357.410 2.093 30 1 FEEF N#CCNC(=O)[C@H](Cc1cccc(-c2cn[nH]c2)c1)NC(=O)c1ccccc1 43120412 LHNTYJBNWWBALU-IBGZPJMESA-N 373.416 2.058 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238746266 ONPQMJRPONUMCY-ZUVAQERTSA-N 362.422 2.268 30 1 FEEF NC(=S)NN/C=C1\C(=O)C(Br)=Cc2oc3c(c21)CCCC3 13122477 NAGUUXXXECUEJI-VURMDHGXSA-N 368.256 2.156 30 3 FEEF CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@@H](C#N)C3)n2)cc1 169706360 XVGBLRCJWRIMHH-UZLBHIALSA-N 373.460 2.293 30 1 FEEF Cc1nc2c(C(=O)N(C)CCC#N)cnn2c(O)c1Cc1ccc(F)cc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biogenic,in-vitro C[C@@H]1CCC/C1=N\N=C1/SCC(=O)N1CN1C(=O)c2ccccc2C1=O 653794408 KQNZDJIJTPGOFD-SXSYLROXSA-N 370.434 2.348 30 1 FEEF N#CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 2493039 LUVQTRCFXFHZML-IAGOWNOFSA-N 373.453 2.489 30 1 FEEF CCOc1c(S(=O)(=O)CC)ccc(C(=O)/C(=N\O)C(C)=O)c1Cl 103205320 ZWSIDOGGGXAWLO-VBKFSLOCSA-N 361.803 2.134 30 1 FEEF COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccn1 103916925 WCNHEEYFMIFCDG-GROYHEBESA-N 352.390 2.458 30 3 FEEF CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1CO 95864527 CFJIAGLDRQFYKD-DYXWJJEUSA-N 367.424 2.233 30 1 FEEF COCc1cccc(S(=O)(=O)N(CC(C)C)[C@@H](C(=O)NO)C(C)C)c1 263620437 FSBJQCWNYNVFOV-MRXNPFEDSA-N 372.487 2.010 30 1 FEEF in-vitro CC(=O)c1cccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c1 40466705 WFPIINAFLDJVCZ-XAMWDBKFSA-N 354.366 2.315 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1CC[C@H](OC(C)=O)[C@]12COC(C)=O 238746498 QXHYURXSMDXAIX-AXXAWNHVSA-N 350.411 2.405 30 1 FEEF C=C1C[C@H](OC(=O)/C(C)=C/C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2O[C@@](O)(C1)CC2=C 238778490 UCNWFQSIKSARTF-LZIGFEGRSA-N 360.406 2.346 30 1 FEEF Cc1nn(CO)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881676 WJBRKLQQRZVPFK-UHFFFAOYSA-N 366.248 2.467 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2nnnn12 587891049 LCJYLMJDQOJQRV-UHFFFAOYSA-N 360.204 2.142 30 1 FEEF N#Cc1cc2c([nH]c1=O)-c1c(ccn1S(=O)(=O)c1ccccc1)CC2 53313869 XHNSVZNBMDMNJE-UHFFFAOYSA-N 351.387 2.051 30 1 FEEF O=C(NC1CCCCCC1)[C@H]1C(=O)N(C2CCCCCC2)C(=O)/C1=N\O 102950107 JPAKCOLMLXTROK-UFPHYQGISA-N 363.458 2.363 30 1 FEEF COc1ccc(/C=N/OCC(=O)N2CCOCC2)cc1OC1CCCC1 45288147 WENFQBHOMWAROR-DEDYPNTBSA-N 362.426 2.226 30 1 FEEF N[C@H](N=O)c1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1 587261672 FOAJCNXGXABQGM-MRXNPFEDSA-N 367.321 2.343 30 1 FEEF C=C1NC=C(C#Cc2cc(Cl)ccc2OC)C(=O)N1Cc1nc(C)no1 587912864 QBNYVSWNJPIKEY-UHFFFAOYSA-N 370.796 2.379 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC[C@](C)(O)C[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356741286 ZOEAECGCSDCUAW-JGXPQKMXSA-N 366.454 2.284 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO 95897905 PTDGAOVNNFEWBY-FGTMMUONSA-N 360.410 2.105 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]3(C)C[C@H]12 238773465 AYWBYMKFSAKVSZ-PHUXLUFZSA-N 366.410 2.335 30 1 FEEF C=CC[C@@]12C[C@H](OC)C(=O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@H]2O 2356689807 ZNGCYIWYDPGZIU-FUOKBUSOSA-N 374.433 2.445 30 1 FEEF CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 84654480 FQGPBKNLANMDDC-UHFFFAOYSA-N 372.392 2.473 30 1 FEEF O=C(OC[C@]12O[C@H]1C=C[C@@H](O)[C@@H]2OC(=O)c1ccccc1)c1ccccc1 238746002 XKEJWQTWTQNLFP-WKRCXCSHSA-N 366.369 2.137 30 1 FEEF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2nc(C#N)c(C#N)nc2[nH]1 586964091 UNHNEKNHVCXNOJ-JTQLQIEISA-N 352.383 2.144 30 1 FEEF CC(C)c1ccc2c(c1)NC(=O)/C2=N\Nc1ccc(S(N)(=O)=O)cc1 13470469 KBESLZOGXNTNCJ-UHFFFAOYSA-N 358.423 2.226 30 1 FEEF Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@@H]5C=CC=C[C@@H]5N4)c3N)cc2[nH]1 205252126 TVFMZRKDNNYDFP-WFASDCNBSA-N 358.405 2.420 30 1 FEEF COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)cc3n2)cc1C#N 1857580178 QSLBBXJGBLZKIT-CQSZACIVSA-N 363.421 2.428 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)[C@@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 100780340 ZMXFZZOCUKHAFO-NHNMZDDDSA-N 364.438 2.301 30 1 FEEF endogenous,in-man O=C(CCCCc1cn(Cc2cccc(Br)c2)nn1)NO 96907675 MWEGBUHVLYGARE-UHFFFAOYSA-N 353.220 2.307 30 1 FEEF COC1=C/C(=C/NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@H]32)C=CC1=O 263591770 AMXQBWNFOUXLAL-XYKFUVPZSA-N 357.479 2.109 30 3 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@@]21COC(=O)[C@H](C)CC 2356400311 WQZVDEURJSICGV-FWLZWELJSA-N 364.438 2.184 30 1 FEEF CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2 85849331 IGDIDZAQDRAJRB-VIUKOLAESA-N 350.411 2.154 30 1 FEEF in-man C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](OC)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@H]2O 255214183 GWHUWINTBDUKLB-FPFLWLRSSA-N 373.537 2.446 30 1 FEEF Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)c(F)c2)nn1 299865033 SLVMDFGFHWCYDS-UHFFFAOYSA-N 362.372 2.367 30 1 FEEF CCOC(=O)c1nn(-c2ccc(Br)cn2)c(OCC)c1C#N 587877068 YKGRJKTXDDEALR-UHFFFAOYSA-N 365.187 2.477 30 1 FEEF N#Cc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1C#N 587262346 SMFDAUFFNGPQAA-UHFFFAOYSA-N 359.301 2.363 30 1 FEEF C=C1CC[C@@H]2[C@@](C)([C@H](O)[C@@H]1O)[C@H](OC(=O)/C(C)=C\C)C[C@@]2(O)C(C)C 1857751796 HKXDXRCIWKIDFM-WNWOCSRWSA-N 352.471 2.350 30 1 FEEF CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/CCN1CCOCC1 104702760 DUZFOJUMESSURB-KGENOOAVSA-N 360.433 2.421 30 1 FEEF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(C#N)cc1)C1=C(O)CCCC1=N2 100703153 PQZZWPQDZHAMLQ-HNNXBMFYSA-N 362.389 2.170 30 1 FEEF C=CCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26502596 MACFLQMXRAQFTF-HNNXBMFYSA-N 362.451 2.384 30 1 FEEF CC=CC(=O)[C@@]1(O)[C@@H](OC(=O)C(C)C)[C@H]2OC(=O)[C@@H](C)[C@H]2CC[C@H]1C 2356440779 PXWZPLIYSDTKAU-KSYLVVCPSA-N 352.427 2.038 30 1 FEEF C=C1[C@H]2C[C@H]3C(=O)[C@@]45CCC[C@](C)(C=O)[C@@H]4C[C@H](OC(C)=O)[C@@]3([C@@H]1O)[C@H]5C2 2356683549 ZDNMDOAXDDWWQL-IQZVMQCESA-N 372.461 2.456 30 1 FEEF CCC#CCOC(=O)[C@H](C)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82083717 CPJZIRSPBRKJPI-LBPRGKRZSA-N 370.361 2.145 30 1 FEEF C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)C[C@H]12 238768073 JTAFQMVMOSJGMB-RUFVYLNLSA-N 354.487 2.383 30 1 FEEF Oc1nc(O)c2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2n1 586910186 NCJUYNHRKQMUMP-AWEZNQCLSA-N 360.414 2.414 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@H](OCC)CC(=O)[C@@]3(C)[C@H](OC(C)=O)[C@H]12 13684997 CSYMRIFJBJCIHM-OQXDSQQISA-N 350.411 2.056 30 1 FEEF Cc1ccc(Oc2ccccc2S(=O)(=O)N[C@H](C=O)CC(=O)O)cc1 14949110 QNTJBVIFZUJKAX-ZDUSSCGKSA-N 363.391 2.108 30 1 FEEF CCOC(=O)C1=C(C)/C(=N/Nc2cc(C(=O)O)cc(C(=O)O)c2)N=C1C 103915269 YIUHVHCTSUOFEA-ZHZULCJRSA-N 359.338 2.163 30 3 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CCC(=O)[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12 238749610 SZISADOJIZTCFZ-KVUCKHNBSA-N 362.422 2.413 30 1 FEEF C/C(=N\NC(=S)NNC(=S)Nc1cccc(C)c1)c1ccccn1 13650658 JZMXLIKEIGRDLO-XDHOZWIPSA-N 358.496 2.480 30 1 FEEF C=C[C@@]1(C)C(=O)C=C([C@@](C)(O)COC(C)=O)C[C@H]1C(=C)COC(C)=O 38230629 FRTWIOLVDNAYBY-UHOSZYNNSA-N 350.411 2.128 30 1 FEEF CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 256297403 IGDIDZAQDRAJRB-PXRSPZQOSA-N 350.411 2.154 30 1 FEEF endogenous,in-man COCC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(C#N)c3)C2)C1 4237982 MYRCFUNGAMZTQY-LJQANCHMSA-N 356.426 2.051 30 1 FEEF CC(C)=C[C@@H]1O[C@]23C(=O)C=CC(=O)C2=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@]3(C)C1=O 2356450219 MCGMYKPCCJOWKR-DXIXJGDXSA-N 356.418 2.091 30 1 FEEF COCC(=O)N1[C@@H](C#N)[C@H](c2ccccc2-c2cccc(F)c2)[C@@H]1CO 95667928 CFKAQMWIPNRAAR-BJLQDIEVSA-N 354.381 2.318 30 1 FEEF CN1CN([C@H]2CC[C@H](CNCC#N)CC2)c2c(c[nH]c3nccc2-3)C1=O 1772631534 CBQUWKTZIMDXPX-HDJSIYSDSA-N 352.442 2.036 30 1 FEEF COc1cc([C@H]2c3c(cc(C)oc3=O)OC(=N)[C@@H]2C#N)cc2c1OCO2 169687536 KTKHLTUJKAUIRV-QMTHXVAHSA-N 354.318 2.327 30 1 FEEF CO/N=C\[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)/C=C\CC(=O)OC 7998383 IYRHQKRWPCBLGJ-HPWKVCSFSA-N 368.455 2.030 30 1 FEEF C#C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc2ccccc2c1 2356567199 LYYAOIOMXZYARV-AYOQOUSVSA-N 354.475 2.462 30 1 FEEF C=C[C@](C)(O)C[C@H](C=C(C)[C@@H](C[C@@H](O)C(=C)C)OC(C)=O)OC(C)=O 2356653639 NOIGSFFNIFVFAI-MANSERQUSA-N 354.443 2.450 30 1 FEEF COc1ccc(/C=N/Nc2nnc(-c3ncc([N+](=O)[O-])n3C)s2)cc1 28456165 ZARXKNIMTYUTCW-FRKPEAEDSA-N 359.371 2.301 30 1 FEEF O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1ccc([N+](=O)[O-])cc1 96934371 OPNYMINYSKZIGW-UWKDKTGGSA-N 363.373 2.391 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H]3C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 238741117 UEFXHAIMDIUNBV-VMZULIGXSA-N 362.422 2.221 30 1 FEEF C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 15256555 GWJAUARFGPKLMT-IYOSDPFYSA-N 364.438 2.046 30 1 FEEF endogenous,in-man COC1=C/C(=C\NNc2nncc(-c3ccc(OC)cc3)n2)C=CC1=O 15974347 QDTGTEOQSZCRCC-BENRWUELSA-N 351.366 2.017 30 3 FEEF C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 34329094 GPOAVBQIYNXVEA-JOJUGDBLSA-N 364.438 2.046 30 1 FEEF C=C1C(=O)C=C[C@]2(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]3C(=C)C(=O)O[C@@H]3[C@H]1O2 238763547 UEENBALCOGSNKE-LHAJNPLPSA-N 358.390 2.205 30 1 FEEF O=C(OC[C@]12O[C@H]1C=C[C@@H](O)[C@H]2OC(=O)c1ccccc1)c1ccccc1 238733563 XKEJWQTWTQNLFP-IIMDRIAPSA-N 366.369 2.137 30 1 FEEF C#CC[N@@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 253849497 CHIUBJVMSXBOBQ-MWEILKSESA-N 373.476 2.241 30 1 FEEF COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)[nH]ccc1=O 587888921 DLHFQGHVRKMIFR-UHFFFAOYSA-N 365.216 2.401 30 1 FEEF COCCOc1cc2ncnc(/N=C3/CC(=O)C(C)=CC3=O)c2cc1OC 169719130 CJAUNYDKQYFFAZ-HMAPJEAMSA-N 369.377 2.224 30 1 FEEF CO/N=C1/C(=O)N(CCCCCCC(=O)NO)c2c(Cl)cccc21 103294337 WHCQSZMDDYJEGQ-XMHGGMMESA-N 353.806 2.493 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C(=O)[C@@H]1O)C[C@H](O)[C@@H]2C 2356871353 XZWYSCRACMMLEU-DKBDVEQNSA-N 364.482 2.004 30 1 FEEF O=C(CCCC1CCN(S(=O)(=O)c2ccccc2Cl)CC1)NO 36475711 XUNUNGRNKHMOHY-UHFFFAOYSA-N 360.863 2.416 30 1 FEEF O=C1C(=O)C(c2ccc(O)c(O)c2)=C2OCOC2=C1c1ccc(O)cc1 14652662 SOSADZRYKGFEGS-UHFFFAOYSA-N 352.298 2.082 30 1 FEEF biogenic C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H](O)[C@H]12 238741362 BRTAZWLJPFLZAV-HZMMVFNBSA-N 362.422 2.221 30 1 FEEF O=C(/C=N/O)c1cnc(OCC2CCN(Cc3ccccc3)CC2)nc1 149695176 GVEKMFDYSIPXNN-WSDLNYQXSA-N 354.410 2.410 30 1 FEEF N#Cc1ccc(Cn2cncc2CN[C@H]2CCN(c3ccccn3)C2=O)cc1 13863860 SXHQWPNCWHXRFZ-IBGZPJMESA-N 372.432 2.093 30 1 FEEF C=C[C@]12C=CCN3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32 33807688 JTSSMMKHJYRYEG-DVWBAYGPSA-N 350.418 2.256 30 1 FEEF COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@@H]1CO1)C(=O)OC2 96911453 QHUFFWPCQKTQFN-SHBKCBRUSA-N 361.394 2.121 30 1 FEEF CC[C@H](C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@]1(C)[C@@H]32 257373956 ABLNQMKQYJQVRR-RRZPOPIOSA-N 362.422 2.260 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H]3O[C@@](O)(C=C3C)[C@H](C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 525915047 JHAIOJGPPHPVOU-DSSROWOTSA-N 362.422 2.426 30 1 FEEF biogenic C=CC[C@@]12C=C(OC)[C@@H](O)[C@@](OC)([C@H]1O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 685935774 UIDBVRIGTICCQN-AKSNVBLXSA-N 374.433 2.362 30 1 FEEF biogenic,in-vitro CCOC(=O)C1=C(C)NC(=O)N(CCC#N)[C@H]1c1cccc([N+](=O)[O-])c1 1772582196 UJZWRUVZABWVRL-HNNXBMFYSA-N 358.354 2.412 30 1 FEEF CC(C)=CC[C@@]12O[C@@]1(C(=O)OCCCCO)C(=O)c1ccccc1C2=O 2356356827 DTTHOXCGRDNGCY-VQTJNVASSA-N 358.390 2.245 30 1 FEEF CN1CC(=O)[C@@]2(C=C1CN)c1ccccc1CCN2[C@H](C#N)c1ccccc1 963208880 UNIQXRFZZWBKSK-FYYLOGMGSA-N 372.472 2.362 30 1 FEEF C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2oc1=O 19225540 OWEHSUAYDKGZPO-YBFXNURJSA-N 357.391 2.277 30 1 FEEF C/C1=C/CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)[C@]14CO[C@](O)([C@H]2O)[C@]31O4 169359659 HXNQQVVTMAHKGR-VWSBEDSKSA-N 350.455 2.298 30 1 FEEF CCNc1nc(Nc2cc(F)c(C(=O)N(C)C)cc2OC)ncc1C#N 169705144 HVAIKPQFYPAVJA-UHFFFAOYSA-N 358.377 2.373 30 1 FEEF CCCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@@H]1F 28868187 YUNIETNZFITZLK-HZPDHXFCSA-N 352.381 2.262 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238741201 DZTWAOVNNLDWNH-RWVBVMJWSA-N 362.422 2.221 30 1 FEEF COc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCOCC3)=C(O)C2)cc1 18114214 YPQALWDGDMCAOA-YIRPMMGJSA-N 358.438 2.357 30 1 FEEF C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 257512212 PIKIDCPJSQIMHW-PQRDJVBRSA-N 364.438 2.046 30 1 FEEF endogenous,in-man CCCCCCCCC1=C(OC)C(=O)C2=C(C1=O)S(=O)(=O)CCN2 101983665 FYGOCXBMUPLEKO-UHFFFAOYSA-N 355.456 2.019 30 1 FEEF C=C1C(=O)C=C[C@@]2(C)C[C@H](OC(=O)C(C)=CC)[C@@H]3C(=C)C(=O)O[C@H]3[C@H]1O2 2356696322 UEENBALCOGSNKE-ZTTBQOKTSA-N 358.390 2.205 30 1 FEEF C[C@H]1CC/C(=N\Nc2cccc([N+](=O)[O-])c2)c2ncc(C(=O)O)c(=O)n21 40641307 ILNPGJSJTXECRO-STJSCAKDSA-N 357.326 2.021 30 1 FEEF Nc1ncc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881427 LRFLMPWSPBAZPI-UHFFFAOYSA-N 362.216 2.494 30 1 FEEF C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)NC)cc1 13740756 XSQLHVPPXBBUPP-UHFFFAOYSA-N 360.417 2.231 30 1 FEEF COc1ccc(NC(=O)[C@H]2C(=O)N(O)C(=O)c3ccccc32)cc1Cl 103138311 OUDUVHZHNJCFBG-AWEZNQCLSA-N 360.753 2.443 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@H]1CC[C@]1(C)C(=O)C=C[C@@](C)(O)[C@@H]21 2356432985 RQPDOHFQRIVDLC-POLCOUMTSA-N 362.422 2.102 30 1 FEEF COCC(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H]1CO 95898119 FOQJOAXBJHEYGA-JAXLGGSGSA-N 366.461 2.444 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cc(C=O)cc(OC)c1OCC(N)=O 587901157 ZBNMFTMFDVXSRS-UHFFFAOYSA-N 373.792 2.434 30 1 FEEF C=CCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2 4758280 VIFBTZCBTMSKCE-UHFFFAOYSA-N 373.272 2.213 30 1 FEEF CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](C3=CC(=O)O[C@H]3O)C[C@@]12C 2356603651 ISKSLPVHTHRLNJ-YZRFIYLOSA-N 360.406 2.061 30 1 FEEF CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](O)C#C[Si](C)(C)C 195028454 CWBQQSBHYVWNKO-CVEARBPZSA-N 363.486 2.086 30 1 FEEF O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 253637689 XMQHZQOROCXRRA-DDHJBXDOSA-N 362.179 2.352 30 1 FEEF COc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)=CN2)c1C#N 14943530 SRVQDDAUGFLKHQ-UHFFFAOYSA-N 367.837 2.042 30 1 FEEF Cc1c([C@]2(C)c3ccsc3CCN2C(N)=O)cnc2c(C#N)cnn12 962695972 FARGEYHTSOEMRZ-KRWDZBQOSA-N 352.423 2.171 30 1 FEEF O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 169344896 XMQHZQOROCXRRA-USZNOCQGSA-N 362.179 2.352 30 1 FEEF CCCCCCCC1=C(CO)[C@@H](O)[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O 59085408 MNHSQSKPLNKVHR-KVIFHKNKSA-N 352.427 2.138 30 1 FEEF CCOC1=CC(=O)/C(=C2\NC(N)=NC=C2Oc2cccc(OC)c2)C=C1 100590796 XOXVNZQFIFWDGU-SDXDJHTJSA-N 353.378 2.147 30 3 FEEF C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)[C@@H](C)O)=C/C[C@H]12 28572360 JTFXNPPZNWSQAJ-ACIMIFOXSA-N 364.438 2.063 30 1 FEEF C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)[C@H]2C=C[C@H]1[C@H]3O 2356527364 DXZQQHDOMLKRCR-CUGURQRUSA-N 374.477 2.414 30 1 FEEF OC[C@@H](O)Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1 35825798 VATRAMGKPXJFAV-CULCSUMMSA-N 364.405 2.090 30 1 FEEF Cc1ccccc1N1C[C@]12C(=O)O[C@@H]1[C@H]2CC[C@H](C)[C@]2(O)C=CC(=O)[C@@]12C 72178922 WQPGRCRMOMNWDD-UQWVGHFNSA-N 367.445 2.402 30 1 FEEF C=C[C@]1(C)C(=O)C=C([C@@](C)(O)COC(C)=O)C[C@@H]1C(=C)COC(C)=O 14781689 FRTWIOLVDNAYBY-NEWSRXKRSA-N 350.411 2.128 30 1 FEEF biogenic COc1cc(C)c2c(=O)c3c(O)c4c(c(O)c3oc2c1)C(=O)C(O)=CC4=O 238735113 WHMNETKWDHZROP-UHFFFAOYSA-N 368.297 2.495 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H]3O[C@](O)(C=C(C)[C@@H](OC(=O)C(C)=CC)[C@H]12)C=C3C 2356725794 UBZKOZZMYYIBMY-RXFYRGCNSA-N 360.406 2.346 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c[n+]([O-])c1 587896739 XSSZUXNDNFFVPQ-UHFFFAOYSA-N 353.180 2.476 30 1 FEEF CN(Cc1nc2cc(Cl)cnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 586928958 NFMGYIJMERCBJD-UHFFFAOYSA-N 361.814 2.304 30 1 FEEF CN(Cc1nc2cc(Cl)ncc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 586928827 KVXXFOLRRNRCPN-UHFFFAOYSA-N 361.814 2.304 30 1 FEEF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(C#N)cc3[nH]2)cc1 586931341 ARDRBRBTHYZQAA-UHFFFAOYSA-N 356.407 2.264 30 1 FEEF CC1=CC(=O)[C@]2(CN1C)N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962692330 DUIAUVMRHTXCRR-XJKSGUPXSA-N 372.318 2.057 30 1 FEEF C#CCn1c(O)c(/N=N/C(=O)CNC(=O)c2cccnc2)c2ccccc21 5789064 DZOHQCJUAQYDHE-GHVJWSGMSA-N 361.361 2.415 30 1 FEEF CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CO)C1 1857576844 XVBDNZFFDFYDNJ-BOGDQOBQSA-N 362.422 2.414 30 1 FEEF CC1=CC(=O)C[C@](C)(O)[C@H]2[C@H](C(=O)[C@@H](C(C)C)CC1)[C@@](C)(O)C[C@H]2O 2356759705 NVOWAVFZSKWQPR-VFCLNGDNSA-N 352.471 2.026 30 1 FEEF COC(=O)c1ccc(-c2c(C#N)[n+]([O-])c3cc(Cl)ccc3[n+]2[O-])cc1 40897761 YTEILYMPDFYVHN-UHFFFAOYSA-N 355.737 2.085 30 1 FEEF CC(=O)OCC1=CO[C@H](OC(C)=O)[C@H]2[C@H](C=O)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 238777113 ZVURJQOCYPIWFA-BYGWRGPGSA-N 350.411 2.466 30 1 FEEF NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)[nH]1 587890848 WWCCGHRVQHALNY-UHFFFAOYSA-N 350.205 2.131 30 1 FEEF CC=CC#CC#C[C@@H](OC(C)=O)[C@@H](C=CCCCOC(C)=O)OC(C)=O 2356428249 CTMZNCBZHMQSHZ-WOJBJXKFSA-N 360.406 2.332 30 1 FEEF CC(C)=C[C@@H]1O[C@]23C(=O)C=CC(=O)C2=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@@]3(C)C1=O 2356450218 MCGMYKPCCJOWKR-DVUSVYQUSA-N 356.418 2.091 30 1 FEEF C=C(C)[C@@H]1CC(=O)C[C@@H]2O[C@](C)(CC2=O)C[C@@H]2C=C(C(=O)O2)[C@H](OC)C1 95587322 ZLDOSIVXLFPCIZ-JGVCLGMGSA-N 362.422 2.305 30 1 FEEF C=C1C[C@@H](OC(=O)C2=C[C@H](OC)OC2)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@@H]2C[C@H]12 523041934 XFPZGEOIWPLKLK-LSJKXOSMSA-N 372.417 2.467 30 1 FEEF biogenic C/N=C(\N)Nc1ccc(NC(=O)Nc2ccc(N/C(N)=N/C)cc2)cc1 169326019 AZTADWLFBKRCAX-UHFFFAOYSA-N 354.418 2.043 30 1 FEEF C=CCS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 28648953 AFGMPGZOXBNBRR-UHFFFAOYSA-N 356.425 2.191 30 1 FEEF C=C[C@]1(C)C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)C1=O 2356452278 KUBCFNJIKFBWBC-SHOKCAFBSA-N 362.422 2.126 30 1 FEEF Cc1[nH]c2cncnc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 72141468 SVUXYPQGFOQKQX-VOTSOKGWSA-N 351.410 2.117 30 1 FEEF C=C(C(=O)/C=C/C(C)(C)O)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)/C(C)=C/C 238744397 CXNVIVAMFRVJPD-METRKLPCSA-N 362.422 2.063 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)CC[C@](C)(O)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 523041411 ZOEAECGCSDCUAW-UMORYLANSA-N 366.454 2.284 30 1 FEEF biogenic CNC(=O)CNC(=O)c1ccc2cc(Oc3ccc(C#N)cc3)ccc2n1 584629345 DULLQIMVSNPIBZ-UHFFFAOYSA-N 360.373 2.375 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)=CC)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 2356461937 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C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@@H]3O[C@@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 85676670 DZTWAOVNNLDWNH-WEGJUIJESA-N 362.422 2.221 30 1 FEEF in-man C=C1C[C@H]2C=C(CC[C@@](O)(C(C)C)/C=C/[C@](C)(O)CC[C@@H]1O)C(=O)O2 238764820 LOIIZBXZZSSECJ-ZBWGTHRCSA-N 350.455 2.414 30 1 FEEF C/C1=C/C(=O)[C@@H](C(C)C)C[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@](C)(O)C(=O)CC1 169292420 XTTHQGPLWSYZEC-CKSGJXBTSA-N 366.454 2.367 30 1 FEEF O=C(CCc1cc(C(=O)NO)no1)Nc1nc(-c2ccccc2)cs1 1857580551 FAMQRYJFYVNUIF-UHFFFAOYSA-N 358.379 2.488 30 1 FEEF CN(CCC#N)C(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 2499895 NBPOEIRBDFHSJR-UHFFFAOYSA-N 363.483 2.143 30 1 FEEF CC(=O)OC[C@H]1O[C@@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O 7992542 DUCQSFOKMHSULU-RYQLBKOJSA-N 350.317 2.135 30 1 FEEF C=C1[C@H]2C[C@H](OC(C)=O)[C@@H](C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@H]1OC(C)=O 2356422303 LJYLKGAKLSAVRU-OZOZGBOOSA-N 350.411 2.260 30 1 FEEF C/N=c1\c(NS(=O)(=O)c2cccc(C#N)c2)c(O)oc2ccccc12 103532148 UPWMUKQCIJSYPN-CYVLTUHYSA-N 355.375 2.341 30 1 FEEF 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353.330 2.354 30 1 FEEF CC(=O)O[C@@H]1CC[C@@H]2C[C@]3(C=C[C@H]21)C=C1C(=O)C[C@@H](C[C@@H](O)CC3)OC1=O 2356378069 UZQGDDBSLRNAQX-XQQZGHFESA-N 374.433 2.246 30 1 FEEF C#CC(C)(C)NC(=O)C(Br)(Br)Br 103284697 KOVYPEWBMQDWLL-UHFFFAOYSA-N 361.859 2.353 30 1 FEEF C#CCN1C(=O)[C@@H](C)Oc2cc(F)c(N3C(=O)c4ccccc4C3=O)cc21 103296108 NPYQGYIBJANJFL-LLVKDONJSA-N 364.332 2.373 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 2356491371 ISMGLGABBJABGX-BDCPWUBGSA-N 362.422 2.221 30 1 FEEF CC(C)C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC#N 82065071 ZZNVOCQFPOEAGP-VIFPVBQESA-N 358.261 2.295 30 1 FEEF COCC(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95898007 QCLTUJIBAMFGJE-CMKODMSKSA-N 354.381 2.318 30 1 FEEF C[C@H]1[C@H](C)C[C@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@@]1(O)[C@H]24)OCO5 208249128 MMISHXZAVRHZLQ-RRROMXSMSA-N 372.373 2.071 30 1 FEEF CC[C@H](C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)C(C)=C[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 263592395 ABLNQMKQYJQVRR-HHGRYAPDSA-N 362.422 2.260 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](O)[C@H]21 2356461083 VGRUTNKBHIPCKO-AWOJCUAASA-N 360.406 2.022 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C1C(=O)[C@@H]3O[C@]3(C)[C@H]12 2356786858 SRISGSIMXLOZGT-DMOXTXLJSA-N 358.390 2.039 30 1 FEEF COC1=C[C@]23CCN(C)[C@]2(CCc2cc4c(c(OC)c23)OCO4)CC1=O 33830595 ABMKGESNDNGXSF-VQTJNVASSA-N 357.406 2.185 30 1 FEEF biogenic,in-vitro O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2ncnn2c1 587890650 AOPSTDHVGWLFQW-UHFFFAOYSA-N 360.204 2.142 30 1 FEEF N#C[C@@H](C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)C1CC1 169714957 HQBMIRGHILAZRB-LLVKDONJSA-N 360.313 2.037 30 1 FEEF CCC1=C(C)C(=O)c2cc3c(c(O)c2C1=O)C(=O)[C@](C)(O)C(=O)C3(C)C 14453167 MEDXQZJJCUKMBX-FQEVSTJZSA-N 356.374 2.292 30 1 FEEF biogenic,in-vivo O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]nc1C(=O)O 587880016 BMTMRFGBGWTIQC-UHFFFAOYSA-N 352.177 2.125 30 1 FEEF CN(C)[C@H]1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 205787364 OEJAFJGBRHBOQJ-ZDUSSCGKSA-N 371.462 2.027 30 1 FEEF O=C(NO)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 1857609500 ZJXBYJKLGRSUOH-ROUUACIJSA-N 352.365 2.144 30 1 FEEF O=C1C=C[C@]2(O[C@H]3c4c2ccc(O)c4C(=O)C[C@H]3O)c2cccc(O)c21 2356618683 CUCGWOIZXKTFMJ-YSGRDPCXSA-N 350.326 2.113 30 1 FEEF C=C1C[C@@H](C[C@]2(C)O[C@@H]2COc2ccc3ccc(=O)oc3c2O)OC1=O 15212358 RYBFLVMGRQCAQI-CFZJUORYSA-N 358.346 2.297 30 1 FEEF biogenic,in-vitro C[C@@H]1[C@H]2C[C@@]34COC(=O)[C@H]3C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@@H](c1ccoc1)O[C@H]3O2 95914493 CYIQXXCGDFOHBI-BPWVFOEISA-N 358.390 2.439 30 1 FEEF biogenic,in-vitro O=C1C=C/C(=C2/CSc3nnc(Cc4ccccc4F)n3N2)C(O)=C1 103993888 QPJZZFUXVHSION-WYMLVPIESA-N 356.382 2.492 30 3 FEEF C[n+]1c(-c2ccc(/C=C/C=N/NC3=NCCCN3)cc2)cn2ccccc21 26832591 OADGPSODIZUZPB-UNURKUBWSA-N 359.457 2.369 30 1 FEEF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 33650320 IGDIDZAQDRAJRB-MGYGNFHQSA-N 350.411 2.154 30 1 FEEF endogenous,in-man CC1=CC2=C(C[C@H](C)C3=CC(=O)C[C@H](C)O3)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 1772608727 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362.408 2.476 30 1 FEEF CC(C)[C@H]1C[C@@]2(C=C3Nc4ccccc4C3=O)NC(=O)[C@@]13CCCN3C2=O 2356328477 VUYPQWOUMOQTJW-PUCZYUMASA-N 365.433 2.084 30 1 FEEF C=C(C)[C@@H]1C[C@@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C 100772884 MFJWBSPRMQOETE-ZGEDZEBPSA-N 360.450 2.298 30 1 FEEF endogenous,in-man O=C(OC[C@]12O[C@H]1C=C[C@@H](OC(=O)c1ccccc1)[C@@H]2O)c1ccccc1 105491839 BHNSEWKVMCNSGO-WKRCXCSHSA-N 366.369 2.137 30 1 FEEF C#C[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@@H]3[C@H](OC)C[C@@]21C 2356680545 LQMBBJSVJDBNNB-MHFCEHIXSA-N 372.461 2.217 30 1 FEEF CN1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 95875613 DBDSPFKQKXGBRZ-YPAWHYETSA-N 368.521 2.198 30 1 FEEF C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](O)CC(=O)[C@@]3(COC(=O)CC(C)C)C[C@H]12 238775846 ZCBGWTXYDVFNMY-KKMNLOHUSA-N 364.438 2.040 30 1 FEEF C[C@@H](C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccs1 10450264 HSGXWCHWVGETLH-JTQLQIEISA-N 374.871 2.486 30 1 FEEF CN(C)CCCNc1cc2c(cc1C#N)[n+]([O-])c1cc(Cl)ccc1[n+]2[O-] 100896302 DPMMXHKQCJPXBA-UHFFFAOYSA-N 371.828 2.148 30 1 FEEF CCCCCCOc1ccc(COC2=C(O)O[C@@H]([C@H](O)CO)C2=O)cc1 101350509 ZLIAMYFYUMZXDC-WBVHZDCISA-N 366.410 2.211 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C(=O)[C@@H]1O)C[C@H](O)[C@H]2C 2356871356 XZWYSCRACMMLEU-UOYXUKFLSA-N 364.482 2.004 30 1 FEEF Cc1[nH]ncc1-c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 219296967 UAZOLMHPMQIHBG-RCJHGTSTSA-N 367.428 2.216 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 523041527 JRVXBSMCUQHDNS-GTMGQRNESA-N 364.438 2.060 30 1 FEEF biogenic C/C1=C/C(=O)C[C@@](C)(O)[C@H]2[C@H](O)C[C@](C)(O)[C@@H]2C(=O)[C@H](C(C)C)CC1 5132412 NVOWAVFZSKWQPR-DYKTZABPSA-N 352.471 2.026 30 1 FEEF N#Cc1ccc(-c2ccc3nc(C(=O)N[C@@H]4CCN(C#N)C4)cn3c2)cc1 1857560497 WYKHIWCVNQIOJE-QGZVFWFLSA-N 356.389 2.158 30 1 FEEF CC(=O)OC[C@@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 100823390 IGDIDZAQDRAJRB-MJJLTSLDSA-N 350.411 2.154 30 1 FEEF endogenous,in-man CC(=O)O[C@@H]1C=CC(=O)O[C@@H](C)CCC(=O)C=CC(=O)O[C@H](C)CC1 2356658522 UXRNECNLNMQCRR-ZENOOKHLSA-N 352.383 2.037 30 1 FEEF O=C(CCCCc1cn(Cc2ccccc2Br)nn1)NO 96907690 SPFWXZLXTXXJDK-UHFFFAOYSA-N 353.220 2.307 30 1 FEEF COC1=C(C(C)C)[C@@H](O)C2=C([C@@H]1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@]2(O)C=O 95099600 SYKGLRRSHYGSMA-JXCHDGQWSA-N 364.482 2.351 30 1 FEEF biogenic,in-vitro C/C=C(/C)C(=O)O[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2CC[C@H](C)[C@@]1(O)C(=O)/C=C/C 169643569 JJTAUBUHIJHGPA-XCGNFZCPSA-N 364.438 2.348 30 1 FEEF COC1=CCC[C@H]2[C@](CO)(CCC(=CCO)CO)[C@@H](C)C[C@@]2(C=O)C1 2356329929 NETVPTGIEMOTDY-LDTOTXGLSA-N 352.471 2.212 30 1 FEEF CC(C)C(=O)O[C@@H]1[C@]2(C)[C@H](C)CC[C@@H]3O[C@@]32C[C@]23OC(=O)[C@@H](C)[C@@]12O3 2356735481 BTKGXQJTMYPRGZ-BIAKVYRMSA-N 350.411 2.190 30 1 FEEF C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)OC)[C@@H]1C[C@@H]3O 72138380 QRZRYFAMPKMZQR-OEEATKEVSA-N 362.466 2.249 30 3 FEEF COc1ccc(CNCc2nc3cc(/C=C/C(=O)NO)ccc3n2C)cc1 38361297 QQCGTHWTWNTKKA-UXBLZVDNSA-N 366.421 2.390 30 1 FEEF N#C[C@@H]1CCC2(C[C@H]1n1cc(C(N)=O)c(Nc3ccccc3)n1)OCCO2 218555281 GOYVGGAPXFQVDR-XJKSGUPXSA-N 367.409 2.333 30 1 FEEF C/C=C(/C)C(=O)O[C@H]1[C@@H]2O[C@@]2(C)CCC=C(C)C[C@@H]2OC(=O)[C@@](C)(O)[C@H]21 1857632179 MAEDRPNZCDTTRI-NYDXLECLSA-N 364.438 2.445 30 1 FEEF COc1ccc(NC(=O)C2=C/C(=C3/C=C(C)C(C)=CC3=O)NN2)c(OC)c1 103917381 NYHYCPMLMBHATR-JQIJEIRASA-N 367.405 2.363 30 3 FEEF Cc1cn2c(/C=N\N=C(N)N)c(-c3ccc(F)c([N+](=O)[O-])c3)nc2s1 73140766 HWYSHOTVYYFXKC-DVZOWYKESA-N 361.362 2.026 30 1 FEEF Cn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)cccc21 199573263 NBRHWHDAXPAUCR-QGZVFWFLSA-N 361.449 2.187 30 1 FEEF Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C=O 587887623 VPMYHJNIEWGZGO-UHFFFAOYSA-N 362.216 2.494 30 1 FEEF CC1(C)OC(=O)C(/C=N/[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)=C(O)O1 6498228 QZSNBMFMHHOOEQ-IEEVUCOHSA-N 358.350 2.314 30 1 FEEF C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@@]12O3 101037592 NAMJXTOLLRLBNM-DRCYAFTPSA-N 355.390 2.401 30 1 FEEF CC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@]2(CO2)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C 2356612074 SZSNPNCTSHASFJ-IZUCJSAUSA-N 362.422 2.008 30 1 FEEF C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@H](O)C(CO)=CC2=O 85560409 ZJZYSAJQOPJREK-MWQHCLGASA-N 374.477 2.354 30 1 FEEF O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1cccc([N+](=O)[O-])c1 96934341 FHPJRDARYLKHRJ-UWKDKTGGSA-N 363.373 2.391 30 1 FEEF CN1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 95875612 DBDSPFKQKXGBRZ-FDFHNCONSA-N 368.521 2.198 30 1 FEEF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc(N)c1N 587885474 KDBYXGPNFQJEHV-UHFFFAOYSA-N 363.248 2.572 30 1 FEEF CNC[C@@H](O)CN1CCc2c(cccc2OCc2ccc(C#N)cc2)C1 1857586462 ZKXMFUDCKXVBTF-LJQANCHMSA-N 351.450 2.076 30 1 FEEF CCCS(=O)(=O)Cc1ccccc1C#CCC[C@H]1OC(O)=C(O)C1=O 100916116 USXVYUUGRRMPDD-OAHLLOKOSA-N 364.419 2.396 30 1 FEEF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1ncn2ccccc12 28871169 GGOBUVOABVKONT-VCHYOVAHSA-N 373.394 2.206 30 1 FEEF C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC=C(C(=O)CO)[C@]3(C)C[C@H](O)[C@@]12F 2356651616 UAEUTSQWOUBCLN-NYQSUMESSA-N 360.425 2.455 30 1 FEEF N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2O[C@H]2CCNC2)cn1 43059098 XWBVWQBBHHJLKT-LBPRGKRZSA-N 358.789 2.386 30 1 FEEF CS(=O)(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1C#N 95897909 PTDGAOVNNFEWBY-RCCFBDPRSA-N 360.410 2.105 30 1 FEEF CCCCCCCN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1 34633882 RNJFMSDPKZYZDL-UHFFFAOYSA-N 360.414 2.453 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 85676659 DZTWAOVNNLDWNH-KROWUPQCSA-N 362.422 2.221 30 1 FEEF in-man N#CCNC(=O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1 146218687 NWHYMMYRRAHVQK-UHFFFAOYSA-N 364.430 2.262 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)[C@@](C)(O)[C@H](C)O)[C@@H]12 238779287 KVJTZBSGBYRUOR-CYBHVJCNSA-N 364.438 2.204 30 1 FEEF C=CCN1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@H]2c1ccc(Br)cc1 100082744 KETDNEGDIAQTDR-FICVDOATSA-N 371.300 2.047 30 1 FEEF C=C(C)[C@@]12CC#C[C@H](NC(=N)NC)C[C@]3(O)CC[C@H]([C@H]3C1)[C@@](C)(O)CC2 2356773851 KEHUZRMFADSZNY-VLWQACTDSA-N 359.514 2.151 30 1 FEEF CCc1ncnc(N2CCC(O)(C(C)C)CC2)c1C#Cc1ccc(N)nc1 72316387 KFBFILUFBJUNRT-UHFFFAOYSA-N 365.481 2.403 30 1 FEEF C=C1[C@H]2CC[C@]3([C@H]1O)[C@H](O)C[C@@H]1[C@@]4(CCC[C@@]1(C)CN(CC=O)C4)[C@H]3C2 238759609 RFWLUFWNDMEYFX-QDALDZMESA-N 359.510 2.392 30 1 FEEF CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@H]2C)nc1 95587155 UAOZWGPKKJVBSQ-BUXKBTBVSA-N 370.840 2.453 30 1 FEEF N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@@H]3CCCCO3)nn2)CC1 95562482 LETHELOXLCIRTK-LSDHHAIUSA-N 357.439 2.392 30 1 FEEF CN(C)CCCNc1c(C#N)n(O)c2cc(C(F)(F)F)ccc2[n+]1=O 377808478 CDVUJJVHIYHCFL-UHFFFAOYSA-N 356.328 2.047 30 1 FEEF CCS(=O)(=O)NCCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 586942586 OAWAHSDBJZSZHY-UHFFFAOYSA-N 360.361 2.325 30 1 FEEF CCS(=O)(=O)NCCCc1nc2cc(C#N)cc(Br)c2[nH]1 586942430 LACGQHKUQSRSLM-UHFFFAOYSA-N 371.260 2.069 30 1 FEEF CC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2[C@H](O)[C@H]1O 87529265 VRYBZCIONJZZPL-LPRVLWEOSA-N 372.373 2.265 30 1 FEEF in-vitro CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N 95871655 YAVSIOSUTYBUSS-KSZLIROESA-N 360.410 2.105 30 1 FEEF CC(C)[C@@H]1[C@H](O)C(=O)C2=C(O)C3=C(C(=O)O)[C@H](O)CC[C@@]3(C)CC[C@]21C 2356408649 LLMHFPULZDGBHG-WIXNCHKASA-N 364.438 2.357 30 1 FEEF O=C1C2=C(NC(=S)N[C@@H]2c2cccc(OCCO)c2)c2ccccc21 101466684 NUSGVFGBRJCICH-MRXNPFEDSA-N 352.415 2.184 30 1 FEEF C=CC[C@@]12C=C(OC)[C@H](O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@H]2O 2356493462 UIDBVRIGTICCQN-YYUFPBMLSA-N 374.433 2.362 30 1 FEEF C=C(C)[C@@]12CC#C[C@H](NC(=N)NC)C[C@]3(O)CC[C@H]([C@H]3C1)[C@](C)(O)CC2 2356773850 KEHUZRMFADSZNY-GQENOEBFSA-N 359.514 2.151 30 1 FEEF Cc1ncccc1[C@H](C#N)N1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 13833326 HEHIASJYLABZLO-UXHICEINSA-N 363.465 2.189 30 1 FEEF C=C(C)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)[C@]3(C[C@H](C)O3)[C@@H]21 2356288093 WBIAXVPYFSCEHZ-PGKUOJCVSA-N 374.433 2.077 30 1 FEEF C=C1CC[C@@]2(C)[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)OC[C@H]1O 59587356 CZHGVFJOLGCRFM-HSSNPFOKSA-N 364.482 2.353 30 1 FEEF biogenic,in-vitro N#CCNC(=O)[C@@H](CCSc1ccccn1)NC(=O)c1ccccc1 82064828 QPHXBAWESRVXIW-OAHLLOKOSA-N 354.435 2.002 30 1 FEEF CN[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 221884130 ZJVAPWGNXJYTTE-WPGHFRTFSA-N 356.405 2.317 30 1 FEEF CC1(C)Oc2c(O)cc(C=CC(=O)c3ccc(O)cc3O)cc2[C@@H](O)[C@H]1O 2356392248 VRYBZCIONJZZPL-IEBWSBKVSA-N 372.373 2.265 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC[C@](C)(O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356741285 ZOEAECGCSDCUAW-GGRHHSDWSA-N 366.454 2.284 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]1CO 95898174 YERKJFOBGVBJDV-FBYXPACISA-N 368.458 2.469 30 1 FEEF O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)[C@H](CS)Cc1ccccc1 26022058 LWLBPGZDXISQPZ-DOTOQJQBSA-N 359.447 2.293 30 1 FEEF C[C@@H]1C[C@@H](O)[C@]2(C)[C@]3(C)O[C@@H]3CC[C@]2(O)[C@@]12C[C@H](c1ccoc1)OC2=O 238785715 QJLBRKYSKXNGCM-MILQHITDSA-N 362.422 2.343 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(C#CCO)c1 587888158 HCGSLBMVFQHEHG-UHFFFAOYSA-N 373.239 2.443 30 1 FEEF COC1=C(O)C2=C3O[C@@H](C)C(C)(C)[C@@]3(O)C(=O)c3c(C)cc(O)c(c32)C1=O 2356327738 HMMFFOZWOALJDZ-FFVOIRBGSA-N 372.373 2.396 30 1 FEEF C=CCOc1ccccc1OCC(=O)NCCNC[C@@H](O)c1ccccc1 40632152 PZIVLOFLWBFDIS-GOSISDBHSA-N 370.449 2.070 30 1 FEEF CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)[C@@H](C#N)C1 222975038 DKVUTGLTXOUOQO-ZLDLUXBVSA-N 371.420 2.055 30 1 FEEF Cc1ccc(-c2ccccc2[C@@H]2[C@H](C#N)N(S(C)(=O)=O)[C@H]2CO)cc1 95797340 ZWDUJUWQWMDIHH-GBESFXJTSA-N 356.447 2.274 30 1 FEEF CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@H](O)C[C@@H]2C/C(=C\COCC(=O)O)C[C@H]21 261074708 ARUGKOZUKWAXDS-SSSZOTPASA-N 374.477 2.225 30 1 FEEF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@](C=O)(c1ccc(N3CCOCC3)cc1)O2 587401678 WEPOJMMLPZWSIM-NRFANRHFSA-N 366.417 2.473 30 1 FEEF COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587806247 HCKSDMOZBZZGRW-NZFNHWASSA-N 356.191 2.405 30 1 FEEF 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Cc1cc(F)cc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 26152239 IKURPKQPWBSAQJ-UHFFFAOYSA-N 350.404 2.358 30 1 FEEF Cc1noc(-c2ccccc2/C=N/OCCN2CCC[C@@H](C(=O)O)C2)n1 1857582469 INVRNDREEPVZKX-SKCQWOFPSA-N 358.398 2.192 30 1 FEEF COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)[C@H]1c1ccco1 104009273 PPJABTMPYFRBKL-IBOXJLQUSA-N 357.362 2.356 30 3 FEEF CCO[P@](=O)(c1ccccc1)N1Cc2ccccc2C[C@@H]1C(=O)NO 28013492 MXGYLPKHTGTZKG-CRICUBBOSA-N 360.350 2.474 30 1 FEEF COC(=O)[C@]1(c2cccc(OCCc3ccccc3)c2)C[C@H]1C(=O)NO 29135308 VZOJUACXRRBOTB-PXNSSMCTSA-N 355.390 2.244 30 1 FEEF COC[C@@]1(O)CC[C@@H]2C1=C[C@@H]1C(=C(C(C)C)C(=O)[C@]1(C)O)C[C@H](O)[C@@H]2C 137627396 XADRPXRDEQKIKB-VJYSTCJDSA-N 364.482 2.004 30 1 FEEF C[C@@H](C(=O)NO)N1CCN(c2cccc(OCc3ccccc3)c2)C1=O 40394568 UAJWEWRZUVMODN-AWEZNQCLSA-N 355.394 2.402 30 1 FEEF CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO 95897903 PTDGAOVNNFEWBY-OKZBNKHCSA-N 360.410 2.105 30 1 FEEF O=C(/C=C1\NC[C@H]2c3ccccc3CCN2C1=O)c1ccccc1[N+](=O)[O-] 96934346 FWNSNTKOAGZVCS-QMJOVRGKSA-N 363.373 2.391 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)[C@@]1(C)O[C@H]1C)CC(C)=C1C(=O)C=C(C)[C@H]12 238742764 SNZRAKOFDSGBRF-IIEVAZOJSA-N 358.390 2.039 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1CO 95866642 YAVSIOSUTYBUSS-SQNIBIBYSA-N 360.410 2.105 30 1 FEEF COc1cc(/C=C/C(=O)[C@@]2(CCN3CCCC3)CCOC2=O)ccc1O 299835928 ZWLKLWWSBWVQSV-ZEZYUPADSA-N 359.422 2.402 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc2ncnn12 587891167 QVDNBOCUQBNTRT-UHFFFAOYSA-N 360.204 2.142 30 1 FEEF Cc1ncccc1[C@@H](C#N)N1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 13833327 HEHIASJYLABZLO-VQTJNVASSA-N 363.465 2.189 30 1 FEEF CC[C@H](C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@]2(O)[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356550010 AFXFTKGOFINZCJ-WPRXPHQISA-N 362.422 2.102 30 1 FEEF CCCCCC[C@H](O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO 14612880 FRMSDVSQWDGNEK-WMZOPIPTSA-N 374.522 2.155 30 1 FEEF biogenic C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2ccc(F)cc2)n1 299863707 PPAFHVVXVBNYNY-UHFFFAOYSA-N 358.427 2.040 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cncc(C(=O)N2CCNCC2)c1 587907850 HFRNIVXDUWHDTD-UHFFFAOYSA-N 355.825 2.189 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1CC(=O)[C@H](C)CCC[C@@](C)(O)[C@@H]2OC(=O)/C(C)=C\C 13338245 FPXHAHZGQPOGBX-AZLIWFLZSA-N 364.438 2.492 30 1 FEEF CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(C#Cc3cccnc3)cc2)[C@H]1CO 1857743863 XCZOEACUAYUWLQ-NJYVYQBISA-N 374.444 2.253 30 1 FEEF COC(=O)[C@]1(c2cccc(OCc3cccc(F)c3)c2)C[C@H]1C(=O)NO 29135314 IORRFRJDHULMSQ-LPHOPBHVSA-N 359.353 2.341 30 1 FEEF C=C[C@]12C[C@H](OC(=O)C(C)=CC)[C@@H]3C(=C)C(=O)O[C@@H]3[C@H]1C(=C)COC2=O 2356506001 WSJQJFJGCHEPNW-YTKSKTJISA-N 358.390 2.268 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)CNC2=O 587887774 AACYBWCDLXAQBM-UHFFFAOYSA-N 374.227 2.342 30 1 FEEF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 586951125 ILFATJJPZGQYAI-UHFFFAOYSA-N 358.408 2.110 30 1 FEEF C=C1[C@H]2C[C@@]3(C[C@@H]4[C@H]5[C@@]6(C)CC[C@H](O)[C@@]5([C@H]3CC2=O)[C@@H]4N(CC)C6)[C@H]1O 2356505423 DZSDMABPEQWYGR-FONRODSJSA-N 357.494 2.000 30 1 FEEF C[C@@H]1[C@H](O)C=C2C(=O)[C@@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@]1(C)[C@]2(C)O 2356681742 FTVDKPGEDFWDPA-LGSXPAJJSA-N 350.455 2.139 30 1 FEEF Cc1cc(C)n2nc(/C(O)=N/S(=O)(=O)c3ccccc3Cl)nc2n1 48576305 CZYIXVHBAYBUSF-UHFFFAOYSA-N 365.802 2.088 30 1 FEEF C=CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82208458 MFRAMRGAKKQWDD-MRXNPFEDSA-N 364.405 2.416 30 1 FEEF C=CCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OCCO)CN(C)[C@@H]1C2 169312736 CUEDKHZMFQFZOB-SZVBFZGTSA-N 354.450 2.323 30 1 FEEF CC(C)(O)[C@@H](O)Cc1c(O)ccc(C(=O)C=Cc2ccc(O)cc2)c1O 2356487908 QZJFVTLIVWFNNF-SFHVURJKSA-N 358.390 2.374 30 1 FEEF C=C1CO[C@@H]2C=C(C)CC[C@H](O)[C@](C)(O)CC=C[C@](C)(O)CC[C@@]12O 2356577777 QWQCCBLIKLMUJQ-PXTPFGJHSA-N 352.471 2.002 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@]1(C)[C@H]2[C@@H](OC)CC[C@H]1O 2356617463 DTBOAACTTLIOGS-GZGZKKNKSA-N 364.438 2.158 30 1 FEEF CCCCCCCCCCC(=O)COC1=C(O)C(=O)O[C@@H]1[C@H](O)CO 43219398 SPKOJOMVUIWVAV-GDBMZVCRSA-N 358.431 2.151 30 1 FEEF NC(=O)c1cccnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587888877 CCFGYECPJIXUTI-UHFFFAOYSA-N 362.216 2.198 30 1 FEEF CC(C)NS(=O)(=O)c1ccc2c(c1)/C(=N/Nc1ccccc1)C(=O)N2 145424320 YKDLTEUGZLEKHO-UHFFFAOYSA-N 358.423 2.142 30 1 FEEF Cc1c(O)nnc(O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880047 BZDYNASPDAEYAQ-UHFFFAOYSA-N 366.204 2.213 30 1 FEEF C=CCn1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OCCO)CN(C)[C@H]1C2 29483346 CUEDKHZMFQFZOB-AYBZRNKSSA-N 354.450 2.323 30 1 FEEF CC(C)(O)c1cn([C@@H]2C3=C(OC2(C)C)C(=O)c2ccccc2C3=O)nn1 96904724 SGWUANMWNCXRIP-QGZVFWFLSA-N 353.378 2.189 30 1 FEEF O=C(CCCCCCC(=O)Nc1ccccc1CN1CC[C@H](O)C1)NO 1772633301 PZZNYQXMSCXZEE-INIZCTEOSA-N 363.458 2.038 30 1 FEEF CCCCCNC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O 5501698 MCFOFZBDWSOEAS-GFCCVEGCSA-N 372.425 2.213 30 1 FEEF Cc1cccc(-n2c(O)nc3cc(C#N)c(=N[C@@H]4CCCC[C@@H]4N)[nH]c32)c1 1857573062 JMGNDCFZDMKTJH-JKSUJKDBSA-N 362.437 2.410 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 2356401951 VDQCKUZZTGKPLY-MANUXINTSA-N 360.406 2.237 30 1 FEEF O=C1C=CC2(C=C1)CC[C@]1(C[C@@H](O)C[C@@]3(CCC4(C=CC(=O)C=C4)O3)O1)O2 101712771 BWUOKXCUQDTZQU-ZHPFXUNLSA-N 370.401 2.039 30 1 FEEF N#CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 26675402 VZJJBNVSQUDXSY-QGZVFWFLSA-N 354.362 2.296 30 1 FEEF CC(C)C1=C[C@@H]2[C@](C)(O)CC[C@]2(O)[C@@]2(C)CC[C@@H]3O[C@@]3(CC1)C(=O)O2 2356788978 CSSYDBJXVRYEER-WFDVMHAPSA-N 350.455 2.488 30 1 FEEF COc1ccc(OC)c(/C=N\Nc2cc(C)nc(N3CCOCC3)n2)c1 38206721 SWQNXGRJAHSTJS-UNOMPAQXSA-N 357.414 2.085 30 1 FEEF CC(=O)OCC[C@H](/C=C/C=C\C#CC#C/C=C/CO)OC(=O)C=C(C)C 238788897 CQDVFBMTEZFKKY-PUYRJQRLSA-N 356.418 2.485 30 1 FEEF CCc1ncnc(-c2cccc(C(=O)NC)c2)c1C#Cc1ccc(N)nc1 148951487 KRTYLKABJLYMAC-UHFFFAOYSA-N 357.417 2.443 30 1 FEEF Nc1nc(N2CCOCC2)ccc1/N=C1\C(=O)Nc2ccc(Cl)cc21 299838858 RHRXKLMJVLZBJY-UHFFFAOYSA-N 357.801 2.227 30 1 FEEF Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C=O)n1 587885337 FLDBNDAXMHANMJ-UHFFFAOYSA-N 350.205 2.250 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc(NCCN2CCOCC2)nc1 587908373 RRRGZDGERTXCSW-UHFFFAOYSA-N 371.868 2.888 30 1 FEEF C=CCc1c(OC)c2c(=O)cc(C(=O)O)oc2c2c(=O)cc(C(=O)O)oc12 169344932 UANALJJHHVPPPD-UHFFFAOYSA-N 372.285 2.033 30 1 FEEF CC=C(C)C(=O)O[C@@H]1C[C@H](C=O)[C@@H]2C(=O)C=C(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]21 2356417223 VLYGZNZMBINDJK-VVHAYALSSA-N 360.406 2.022 30 1 FEEF CC[C@H](C)C[C@@H](C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(C(=O)O)OC=C2C1=O 2356741370 GIDMWMOVOCXADR-QQKBFRNYSA-N 362.378 2.321 30 1 FEEF N#CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc(F)cc1 82064534 AOBWOSIRUCJSJO-KRWDZBQOSA-N 371.437 2.497 30 1 FEEF CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccc(O)cc2)C1=O 138236971 KULDKBMEZAVCHT-UHFFFAOYSA-N 359.403 2.286 30 1 FEEF CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]1CO 95897648 IWMSBTAHFYGBCH-SBHAEUEKSA-N 367.424 2.233 30 1 FEEF Cc1cc(N)c2c(c1)C(=O)C[C@@](C=O)(c1ccc(N3CCOCC3)cc1)O2 587401679 WEPOJMMLPZWSIM-OAQYLSRUSA-N 366.417 2.473 30 1 FEEF Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[n+]([O-])c2ccccc2[n+]1[O-] 5810829 VICWOEASAXXUSB-DHZHZOJOSA-N 351.318 2.219 30 1 FEEF CC#CCOc1ccc([S@@](=O)[C@@H](C(=O)NO)c2ccc(OC)cc2)cc1 13585989 PCASIOOVBSODBH-DWXRJYCRSA-N 373.430 2.452 30 1 FEEF O=C(NCCc1cc(C(=O)NO)no1)c1cccc(-c2ccccc2)c1 1857578107 WJTIJZGSCAJHKB-UHFFFAOYSA-N 351.362 2.433 30 1 FEEF COCC(=O)N1CCC2(CC1)CCN(C(=O)Nc1cccc(C#N)c1)CC2 3955770 LTRWNNOWYKMZBV-UHFFFAOYSA-N 370.453 2.441 30 1 FEEF C#CCNC(=O)C1=C[C@H](c2ccc(C#C)cc2)[C@@H](CCCO)[C@H](OCC)O1 95784291 QMERVGNDZNDKFJ-WOIUINJBSA-N 367.445 2.166 30 1 FEEF O=C(/C=C/c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc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c1[nH]c(N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc12 33375445 IOLSBSYNWFYQBI-IDUWFGFVSA-N 353.294 2.006 30 1 FEEF N#CCNC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)OCc1ccccc1 82064933 VEZJALGSUJOSPN-QGZVFWFLSA-N 373.359 2.442 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)CC(C)C)[C@@H]12 238735068 JENRVVOVQAIGRV-PELHQHMTSA-N 364.438 2.301 30 1 FEEF CC/N=C(/NS(=O)(=O)c1cccc(OC)c1)N1CC2(C=N1)CCCC2 653739166 MTWIVDFPOVDEGP-UHFFFAOYSA-N 364.471 2.211 30 1 FEEF NC(=O)c1ccncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587887840 BHUCSYNVOJPNRP-UHFFFAOYSA-N 362.216 2.198 30 1 FEEF C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100776690 ABTNJGAZZKYLLD-CZGCYONISA-N 362.422 2.111 30 1 FEEF endogenous,in-man C/N=C(/NC#N)NCCCCCCn1nc(-c2ccccc2)ccc1=O 27213969 UYWGIJJMAQMXSJ-UHFFFAOYSA-N 352.442 2.117 30 1 FEEF C=C1C[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)[C@H](O)[C@H]1O 2356514241 BABPDNOTIHMCNF-SPBYYHCPSA-N 354.487 2.429 30 1 FEEF CC(=NC(C)(CO)CO)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356815023 CNRYRTNTLZLPBR-UHFFFAOYSA-N 366.417 2.249 30 1 FEEF Cc1cc(C)nc(NC(=S)N2CCN(c3ncccc3C#N)CC2)c1 95570781 ODIRTOAHUPJXNG-UHFFFAOYSA-N 352.467 2.484 30 1 FEEF C=CCONC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCc1n[nH]cc1-2 14945836 JRTGMBDUUMBMPQ-UHFFFAOYSA-N 365.393 2.217 30 1 FEEF C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 15256549 PIKIDCPJSQIMHW-HDDUHFLVSA-N 364.438 2.046 30 1 FEEF endogenous,in-man C=C1C(=O)O[C@@H]2[C@@H](O)/C(C)=C/C(=O)/C=C(/C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 169349157 VUURQISRHJCAJY-IAQAZJCASA-N 360.406 2.189 30 1 FEEF O=C1C(N2CC2)=CC(=O)c2c(OS(=O)(=O)c3cccs3)cccc21 29391267 XFKPHVFMGLZMBR-UHFFFAOYSA-N 361.400 2.094 30 1 FEEF CC(=NNC(N)=S)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356838863 MEALXWGRUNKRGX-UHFFFAOYSA-N 352.419 2.254 30 1 FEEF N#Cc1cccc(CN[C@@H]2CO[C@H]3[C@H]2OC[C@H]3OCc2ccccc2)c1 2356847543 OXMBUOXXJAXFDJ-MXEMCNAFSA-N 350.418 2.399 30 1 FEEF N#CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cccc(O)c1 82064668 NNXBGULWOOFTFV-KRWDZBQOSA-N 369.446 2.064 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(F)c2)[C@@H]1CO 95667930 CFKAQMWIPNRAAR-WSTZPKSXSA-N 354.381 2.318 30 1 FEEF C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@H](C)O3)[C@H]12 523041886 WBIAXVPYFSCEHZ-BHIZZBQMSA-N 374.433 2.077 30 1 FEEF biogenic Cc1ccc2c(c1)[C@]1(c3ccsc3CCN1C(N)=O)[C@@H]([N+](=O)[O-])C2=O 962707937 IUNZDIKPLICFKX-DOTOQJQBSA-N 357.391 2.079 30 1 FEEF C#CCN(C)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccc(OC)cc1 2356301464 JEWYUPFLPVZFKJ-SCTDSRPQSA-N 370.497 2.092 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)C3=C[C@@H](O)OC3)[C@@H]12 2356387073 GWPLGGJNZWWQIB-OWSLCNJRSA-N 360.406 2.348 30 1 FEEF O=CC(C=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1[N+](=O)[O-] 587261700 GTVGDZKTLOVLKI-UHFFFAOYSA-N 353.290 2.348 30 1 FEEF CC(C)(C(=O)NC1[C@H]2CC3C[C@H]1CC(C(N)=O)(C3)C2)c1ccc(C#N)cn1 100075745 ZTAWWPCARCIRRE-TUTFJTQRSA-N 366.465 2.027 30 1 FEEF COC(=O)c1ccc(-c2c(C#N)n(O)c3cc(OC)ccc3[n+]2=O)cc1 139349259 KQIQBNAVEPCFDD-UHFFFAOYSA-N 352.326 2.127 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@H]3C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3 299844152 UEFXHAIMDIUNBV-SPMLGKFCSA-N 362.422 2.221 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nccnc1C(=O)O 587889064 FGHIOHQYRBANGN-UHFFFAOYSA-N 364.188 2.192 30 1 FEEF COc1cc2c(cc1OC)[C@](C)([C@@H]1C(=O)C=C(C)OC1=O)N(C)[C@@H](C)C2 962618179 DAEIFTUHUSQXDN-QXJJSNKBSA-N 359.422 2.441 30 1 FEEF CCN(CC)C(=O)Cc1cn(CNc2ccnc3cc(C#N)ccc23)nn1 96934971 YVUGZRSUGYEGNF-UHFFFAOYSA-N 363.425 2.178 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H](O)/C(C)=C\C(=O)/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 100899515 VUURQISRHJCAJY-CXRMMEALSA-N 360.406 2.189 30 1 FEEF in-vivo C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C(=O)[C@@H](OC(=O)C(C)=CC)[C@]12O 2356617018 NRLHCGGXRSDJGO-MDYRTPRTSA-N 360.406 2.333 30 1 FEEF CC(C)C[C@H](NC(=O)c1cc(Br)cs1)C(=O)NCC#N 82065262 RVEZEIYKVPNPCF-JTQLQIEISA-N 358.261 2.295 30 1 FEEF CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)C/C=C/C(C)(C)O)C1 28567720 MHMOARXJSCYNTK-NATDQCLFSA-N 362.422 2.413 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)CC(C)C)[C@@H]12 2356649329 JENRVVOVQAIGRV-MWMFFFNHSA-N 364.438 2.301 30 1 FEEF CC1(C)CC(=O)Nc2ccc(C(=O)NCCCCCCC(=O)NO)cc21 222861620 OEQQELYWLWKXKU-UHFFFAOYSA-N 361.442 2.492 30 1 FEEF Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(C(=O)NO)cc1 299829463 KRYVIMZIINKURS-UHFFFAOYSA-N 373.434 2.116 30 1 FEEF C=C1[C@H]2C[C@@H](OC(C)=O)[C@H](C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@H]1OC(C)=O 2356422302 LJYLKGAKLSAVRU-NSTCXHPYSA-N 350.411 2.260 30 1 FEEF NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887119 ASESYZQGJOEAOO-UHFFFAOYSA-N 362.216 2.198 30 1 FEEF C[C@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)CF 205812305 LWEVIJJZOSNNTR-VZMMOFHHSA-N 357.360 2.292 30 1 FEEF N#CCCCn1c(CN2C(=O)/C(=N/O)c3cccnc32)nc2ccccc21 43059892 DAZZHWVOCHMWCL-HAVVHWLPSA-N 360.377 2.460 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@H](C)[C@@H](C)O)/C(C)=C\CC[C@@]1(C)O[C@H]21 140992616 MPNJUHHXWPDZRT-OSBFBQLTSA-N 364.438 2.301 30 1 FEEF N#Cc1nc2nc(-c3cnn4cccc(Br)c34)[nH]c2nc1C#N 587006041 AQVGQFYWUHUSIZ-UHFFFAOYSA-N 365.154 2.173 30 1 FEEF Cc1sc(NC(=O)COc2cccc(-n3cnnn3)c2)c(C#N)c1C 882986 ZJVOUPVCIKTEEW-UHFFFAOYSA-N 354.395 2.230 30 3 FEEF CC(=O)c1ccc(/N=C/C2=C3NC=C(C(=O)O)C(=O)N3[C@@H](C)CC2)cc1 101170449 NFSCZRPTKGRWHD-QQZXWGPFSA-N 353.378 2.386 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@@H](OC(=O)C(=CC)CO)[C@@H]12 2356567368 QKLHPFYRHSIPQP-KZNAEPCWSA-N 360.406 2.190 30 1 FEEF COc1cc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc(OC)c1 40465635 HZOFFLLTBFASCA-FLEUSOHUSA-N 372.381 2.130 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 257412055 DZTWAOVNNLDWNH-CZRDTFMFSA-N 362.422 2.221 30 1 FEEF endogenous,in-man O=CC(C=O)c1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] 587262595 YNDWXGPFGYCRTO-UHFFFAOYSA-N 371.280 2.457 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 587918520 VHXWLWWPYWKGGQ-UHFFFAOYSA-N 366.782 2.304 30 1 FEEF CN1CCc2cn(C)nc2[C@@H]1c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 963954213 IDJJXNIVZROLIJ-SFHVURJKSA-N 371.265 2.436 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC(=O)[C@](C)(O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 2356378653 RVCMUXPMWKHFFZ-DZJHOTPTSA-N 364.438 2.492 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)C3=C[C@@H](O)OC3)[C@H]12 2356387074 GWPLGGJNZWWQIB-VSZNYVQBSA-N 360.406 2.348 30 1 FEEF CC(=O)N(O)CC[C@H](c1ccccc1Br)P(=O)(O)O 72108030 CRGSOVHDWIPQNY-LLVKDONJSA-N 352.121 2.296 30 1 FEEF O=C(/C=C/c1ccc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)cc1)NO 13528161 OGAKAZXENWFQRT-QZEKMECESA-N 365.433 2.380 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=CCC[C@@]1(C)O[C@H]21 2356631767 NUBGOYZTSZAMIY-NRFDFHEYSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@@H]2CC(C)=CC(=O)C=C(C)[C@H](OC(=O)C(C)=CC)[C@H](O)[C@@H]12 2356710366 BIHIEAXOTSXYAE-XDNAFOTISA-N 360.406 2.189 30 1 FEEF CCCCCCCCCCO[C@H]1C=C(COC(C)=O)C(=O)[C@H](O)[C@H]1O 73224650 OVELKYFJTHHGDH-WDSOQIARSA-N 356.459 2.306 30 1 FEEF CC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2[C@H](O)[C@@H]1O 87529266 VRYBZCIONJZZPL-QVLYEVLBSA-N 372.373 2.265 30 1 FEEF in-vitro CCC#CCOC(=O)CN(C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085779 VAJUIEZNAQGJPI-UHFFFAOYSA-N 370.361 2.099 30 1 FEEF CN1C(=O)CN=C(c2ccccc2)c2cc(C#CCCC(=O)NO)ccc21 96916624 XPOXSSWYTUEULK-UHFFFAOYSA-N 361.401 2.138 30 1 FEEF Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)s1 28459893 NDQYASSOLQIEAZ-GIDUJCDVSA-N 374.342 2.201 30 1 FEEF CC1(C)[C@H]2C[C@H](O)[C@@]3(CO3)[C@@H](CC=C3CCOC3=O)[C@]2(C)CC[C@H]1O 2356687374 NREPZLXPISUPRB-AZMYGXNZSA-N 350.455 2.203 30 1 FEEF CC1=CC(=O)[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)NN1 587794719 PJEWUDBODZLNQV-XWKFFJDASA-N 354.223 2.113 30 1 FEEF C=C(C)[C@@H](O)COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O 14814369 BKCGNJDWDKBYRH-INIZCTEOSA-N 354.358 2.497 30 1 FEEF biogenic C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@H]12 15157884 DZTWAOVNNLDWNH-XUDMSEAESA-N 362.422 2.221 30 1 FEEF endogenous,in-man C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CC#N)OCO3 25987620 WDZUIJUSJQYJTA-GFCCVEGCSA-N 362.389 2.437 30 1 FEEF COCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(C#N)cc1 82158918 PLNKDTPSUSWBLU-UHFFFAOYSA-N 365.437 2.382 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO 95897871 AINXGCJTFTULJC-HSALFYBXSA-N 372.490 2.230 30 1 FEEF COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccc(C)cc2)[C@@H]1C#N 95667394 QSTKMSOVKORZCK-ZVDOUQERSA-N 350.418 2.487 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)[C@H](O)C(C)=CCC[C@@]1(C)O[C@@H]21 263636825 ISNCBKDTMCCSDO-ZNIMCQAWSA-N 362.422 2.221 30 1 FEEF C[C@@](CCc1ccc(OCC2CCC2)cc1)(C(=O)NO)S(C)(=O)=O 169686498 ZZJKFWRALUGZKD-QGZVFWFLSA-N 355.456 2.107 30 1 FEEF Oc1nc2ccc(C3=NNC(=NCCc4ccccn4)SC3)cc2[nH]1 1857767014 YIAGTHRFZUJFPH-UHFFFAOYSA-N 352.423 2.303 30 1 FEEF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCC#N)cc1 4043428 QBGGXOSBQHYCEJ-AEFFLSMTSA-N 352.394 2.467 30 1 FEEF COc1ccc(Cn2cc(C(=O)NO)c(=O)c3ccccc32)cc1OC 1911583151 ZGGAALVMIBGIER-UHFFFAOYSA-N 354.362 2.186 30 1 FEEF CC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@]2(CO2)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]12C 2356612075 SZSNPNCTSHASFJ-NSUSSCTHSA-N 362.422 2.008 30 1 FEEF CN[C@@H]1CCc2cc(OC)c(OC)c(OC)c2C2=C1[C@H]1C(=O)C(OC)=C[C@H]21 2356696767 PRKULWMHZYZBPD-QFSBIZTOSA-N 371.433 2.359 30 1 FEEF CC(C)(CCn1cnc(-c2cccnc2)c1)NCC(=O)N1CCC[C@H]1C#N 34874010 AEOKIJDXJROCJQ-KRWDZBQOSA-N 366.469 2.218 30 1 FEEF C=C[C@]12C[C@H](OC(=O)C(C)=CC)[C@@H]3C(=C)C(=O)O[C@@H]3[C@@H]1C(=C)CO[C@H]2O 2356447621 YCUMYYHWRRPIJB-JYLMTPQZSA-N 360.406 2.059 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@H]1CO 95871773 RFCFBMFMIPFQOK-QWFCFKBJSA-N 354.381 2.318 30 1 FEEF CC1=C(C(=O)O)C(=O)[C@@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@@]2(O)C1 43207880 HZZQUBYOXIKCPW-JXFKEZNVSA-N 368.341 2.026 30 1 FEEF biogenic C=C(C)[C@@H]1C[C@@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C 100772889 MFJWBSPRMQOETE-VCOCTOFQSA-N 360.450 2.298 30 1 FEEF endogenous,in-man CC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC#N 82065334 SEQQEHVWFCFXQZ-INIZCTEOSA-N 365.499 2.317 30 1 FEEF N#Cc1cccnc1N1CC[C@H]2OC(N)=N[C@@]2(c2ccc(F)cc2F)C1 95920685 UKQSZNNDBLMQNX-CRAIPNDOSA-N 355.348 2.051 30 1 FEEF in-vitro O=CC(C=O)c1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] 587261475 CEECWXHDVOPAFI-UHFFFAOYSA-N 353.290 2.318 30 1 FEEF N#Cc1nc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2nc1C#N 587120037 OHLFPVFXXMFNHK-UHFFFAOYSA-N 372.314 2.239 30 1 FEEF O=C(OC[C@@H](O)CS)c1csc([C@@H]2COc3ccccc3O2)n1 13586937 WWBMVHKTRROALT-RNCFNFMXSA-N 353.421 2.103 30 1 FEEF Cc1ccccc1NC(=O)/C(=N\NC(N)=S)[C@H](C#N)c1ccccc1 17195633 MXYRZUFEJRHOSX-AWMROSOHSA-N 351.435 2.430 30 1 FEEF C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2cccs2)n1 1857565662 ISAIPOHALNOQES-UHFFFAOYSA-N 371.476 2.477 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356467729 BHVWUHGFYATMKC-ODUSRVASSA-N 364.438 2.301 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)[C@H](C)CC)C(C)=CCC[C@@]1(C)O[C@H]21 2356541136 OVQGHLVSAXKUJP-GOUTZKIFSA-N 364.438 2.301 30 1 FEEF O=C(C=Cc1ccc(O)c(O)c1)C[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2356609548 FLOHMUHVWAXLJI-ZDUSSCGKSA-N 358.346 2.425 30 1 FEEF CC=CC(=O)[C@]1(O)[C@H](C)CC[C@@H]2[C@H](C)C(=O)O[C@H]2[C@H]1OC(=O)C(C)=CC 2356765300 JJTAUBUHIJHGPA-COXIEXTQSA-N 364.438 2.348 30 1 FEEF C=C1C[C@H](OC(=O)CC(C)C)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)[C@H](O)[C@@H]1O 238764521 BABPDNOTIHMCNF-VFNZLGRZSA-N 354.487 2.429 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 523042401 OPVWRQVYITXONM-NUJRYDSYSA-N 362.422 2.461 30 1 FEEF biogenic N#Cc1nc(N)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881318 KCAAEUCRNQZBCY-UHFFFAOYSA-N 359.216 2.553 30 1 FEEF COc1c[nH]c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1=O 587889487 LTHRDCHBWJUXQO-UHFFFAOYSA-N 365.216 2.401 30 1 FEEF CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)NO)C2CCCCC2)cc1 13586005 MKEVHBFZBURDHJ-QGZVFWFLSA-N 365.451 2.317 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1OC)[C@H](O)[C@H]1CC[C@]2(C)C(=O)O[C@H](O)[C@@H]2[C@@]13C 2356628580 YDAHNBSRNIYZOQ-YTTQAAEDSA-N 362.466 2.262 30 1 FEEF C#C[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@@H]3[C@@H](OC)C[C@@]21C 2356680544 LQMBBJSVJDBNNB-BYAICEBZSA-N 372.461 2.217 30 1 FEEF Cc1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)n[nH]1 219319637 YMEVOHYXZCAVCL-RCJHGTSTSA-N 367.428 2.216 30 1 FEEF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[n+]([O-])c1 587887873 BYJQBFZAXNUZCV-UHFFFAOYSA-N 365.216 2.346 30 1 FEEF CCN1CN([C@H]2CC[C@H](CNCC#N)CC2)c2c(c[nH]c3nccc2-3)C1=O 1772610307 PRFRRKFOUSHYLW-SHTZXODSSA-N 366.469 2.426 30 1 FEEF CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCCc3ccco3)n2)o1 13557277 GRGZUFOUSKCTMN-UHFFFAOYSA-N 373.438 2.411 30 1 FEEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(CO)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 2356309666 AXEUUXHMKSPQAI-SQDKYBNXSA-N 364.438 2.048 30 1 FEEF CC(=O)O[C@@H]1CC[C@@H]2C[C@]3(C=C[C@@H]21)C=C1C(=O)C[C@@H](C[C@@H](O)CC3)OC1=O 2356378066 UZQGDDBSLRNAQX-IRTBIXIOSA-N 374.433 2.246 30 1 FEEF CC(C)[C@@H]1[C@H](O)C(=O)C2=C(O)C3=C(C(=O)O)[C@H](O)CC[C@]3(C)CC[C@@]21C 2356408646 LLMHFPULZDGBHG-JEFJSJKNSA-N 364.438 2.357 30 1 FEEF C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O 238773054 ZJZYSAJQOPJREK-OUIOBULKSA-N 374.477 2.354 30 1 FEEF C/C(=N\NC(=S)NNC(=S)Nc1cccc(C#N)c1)c1ccccn1 13650667 VEERDKIFENVEIT-RGVLZGJSSA-N 369.479 2.043 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@@](C)(O)CC)/C(C)=C/CC[C@@]1(C)O[C@H]21 101513229 QFUNFKDZAWYCRV-BHXPJQOVSA-N 364.438 2.445 30 1 FEEF O=C1C=CC=C/C1=C1\NN=C(SCC(=O)N2CCc3ccccc3C2)O1 103918153 HSWCVBXBKJYIHJ-SDXDJHTJSA-N 367.430 2.102 30 3 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H](OCC)CC(=O)[C@]3(C)[C@H](OC(C)=O)[C@@H]12 2356640466 CSYMRIFJBJCIHM-IKFPKUHZSA-N 350.411 2.056 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]1CO 95897904 PTDGAOVNNFEWBY-KURKYZTESA-N 360.410 2.105 30 1 FEEF C/C=C(/C)C(=O)O[C@@H]1[C@]2(C)C=CC(=O)C2=C(C)C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 238778897 QQMLUOLOVQRXBR-QWACOPEPSA-N 358.390 2.388 30 1 FEEF COC1=C(OC)[C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4[C@@]2(CCN3C)CC1=O 34287817 YRYHFXJRUQQCBR-YMTYPPQLSA-N 373.449 2.295 30 1 FEEF biogenic Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc2nnnn12 587891265 VXJGBMVGRLPWKZ-UHFFFAOYSA-N 374.231 2.450 30 1 FEEF CCCCCCCCCCn1cc(COC[C@@H]2OC[C@H](N)[C@H]2O)nn1 169344618 CDPSIMLMULZONU-OKZBNKHCSA-N 354.495 2.022 30 1 FEEF CC[C@H](C)C=CC1=CC2=C(Cl)C(=O)[C@](C)(O)C(=O)C2=CN1CCO 2356389392 UBEZPANUWOHMOG-BBATYDOGSA-N 351.830 2.060 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H]3O[C@](O)(C=C(C)[C@@H](OC(=O)C(C)=CC)[C@@H]12)C=C3C 2356725795 UBZKOZZMYYIBMY-XDCWJTEKSA-N 360.406 2.346 30 1 FEEF CS(=O)(=O)OCC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1 96178014 NEOIDMZZPHMQGG-UHFFFAOYSA-N 357.391 2.212 30 1 FEEF Cc1ncccc1[C@@H](C#N)N1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 13833325 HEHIASJYLABZLO-WOJBJXKFSA-N 363.465 2.189 30 1 FEEF C/C=C(/C)C(=O)O[C@H]1C=C(C)CC[C@@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@@](C)(O)[C@@H]12 1857745990 IEUHJMOSXFVRJV-UVCPDOFLSA-N 364.438 2.445 30 1 FEEF CCCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@@H]1F 28868184 YUNIETNZFITZLK-CVEARBPZSA-N 352.381 2.262 30 1 FEEF O=C1C=C([C@@H]2CC(=O)[C@H](O)c3cccc(O)c32)C(=O)c2c(O)cccc21 137594183 DPGMBELUGAWLHC-JEOXALJRSA-N 350.326 2.193 30 1 FEEF C=C(CCO)C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@H]12 138510946 DTSRWZQRWMWHDL-HEWUHUJUSA-N 364.438 2.063 30 1 FEEF N#Cc1ccc(-c2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)on2)cc1 45254904 SAWDRENOSRKPMG-AWEZNQCLSA-N 367.321 2.296 30 1 FEEF N#C[C@@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95896138 MMGFFIGSXRIQDW-YPAWHYETSA-N 371.440 2.460 30 1 FEEF C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@]4([C@@H]3CC2=O)[C@@H]1[N@@+]([O-])(CC)C5 255282870 YAFVVJNTIALWDB-YKAWIASLSA-N 373.493 2.013 30 1 FEEF O=C(O)[C@H]1CNCCN(CCON=C(c2ccccc2)c2ccccc2)C1 299861278 IDEMRATYWZJENE-IBGZPJMESA-N 367.449 2.062 30 1 FEEF C/N=C(/NC#N)NCCCCCn1nc(-c2ccccc2)cc(C)c1=O 27212361 HFICENOKNYSNCY-UHFFFAOYSA-N 352.442 2.035 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 257783792 ZMXFZZOCUKHAFO-KJUKCCRISA-N 364.438 2.301 30 1 FEEF endogenous,in-man CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NO 13803859 UKLIIGXGTPSYBF-KRWDZBQOSA-N 373.434 2.034 30 1 FEEF CCN1C(=O)N(CC)[C@H]2NC(=S)N(/N=C/C=C/c3ccc(OC)cc3)[C@@H]21 1857645690 OQMCIAARXMEIQT-FUQSHOSESA-N 373.482 2.314 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C1C(=O)[C@@H]3O[C@]3(C)[C@@H]12 2356786857 SRISGSIMXLOZGT-AVSUYQRWSA-N 358.390 2.039 30 1 FEEF CC1=C(CCCOC(=O)NCCO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1 45284640 HNQQTPHLCFMCBK-IBGZPJMESA-N 361.438 2.172 30 1 FEEF CCOc1ccc(/C=N/n2c(S)nnc2-c2cnccn2)cc1OC 1772581059 FSZDPQVZTKQSRP-DJKKODMXSA-N 356.411 2.313 30 1 FEEF O=C(/C=C/c1ccc(S(=O)(=O)NCc2cccc3[nH]ccc23)cc1)NO 1772654008 OKILVFMMTQJUTF-RMKNXTFCSA-N 371.418 2.165 30 1 FEEF COC(=O)[C@H]1[C@H]2CC(=O)c3[nH]c4ccccc4c3C[C@H]1N(C)C=C2C(C)=O 2356337318 XUMIPNQUXRLEBO-IRWQIABSSA-N 366.417 2.489 30 1 FEEF COc1cc(OC)c2c(c1)OC(=O)[C@H]2/C=C1\Oc2cc(O)cc(O)c2C1=O 53242682 OKCWZQNBQJECDI-VNCYPQDWSA-N 370.313 2.277 30 1 FEEF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]2O[C@@](O)(C1)CC2=C 2356658480 UCNWFQSIKSARTF-LLYLOPHFSA-N 360.406 2.346 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)C[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 238756913 KCUQHLKAVMLGGV-GUFDMYATSA-N 362.422 2.221 30 1 FEEF CO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C\Nc1cccc(S(N)(=O)=O)c1 653851611 DQVFDMCLWLDIJD-SPQRHKFCSA-N 374.418 2.186 30 1 FEEF CN(C)c1ccc(CNC(=O)NCCCCCCCC(=O)NO)cc1 29133778 OPWGVKVKBNELHO-UHFFFAOYSA-N 350.463 2.398 30 1 FEEF C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C=CC(=CCO)C(=O)O 2356742637 OBESDOWPJJESMH-OIGVQNGMSA-N 350.455 2.288 30 1 FEEF C=C1C(=O)O[C@H]2C=C(COC(=O)CC(C)C)CCC=C(CO)C(=O)C[C@@H]12 2356743272 PYXDBFWTGFQZMF-WMZOPIPTSA-N 362.422 2.272 30 1 FEEF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc2N1 587124022 KONHUEVASWEZTM-LDWIPMOCSA-N 373.302 2.267 30 1 FEEF C=C1C(=O)O[C@H]2[C@H](OC(=O)C(C)=CC)[C@@](C)(O)CCC[C@@H](C)C(=O)C[C@H]12 2356539181 FPXHAHZGQPOGBX-QCLROZKBSA-N 364.438 2.492 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@]1(C)[C@H]2[C@H](OC)CC[C@H]1O 2356617465 DTBOAACTTLIOGS-PESZINACSA-N 364.438 2.158 30 1 FEEF N#CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc(O)cc1 82065674 SGGPERYTKCMUIY-KRWDZBQOSA-N 369.446 2.064 30 1 FEEF N#Cc1ccc(CCN2CCN(CCc3ccc4nonc4c3)CC2)cc1 95558324 GEWMFRYQVAYXIE-UHFFFAOYSA-N 361.449 2.497 30 1 FEEF N#CC[N@@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 253688909 KVYFZISXHXCPGM-VKSJBGHESA-N 374.464 2.131 30 1 FEEF CC(=O)OC1=C(c2ccc(O)cc2)C(=O)C(O)=C(c2ccc(O)cc2)C1=O 85969935 XOKBHIUOVKPBAZ-UHFFFAOYSA-N 366.325 2.493 30 1 FEEF biogenic O=C1CCC[C@H](C(=O)N=C2CCN(c3ccc(Cl)c(Cl)c3)N2)N1 1857551818 JIWNQQOVEWCUFT-GFCCVEGCSA-N 355.225 2.302 30 1 FEEF CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCC#N)c2n1 4239119 YOMDHWUAIUQTDE-UHFFFAOYSA-N 356.336 2.111 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H](OC(=O)C=C(C)C)[C@H](C)CCC[C@]3(C)O[C@@H]3[C@H](O)[C@@H]12 2356529615 NDGUBDUQBQDMRC-MRNOGKATSA-N 364.438 2.301 30 1 FEEF C=C1C=CC(=O)[C@@]2(C)C[C@H](OC(=O)C(C)=CC)[C@@H]3C(=C)C(=O)O[C@@H]3[C@H]1O2 2356626277 RAPFQXPCDZDZJK-GINSCSNVSA-N 358.390 2.205 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@]12O 238756317 CTVNMICJHWLINA-JHJFXPEQSA-N 362.422 2.124 30 1 FEEF C/C(=N\NC(=N)N)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C)c12 64559507 OKUVJTKKDCXNAT-FYJGNVAPSA-N 369.450 2.394 30 1 FEEF CC1=C(C)C2=CC(=O)c3c(O)c(C[C@@H](C)O)c(O)c(O)c3[C@@]2(C)CC1=O 14659967 RHZKGSAKRGMZTK-SQFXPLBJSA-N 358.390 2.416 30 1 FEEF biogenic CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)nc(C#N)c3[nH]2)CC1 586952755 KVKFTFDFWJYRHY-UHFFFAOYSA-N 367.862 2.481 30 1 FEEF C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C/C(C)=C\C(=O)[C@H](OC)CC(=O)C1)[C@H]2O 169340933 WIWLIEUEOQQPHP-PSJPHHKXSA-N 362.422 2.065 30 1 FEEF COC1=C(OC)C(=O)C(Cc2c(Cl)nc3n2CCS3)=C(C)C1=O 1662909 DOWGWHIAYKRQJI-UHFFFAOYSA-N 354.815 2.157 30 1 FEEF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N21 28463827 FOMUTDWPOSXQRQ-SOUVJXGZSA-N 368.393 2.087 30 1 FEEF C=Cc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO 147355597 ZEWXNYYVUCFHEP-UHFFFAOYSA-N 352.441 2.315 30 1 FEEF CC(C)=CCC[C@H](C)C1=C(O)C(=O)C(C)=C([C@@H]2C[C@@H](O)[C@H](CO)O2)C1=O 2356796886 NPGIBAZKDFBMGD-ATGSNQNLSA-N 364.438 2.160 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@H]1O[C@]1(C)CCC[C@@H](C)[C@H]2O 85678052 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CC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2[C@@H](O)[C@@H]1O 87529260 VRYBZCIONJZZPL-GBNVKOLXSA-N 372.373 2.265 30 1 FEEF in-vitro C=CCn1nc(O[C@@H]2c3cc(C#N)ccc3C(=O)C(C)(C)[C@H]2O)ccc1=O 13832194 OZWKTRZIFRSQLU-MJGOQNOKSA-N 365.389 2.004 30 1 FEEF CC1=C([C@@H](O)C[C@@]23COC(=O)[C@@H]2CC=CC3=O)C(=O)O[C@@H](c2ccoc2)C1 14689985 DBJFQJCDRWIAAN-UJKGCTCZSA-N 372.373 2.024 30 1 FEEF CCc1c(-n2c(O)c3n(c2=O)CC[C@H]3O)ccc(C#N)c1C(F)(F)F 169719896 UUQFWGLWZSNKNL-LLVKDONJSA-N 353.300 2.235 30 1 FEEF COCC(=O)N1CCC2(CCCN(C(=O)Nc3cccc(C#N)c3)C2)CC1 4238053 OKZKVCOCODRQCY-UHFFFAOYSA-N 370.453 2.441 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 2356672317 FPOVYDMKICRBQA-JLEGEJIRSA-N 362.422 2.221 30 1 FEEF CN(/N=C/c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(F)c1 473117047 XSGJTQUYIHJXDM-CAOOACKPSA-N 367.793 2.176 30 1 FEEF CC(=O)O[C@H]1[C@H](n2ccccc2=O)c2cc(C#N)ccc2C(=O)C1(C)C 13832152 OHHRUNFDXNPMES-MJGOQNOKSA-N 350.374 2.464 30 1 FEEF 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COC(=O)[C@H](CCCCNC(C)=O)[C@H]1C(=O)C[C@@H]2C1=CC(=O)CC2(C)C 89456024 VINWJYXOFBHHFU-QGPMSJSTSA-N 363.454 2.213 30 1 FEEF C=C1C[C@H](O)[C@@H]2O[C@]2(C)CC[C@@H]2C(=CC=CC(C)(C)O)CO[C@@H](O)[C@H]12 2356401414 DHRXCNMOCBONRV-ACDHPSKBSA-N 350.455 2.079 30 1 FEEF CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OC[C@H](O)CO 2356818241 DRWVUMGCXXXHDJ-OAHLLOKOSA-N 368.426 2.080 30 1 FEEF C=C[C@@]1(C)C[C@@]2(C=C(CO)[C@@H](O)O2)Oc2c1c(=O)oc1cccc(C)c21 34172584 PBJOCNBYKSMQMJ-IHPCNDPISA-N 356.374 2.291 30 1 FEEF CC(=N/N=C(C)/C(C)=N/N=C(C)/C(C)=N/N)/C(C)=N/N=C(C)/C(C)=N/N 195492920 GHPCVUWIQLXMNZ-YGMHZSQESA-N 360.470 2.166 30 1 FEEF C=C1C(=O)O[C@@H]2C/C(C)=C\C/C=C(\C)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H](O)[C@@H]12 238743061 HLVWSNQLQFQXIU-KYDMBXGXSA-N 362.422 2.221 30 1 FEEF Cc1c(C(N)=O)sc2nc(SC[C@@H]3CO3)n(-c3ccccc3)c(=O)c12 98083216 QZFMMAQKWWXRIA-NSHDSACASA-N 373.459 2.345 30 1 FEEF OC(Cc1cccc(C=NN2CCOCC2)n1)(C(F)(F)F)C(F)(F)F 254096164 NAWRGZYZMYBKPF-UHFFFAOYSA-N 371.281 2.146 30 3 FEEF CC#CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)NO)cc1 13440717 VXXLUYPODYWRKE-UHFFFAOYSA-N 374.418 2.317 30 1 FEEF CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C[C@@H]2CC(=O)C3=CCCNCCC[C@]321 2356399268 RHNSVLZNRRBSJZ-YGWPLHOASA-N 363.454 2.309 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C(C)=CC)[C@@H](O)[C@]12O 2356653367 CTVNMICJHWLINA-YZLZLFLDSA-N 362.422 2.124 30 1 FEEF CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CC(C)C)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@]12O 238764023 KXARZMGWVGLTJB-RRTUYPMLSA-N 362.422 2.102 30 1 FEEF Cc1ccc(-c2csc(N=C(N)N)n2)n1S(=O)(=O)c1ccccc1 27632865 QJYZNWAJESZEPO-UHFFFAOYSA-N 361.452 2.062 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)CC(C)=C[C@H](O)C[C@]1(C)O[C@H]21 2356447028 JPBAIMOXIINYNI-KCKUPIAKSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]3O[C@@]3(C)CC/C=C(\C)C[C@H](OC(=O)C(C)C)[C@@]12O 238781977 GVYABWGOCCCTNQ-JNHTYPHUSA-N 350.411 2.055 30 1 FEEF N#CCNC(=O)[C@@H](Cc1ccccc1F)NC(=O)OCc1ccccc1 82065432 MWLKXURPHHWNGE-QGZVFWFLSA-N 355.369 2.303 30 1 FEEF 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30 1 FEEF C=C(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O 58576502 FSQHSKMGRAIYLO-UHFFFAOYSA-N 350.422 2.001 30 1 FEEF CC(C)C1=C[C@@H]2O[C@]2(C)CCC=C(CO)C(=O)CC[C@H](C)[C@H](O)C1=O 2356580262 REPYAYNHFYOZHS-HKVPTBLXSA-N 350.455 2.354 30 1 FEEF CC(C)(O)c1cn([C@H]2C3=C(OC2(C)C)C(=O)c2ccccc2C3=O)nn1 96904725 SGWUANMWNCXRIP-KRWDZBQOSA-N 353.378 2.189 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@H](OCC)CC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12 238744142 CSYMRIFJBJCIHM-KTZREGPXSA-N 350.411 2.056 30 1 FEEF CC[C@](C)(O)c1cn([C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 299833587 QMZXITWRJDGUIQ-ICSRJNTNSA-N 367.405 2.422 30 1 FEEF COC(=O)C/N=C\c1c(O)n(-c2ccc(Cl)cn2)c(=O)c2ccccc12 1779667083 RMNXIHVXTFTZTA-UKWGHVSLSA-N 371.780 2.337 30 1 FEEF CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CC(C)C)[C@@H]3[C@H](C)C(=O)O[C@H]3[C@]12O 2356578937 KXARZMGWVGLTJB-QGOMOXGRSA-N 362.422 2.102 30 1 FEEF CC(C)(C)OC(=O)NCCOC(=O)/C=C/C(=O)c1ccc2c(c1)CCO2 1857539131 MJNRKPFUQUZLDC-FNORWQNLSA-N 361.394 2.428 30 1 FEEF 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359.426 2.242 30 1 FEEF C=C1C(=O)O[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@](C)(O)CCC[C@H](C)C(=O)C[C@H]12 139764426 FPXHAHZGQPOGBX-SOQIGNBFSA-N 364.438 2.492 30 1 FEEF biogenic N#CCNC(=O)[C@H](CCSc1ccccn1)NC(=O)c1ccccc1 82064827 QPHXBAWESRVXIW-HNNXBMFYSA-N 354.435 2.002 30 1 FEEF C[C@@H]1O[C@]1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@]3(C[C@H]2[C@]1(C)O)OC3(C)C 238743510 KMNGBPKXTNCURX-NWRRSYNXSA-N 366.454 2.153 30 1 FEEF CC(C)[C@H]1[C@@H](O)C(=O)C2=C(O)C3=C(C(=O)O)[C@@H](O)CC[C@@]3(C)CC[C@@]21C 238776839 LLMHFPULZDGBHG-YZFACWNYSA-N 364.438 2.357 30 1 FEEF C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O 1857667925 KERGHNYTQVNXGH-IBGZPJMESA-N 351.337 2.347 30 1 FEEF CC#CC(=O)Nc1ccc(F)c([C@]2(C)Cc3c(F)cncc3C(N)=N2)c1 199549301 KNKNZKNSQVEDHJ-IBGZPJMESA-N 354.360 2.498 30 1 FEEF CC[C@H](C)C=CC1=CC2=C(Cl)C(=O)[C@@](C)(O)C(=O)C2=CN1CCO 2356389393 UBEZPANUWOHMOG-VOJFVSQTSA-N 351.830 2.060 30 1 FEEF COC1=CC(=O)/C(=C2\N=C(N)NC(C(F)(F)F)=C2c2cscn2)C=C1 104024740 IQVXSYUFNRXGLM-WQLSENKSSA-N 368.340 2.258 30 3 FEEF CCCCCCCNCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 43427358 XPEZTRRHKNMSKY-UHFFFAOYSA-N 355.504 2.348 30 1 FEEF C=C1[C@H](O)[C@]23[C@@H]4C[C@H]1C[C@H]2[C@@]1(CCC[C@@](C)(C=O)[C@H]1C[C@H]3OC(C)=O)C4=O 238752735 ZDNMDOAXDDWWQL-BPDBNSKVSA-N 372.461 2.456 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccccc1NC(=O)CNCCO 587903321 ZNKMKBDGVRIWRP-UHFFFAOYSA-N 358.825 2.269 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 6031898 KCUQHLKAVMLGGV-NILYGNOYSA-N 362.422 2.221 30 1 FEEF N#Cc1cccc(-c2ccc3nc(C(=O)N[C@@H]4CCN(C#N)C4)c(F)n3c2)c1 1857592443 JNGWYURLKFMQRJ-MRXNPFEDSA-N 374.379 2.297 30 1 FEEF N#Cc1ccc2nc(CO[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3F)[nH]c2c1 2356299343 GVMZDZNNIAVVLW-WMLDXEAASA-N 365.368 2.209 30 1 FEEF C=C(C)[C@]12CC#C[C@@H](NC(=N)NC)C[C@]3(O)CC[C@@H]([C@@H]3C1)[C@](C)(O)CC2 85549795 KEHUZRMFADSZNY-CYSNJDBQSA-N 359.514 2.151 30 1 FEEF biogenic,in-vitro C[C@H](O)[C@@H](C)/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C 238752720 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3926422 LHCASPYXLIAHLU-UHFFFAOYSA-N 366.804 2.455 30 1 FEEF CC(C)[C@@H]1C[C@@]23CCCN2C(=O)[C@@]1(C=C1Nc2ccccc2C1=O)NC3=O 2356489499 ZYQGZNMJYUPXGP-DLPLYFIVSA-N 365.433 2.084 30 1 FEEF C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 85800050 ABTNJGAZZKYLLD-FFRXTNJESA-N 362.422 2.111 30 1 FEEF in-man C=C1CC[C@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O 86023446 ZJZYSAJQOPJREK-JCZVPJEOSA-N 374.477 2.354 30 1 FEEF in-man Nc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O 587889717 AHVRFZMFTJRHRC-UHFFFAOYSA-N 350.205 2.387 30 1 FEEF O=C1C=CC(=O)C(c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)=C1 1911576255 GMZGPFUIAGTBKC-UHFFFAOYSA-N 373.412 2.135 30 1 FEEF CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C#N)nc2)c1 84707131 NRKDWVONAGLTKA-UHFFFAOYSA-N 352.419 2.378 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@]3(O)CC[C@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3 142276947 ZYOJIZKOPNSJGE-YBADGAQPSA-N 350.411 2.260 30 1 FEEF O=C(O)C[C@H](O)/C=N/c1cc(Br)cc(Br)c1O 1857653295 TXXMZGCWNGRZRW-MBLXYFMPSA-N 366.993 2.455 30 1 FEEF CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=Nc1ccccc14)[C@@H]1C[C@H]2[C@@H](C=O)[C@@H](C)N13 1772634842 GDXJMOGWONJRHL-AOZJKKJGSA-N 350.418 2.252 30 1 FEEF N#CC1(C#N)N[C@H](c2ccsc2)C(C#N)(C#N)N[C@@H]1c1ccsc1 19365559 CSGZDKYEQBLCIM-ZIAGYGMSSA-N 350.432 2.357 30 1 FEEF C[C@H](O)[C@H](C)C=CC=CC(=O)O[C@@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C 2356688920 RBEFOYGHZLZHIA-FGLAMGKESA-N 360.450 2.500 30 1 FEEF CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](O)C#C[Si](C)(C)C 195028443 CWBQQSBHYVWNKO-HOTGVXAUSA-N 363.486 2.086 30 1 FEEF COc1ccc(S(=O)(=O)N(CCCC(=O)NO)c2ccccc2)cc1 95560219 DVKMWVDFYULORD-UHFFFAOYSA-N 364.423 2.176 30 1 FEEF C=CC[C@@]12C=C(OC)[C@H](O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O 238756132 UIDBVRIGTICCQN-FGHNXTTKSA-N 374.433 2.362 30 1 FEEF COC(=O)[C@@H]1[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@]1(CN2C)O[C@@H]1C 2356746511 BRWYCRLKASLULK-UCRFLNLKSA-N 368.433 2.174 30 1 FEEF C=CCN1C(=O)S[C@@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)C1=O 587037928 ANWVSQKDNWIRRS-ZETCQYMHSA-N 357.317 2.116 30 1 FEEF CNC[C@H](O)CN1CCc2c(cccc2OCc2ccc(C#N)cc2)C1 1857586461 ZKXMFUDCKXVBTF-IBGZPJMESA-N 351.450 2.076 30 1 FEEF C=C[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1C(=COC)C(=O)O 2356613824 ZGSZUQKKUBVUPV-BJIKLQPUSA-N 368.433 2.388 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C\C)[C@H](O)/C(C)=C/CC[C@]1(C)O[C@H]21 238740669 QGMPZWRIDXSGGX-URJZEFALSA-N 362.422 2.221 30 1 FEEF Cc1ccc(S(=O)(=O)NC(=O)ON=Cc2ccc3c(c2)OCO3)cc1 263590966 LLYCGDRZXLZULE-UHFFFAOYSA-N 362.363 2.173 30 3 FEEF C=C[C@H](C1=C[C@@](O)(CC(C)=O)C(OC)=CC1=O)c1ccc(OC)c(O)c1 72109998 YIMDSLZENLJYDM-XOBRGWDASA-N 358.390 2.420 30 1 FEEF biogenic,in-vitro N#Cc1ncc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1F 204947112 ANGNZZOMLYBKDZ-BMIGLBTASA-N 353.361 2.386 30 1 FEEF O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1c1ccccc1O 71317328 NDMRTHXMXDZZBR-JZJYNLBNSA-N 352.375 2.184 30 1 FEEF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)[C@@H](C)O)=C/C[C@H]12 139653642 JTFXNPPZNWSQAJ-UURHDPJDSA-N 364.438 2.063 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(OC)c2)[C@@H]1CO 95667813 SUFCUMOIBOTACO-SVFBPWRDSA-N 366.417 2.187 30 1 FEEF C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=CC2=O 257774416 ZJZYSAJQOPJREK-ZISAFJJISA-N 374.477 2.354 30 1 FEEF endogenous,in-man C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 257512210 PIKIDCPJSQIMHW-HFBUDLOUSA-N 364.438 2.046 30 1 FEEF endogenous,in-man CCCCC[C@@H](O)CCCN(CC#CCCCC(=O)O)S(C)(=O)=O 169346980 BTQVBIGKNVHKRT-MRXNPFEDSA-N 361.504 2.228 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)/C=C\[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 169370132 AXSMKFJOTFGINI-JAMPNILOSA-N 360.406 2.189 30 1 FEEF O=C(CCCCCCN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NO 1857629593 KHXZULLQDRTNGQ-IBGZPJMESA-N 359.426 2.226 30 1 FEEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H](O)[C@@H]12 2356382626 HLVWSNQLQFQXIU-XILPYWAXSA-N 362.422 2.221 30 1 FEEF C[C@@H]1C[C@@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@@](O)([C@H]24)[C@@H]1C)OCO5 2356437931 MMISHXZAVRHZLQ-NADRZMKCSA-N 372.373 2.071 30 1 FEEF C=C(C)[C@@H]1CC[C@@]2(O)C(=O)O[C@H]3C[C@@](C)(CC(=O)C=C(C)C(=O)C1)O[C@H]32 2356538467 FPMOPBCTUVNARK-GKQNRZDQSA-N 362.422 2.041 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C/C(C)=C/CC[C@@]1(CO)O[C@H]21 238758687 OMABZDYFTUAZPH-HOPNYVBJSA-N 362.422 2.222 30 1 FEEF biogenic C[C@H]1[C@H]2C[C@@]34COC(=O)[C@@H]3C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 95914494 CYIQXXCGDFOHBI-LOQVONRYSA-N 358.390 2.439 30 1 FEEF biogenic,in-vitro CC(C)C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 95897487 LNTBULLJMFLXLX-HKBOAZHASA-N 366.461 2.300 30 1 FEEF Cc1cccc(S(=O)(=O)N(C)/N=C/c2cnn3ccc(Cl)nc23)c1 473114675 OPFFMYGRWXUDIA-RQZCQDPDSA-N 363.830 2.346 30 1 FEEF C#CCOc1ccccc1OCc1ccccc1/C(=N\OC)C(=O)NC 103179268 FUVBAXLEGMXWEK-ZBJSNUHESA-N 352.390 2.374 30 1 FEEF CCCCCCC[C@H](O)[C@@H]1C(=O)O[C@]2(C)C(=O)C3=C(COC3=O)C[C@@H]12 2356722189 ZZAXCVQQCOPGFS-AEVLCDIHSA-N 350.411 2.082 30 1 FEEF C/C=C(/C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 85725302 FNOWQNASVNSUCO-NVXYBZNCSA-N 360.406 2.180 30 1 FEEF CN1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO 95875610 DBDSPFKQKXGBRZ-BHIFYINESA-N 368.521 2.198 30 1 FEEF CN=c1scc(C)n1N/C=C1\C=C(Br)C(=O)C(OC)=C1 263592065 JVVFQYRPGNJBAG-OBASGXHRSA-N 356.245 2.208 30 3 FEEF Nc1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccn2n1 587891240 USRSDRKZOFNOAT-UHFFFAOYSA-N 374.231 2.329 30 1 FEEF CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=NNc1ccccc1 2356446727 PUVWGXMGGBRWEP-UHFFFAOYSA-N 358.379 2.124 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@@](C)(C(=O)O)CCC[C@]13C=O 85800053 XIYAYYIGCSWTQO-ZQYFAWOVSA-N 362.422 2.111 30 1 FEEF in-man C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C[C@H](C)CO)[C@@H]12 238740163 AZJBNIAMAOUEAH-BHKYLZESSA-N 364.438 2.063 30 1 FEEF biogenic COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)NCCO)cc1 587918390 POBUWFIUTLYYOJ-UHFFFAOYSA-N 365.838 2.019 30 1 FEEF CCN1CCN(Cc2nc3ccc(C#N)cc3c(=O)n2-c2ccccc2)CC1 169304244 APNOTAXXIBCCBA-UHFFFAOYSA-N 373.460 2.395 30 1 FEEF Cc1nc(/N=C(\N)NCCc2ccccc2)nc(C)c1OCCCN(C)C 28376707 SKBFKQGIZHTDGM-UHFFFAOYSA-N 370.501 2.202 30 1 FEEF N#Cc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCCC2)c1 2356851135 QESACZJGXOUZSM-QWFCFKBJSA-N 367.497 2.486 30 1 FEEF C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@@H]2OC(=O)[C@]3(C[C@H](C)O3)[C@@H]21 85899558 CARWXVQCHUGFKF-SRZCGVOOSA-N 374.433 2.078 30 1 FEEF biogenic O=C(NO)c1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1 584905435 SEKOPSVILCFYRX-UHFFFAOYSA-N 372.402 2.477 30 1 FEEF in-vitro C/N=C(/S)[C@]1(c2cccnc2)CCCC/C1=C\C=N\OC[C@H](O)CO 13589999 AAVAAXWYZZHZJN-WHFFAGRVSA-N 363.483 2.134 30 1 FEEF Cc1c(F)ccc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 26156889 VHAHVEMHEQBVOG-UHFFFAOYSA-N 350.404 2.358 30 1 FEEF CC=C(C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)C(C)=C[C@@H]3OC(=O)[C@@]1(C)[C@H]32 2356524897 FNOWQNASVNSUCO-QDJWUEDKSA-N 360.406 2.180 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@@]1(O)O[C@@H](CC3=C(C(C)C)C(=O)[C@]31C)[C@H]2C 2356323557 CXFHESAIKJRWBJ-UOYXUKFLSA-N 362.466 2.369 30 1 FEEF COC1=CCC[C@@H]2[C@](C=O)(C1)C[C@@H](C)[C@]2(CO)CCC(=CCO)CO 2356329924 NETVPTGIEMOTDY-GEALJGNFSA-N 352.471 2.212 30 1 FEEF CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@]2(C)CC1=O)O[C@@H](CO)C4 212357930 HLVWBJFRUYSKIP-CFMSYZGJSA-N 356.374 2.083 30 1 FEEF C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@@H]12 29126837 DFSKMMSUPHINPX-BRTARUFTSA-N 354.391 2.010 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@@H](OC(=O)CC(C)C)[C@@H]12 2356509015 YMHYVSXJGCGNDL-ZHALLVOQSA-N 364.438 2.063 30 1 FEEF COc1cccc2c1C(=O)C=C[C@@]21O[C@@H]2c3c1ccc(O)c3C(=O)[C@@H]1O[C@@H]12 2356666848 FQIHWVHVGPUELH-PLACYPQZSA-N 362.337 2.432 30 1 FEEF C[C@@](CCc1ccc(OC2CCCC2)cc1)(C(=O)NO)S(C)(=O)=O 73313007 WGMNEOKBHBLTGZ-QGZVFWFLSA-N 355.456 2.249 30 1 FEEF C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 238753346 ABTNJGAZZKYLLD-GZUHGUOESA-N 362.422 2.111 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCC1=CCS(=O)(=O)C1 587896160 KCWWFISTFBVIAK-UHFFFAOYSA-N 372.273 2.400 30 1 FEEF N#Cc1nc(N)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587897389 ALVHEYYHZMODPO-UHFFFAOYSA-N 365.245 2.614 30 1 FEEF CCN(CC)CC/N=C/c1c(O)nc(=O)n(CCC2=CCCCC2)c1O 1779674948 AIOOWQCXLKHSMO-XSFVSMFZSA-N 362.474 2.306 30 1 FEEF C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](O)[C@H](O)[C@@H](C)CCC/C(C)=C/CC[C@@]2(C)O 5845222 BUWBYKNJAXDGRB-JJFWNEBZSA-N 352.471 2.494 30 1 FEEF CCN(CC)C1=CC(=O)/C(=C/NNC(=S)NCc2ccccc2)C=C1 13119267 DMJODTYRFPOVMB-JQIJEIRASA-N 356.495 2.404 30 3 FEEF Cc1cc(-c2csc(N=C(N)N)n2)cn1S(=O)(=O)c1ccccc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c1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2n1 587890738 CABWMGMGAMNXDH-UHFFFAOYSA-N 374.231 2.329 30 1 FEEF CN1CCc2cnn(C)c2[C@H]1c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 963953627 BMMXSQCOMPPTNW-QGZVFWFLSA-N 371.265 2.436 30 1 FEEF CN1CCN(CC#CCN2c3cccnc3Sc3cccnc32)CC1 1857749690 VQOAAEPYTQVTSE-UHFFFAOYSA-N 351.479 2.330 30 1 FEEF C[C@]12CCC[C@]3(C)[C@@H]1[C@H](C[C@]1(CO1)[C@@]31CC[C@@]3(CCOC3=O)O1)OC2=O 2356379315 PNDHVSKKANSYRU-GMEUBQBXSA-N 362.422 2.132 30 1 FEEF C=C[C@]1(C)C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@@H]2C[C@H](C)C1=O 2356452277 KUBCFNJIKFBWBC-KOESHRMJSA-N 362.422 2.126 30 1 FEEF N#Cc1c(N)nc(SCCN2CCOCC2)c(C#N)c1-c1ccco1 35087265 ONSWTLZYDBTMGT-UHFFFAOYSA-N 355.423 2.091 30 1 FEEF CN1CCN(CC#CCN2c3ccncc3Sc3ccncc32)CC1 1857631032 SPAHMFGVWFRLMP-UHFFFAOYSA-N 351.479 2.330 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC[C@]3(C)O[C@@H]3[C@H](OC(=O)C(C)=CC)[C@H]12 2356495120 GICGZKVUKMMVJE-MCQTYVBJSA-N 362.422 2.221 30 1 FEEF CC=C(C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](O)[C@H](C)[C@@]21C)OC(=O)[C@@H]3C 2356583749 FYNKIYMILKEXOG-AMHCDYHDSA-N 364.438 2.340 30 1 FEEF COc1cccc2c1C(=O)C=C[C@@]21O[C@@H]2c3c1ccc(O)c3C(=O)[C@H]1O[C@H]12 2356666847 FQIHWVHVGPUELH-MXEMCNAFSA-N 362.337 2.432 30 1 FEEF COC1=C[C@@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2ccccc2C1=O 962899144 OLBVJKHLPOWDFG-JXFKEZNVSA-N 353.349 2.395 30 1 FEEF Cc1ccc(O)c(/C=N/NC(=S)NN=C2C(=O)Nc3ccc(C)cc32)c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c3ccc(-c4ccc(C#N)cc4)cc3OC[C@@H]12 73161371 SWXWZYSSCMGZLL-HKUYNNGSSA-N 363.373 2.448 30 1 FEEF C=C1C[C@@H](CC)C(=O)O[C@@H]2CC[C@]3(C)CC=C(COC(=O)[C@@]1(C)O)[N+]23[O-] 238733410 OYUWUNNAOJAFSE-GTDXACRKSA-N 365.426 2.291 30 1 FEEF CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 256297398 IGDIDZAQDRAJRB-LOXVXLSQSA-N 350.411 2.154 30 1 FEEF endogenous,in-man N#C/C(C(N)=O)=c1\ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31N=2 13116316 OHWJDSSZXTZAES-BHOJHYFQSA-N 360.461 2.404 30 1 FEEF COc1ccc(NC(=S)NNC(=S)N/N=C(\C)c2ccccn2)cc1 13650683 RVJUBFQMYIUTPC-YBFXNURJSA-N 374.495 2.180 30 1 FEEF NS(=O)(=O)c1cc(/C(O)=N/N2C[C@H]3[C@@H]4CC[C@H](C4)[C@H]3C2)ccc1Cl 100053366 UHLOVGKIEARANS-WFFHOREQSA-N 369.874 2.185 30 1 FEEF world O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)[C@H](O)[C@@H](O)[C@@H]3O 2356323510 LYFFSXMYKSNTOT-AABGKKOBSA-N 350.326 2.055 30 1 FEEF Cc1cc(O)c(C2=C(C(=O)O)C(=O)c3c(O)cccc3C2=O)c(C=O)c1 62611336 HOPILBBXJLVQDY-UHFFFAOYSA-N 352.298 2.136 30 1 FEEF in-vitro CC#Cc1cncc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)CO3)c1 218010788 KPXCLUUQECRYFF-OAQYLSRUSA-N 361.401 2.069 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)[C@H](C)CC)C[C@@H](CO)CCC=C(C)[C@H]2O 2356438462 GVSRLFWWDZXDPH-UYQOLRSXSA-N 366.454 2.142 30 1 FEEF C=C1CC[C@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O 86023440 ZJZYSAJQOPJREK-HLIWCLHYSA-N 374.477 2.354 30 1 FEEF in-man N#CCNC(=O)[C@@H](COCc1ccccc1)NC(=O)OCc1ccccc1 82065696 GFRJTGWPGSUQHR-GOSISDBHSA-N 367.405 2.138 30 1 FEEF Nc1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccn2n1 587891177 RIJUOHKBKBCZLK-UHFFFAOYSA-N 374.231 2.329 30 1 FEEF NC(=O)Cc1ccc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)cc1 13125507 OALZBFZTABHCMS-UHFFFAOYSA-N 370.412 2.498 30 3 FEEF Cc1ccccc1-c1ccc(CN2[C@@H](C(=O)NO)CCS2(=O)=O)cc1 13579364 QDICWLMZEKDVEQ-QGZVFWFLSA-N 360.435 2.072 30 1 FEEF O=C1C=CC=C/C1=C(/S)N1CCN(/C(S)=C2\C=CC=CC2=O)CC1 104020091 GJWMRPKPYFNIMO-JTFWXBGUSA-N 358.488 2.277 30 3 FEEF C=CCN(C)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(N(C)C)cc1 2356286127 TZBAJGYVKONBAK-ZVDOUQERSA-N 370.541 2.311 30 1 FEEF C=CCNC(=O)N1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 61688099 SRLLDUJGSZBTRJ-KRWDZBQOSA-N 358.486 2.177 30 3 FEEF CC[C@H](C=C(C)C=CC(O)=C1C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O)CO 2356505579 JEPJHUQQXXYAIP-PBHICJAKSA-N 371.433 2.335 30 1 FEEF CO[C@@H]1C=C([C@H](O)c2ccc(C#N)cc2)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 71281693 ZBJWOEMOJYLMTN-IXDOHACOSA-N 373.405 2.048 30 1 FEEF CN[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 222973428 ZJVAPWGNXJYTTE-DIOULYMOSA-N 356.405 2.317 30 1 FEEF N#Cc1ccc(Oc2ccc3nc(C(=O)N4CCNC(=O)C4)ccc3c2)cc1 584599210 UIRSBGBGMNVBDA-UHFFFAOYSA-N 372.384 2.471 30 1 FEEF C=CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O 45391232 VLZSBCXHJFOEMJ-UHFFFAOYSA-N 368.418 2.366 30 1 FEEF C[C@@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 95876985 QJZIHDAGXDAYFK-LMDOGRNLSA-N 368.521 2.053 30 1 FEEF COC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO 29134798 ZSKKLMIULIVRSI-XLIONFOSSA-N 355.390 2.493 30 1 FEEF CCCCCCCc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 137532754 MTIZSFPCLTWSOD-ARFHVFGLSA-N 350.415 2.143 30 1 FEEF C#CCNC(=O)C1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587754750 KYIHUWIMXXNXJU-JJMSQDNMSA-N 365.246 2.477 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)CC(C)=C[C@H](O)C[C@@]1(C)O[C@H]21 2356447029 JPBAIMOXIINYNI-OFGOXUBESA-N 362.422 2.221 30 1 FEEF CCOC[C@@H](COc1cccc(NC(=O)CC[S+](C)C)c1)OC(C)=O 26992150 BCJIHYXQCWCVFF-KRWDZBQOSA-O 370.491 2.240 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12 238735889 DZTWAOVNNLDWNH-XIEVETGUSA-N 362.422 2.221 30 1 FEEF Cc1[nH]nc(C(=O)O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880548 QUHOFGQNNLZNGS-UHFFFAOYSA-N 366.204 2.434 30 1 FEEF COCCCN/C(N)=N\c1nc(-c2cccc(CNC(C)=O)c2)cs1 13558337 AMCGQJYNPXTSIT-UHFFFAOYSA-N 361.471 2.019 30 1 FEEF CC#CCOc1ccc(S(=O)(=O)[C@H](C(=O)NO)c2ccccc2)cc1 13585976 XWQYRXPGPDOWAJ-KRWDZBQOSA-N 359.403 2.109 30 1 FEEF C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(OC)ccc1OC 101928596 HLEYJSQUESAVIU-IDTYTIONSA-N 357.370 2.358 30 1 FEEF N#Cc1ccc(N2CCN(CCNC(=O)c3ccc(F)cc3)CC2)cc1 64503527 SEMQFIQYEGHERX-UHFFFAOYSA-N 352.413 2.249 30 1 FEEF COc1cccc2c1C(=O)C=C[C@@]21O[C@H]2c3c1ccc(O)c3C(=O)C[C@H]2O 2356567012 CQWJYJYKRYUHNR-IPHXSNPTSA-N 364.353 2.416 30 1 FEEF C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@H](C)O3)[C@H]12 238739127 CARWXVQCHUGFKF-YCNBMKSMSA-N 374.433 2.078 30 1 FEEF C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O 257512211 PIKIDCPJSQIMHW-HSVUOORVSA-N 364.438 2.046 30 1 FEEF endogenous,in-man C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C(C(=O)O)=C[C@@]43C)[C@H]1CC[C@@]2(C)O 2356342993 JOFBZBDWOWPUMO-UBUCRAQCSA-N 360.450 2.471 30 1 FEEF O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N/OCCOCCO 102983339 LFJXNFASZMMIBT-YQSYOFKPSA-N 365.389 2.205 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H]3O[C@@](O)(C=C3C)[C@H](C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356570461 JHAIOJGPPHPVOU-LHFCKMJTSA-N 362.422 2.426 30 1 FEEF CC(C)=CCC[C@H](C)C1=C(O)C(=O)C(C)=C([C@@H]2C[C@@H](O)[C@@H](CO)O2)C1=O 2356796891 NPGIBAZKDFBMGD-PMOUVXMZSA-N 364.438 2.160 30 1 FEEF N#C[C@H]1CCC2(C[C@@H]1n1cc(C(N)=O)c(Nc3ccccc3)n1)OCCO2 218555199 GOYVGGAPXFQVDR-CJNGLKHVSA-N 367.409 2.333 30 1 FEEF CC(C)[C@H]1C[C@]23CCCN2C(=O)[C@@]1(/C=C1/Nc2ccccc2C1=O)NC3=O 238767817 ZYQGZNMJYUPXGP-UHLHXMDGSA-N 365.433 2.084 30 1 FEEF COc1ccc(Cn2cc(C(=O)NO)c(=O)c3c(F)ccc(F)c32)cc1 96906821 NNULPWQVXSWBIB-UHFFFAOYSA-N 360.316 2.456 30 1 FEEF CC(C)=CC[C@@H](O)/C(C)=C/C[C@H](O)[C@]1(CO)O[C@H]1CC/C(C)=C\CO 238735989 AQSPUIOEGRVAJI-LQOYPHAOSA-N 354.487 2.250 30 1 FEEF COC(=O)[C@H]1[C@@H]2CC(=O)c3[nH]c4ccccc4c3C[C@@H]1N(C)C=C2C(C)=O 299841088 XUMIPNQUXRLEBO-FMEYXAORSA-N 366.417 2.489 30 1 FEEF Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)n1 587881013 DWYRGLRPAXWUFB-UHFFFAOYSA-N 350.205 2.387 30 1 FEEF C=CCN1C[C@H](N=c2[nH]c3cc[nH]c3c(=O)n2C)C[C@H](c2ccccc2)C1 1857592310 NKLONURTQFZVHM-DLBZAZTESA-N 363.465 2.140 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(COC(=O)[C@H](C)CC)CCC=C(CO)C[C@@H](O)[C@@H]12 2356417646 HUNFBQHAFCSAPW-BDQAWRDZSA-N 364.438 2.063 30 1 FEEF COc1cc(OC)c2c(c1OC)C(=O)C(C[C@H](C)OC(C)=O)=C(O)C2=O 14585046 NDUVOYIKKLBPPA-QMMMGPOBSA-N 364.350 2.245 30 1 FEEF biogenic O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1c1cccc(O)c1 71316683 XNWYBFAVIGIZHG-JZJYNLBNSA-N 352.375 2.184 30 1 FEEF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCC#N 82192759 KKIYCJMQQBONRO-YUTZCPGQSA-N 355.438 2.169 30 1 FEEF N#Cc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 587134621 RJYKEASJIOSCPE-UHFFFAOYSA-N 366.324 2.330 30 1 FEEF N#C[C@H](C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)C1CC1 841681 HQBMIRGHILAZRB-NSHDSACASA-N 360.313 2.037 30 1 FEEF C=C1C[C@@]23C[C@H]1CC(=O)[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O 2356505554 ILPKURFMXAVTPZ-YJGHRZKUSA-N 362.422 2.111 30 1 FEEF N#Cc1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1 40891784 MNFQKQFALPLTFJ-ZDUSSCGKSA-N 369.450 2.259 30 1 FEEF COc1ccc(CN(CCC(=O)NO)Cc2cccc(C(=O)O)c2)cc1 1857759301 HIHIIHQJMMXXOW-UHFFFAOYSA-N 358.394 2.291 30 1 FEEF COc1ccc2nc3n(c2c1)[C@H](CNC(=O)c1ccc(C#N)cc1)COC3 2356389252 NSXDZYNRBIMVCR-OAHLLOKOSA-N 362.389 2.418 30 1 FEEF C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@@H]12 101488252 DFSKMMSUPHINPX-YNHQPCIGSA-N 354.391 2.010 30 1 FEEF CC1=CC(=O)[C@H](C(C)C)C[C@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@@](C)(O)C(=O)CC1 2356747781 XTTHQGPLWSYZEC-NRAVYYBTSA-N 366.454 2.367 30 1 FEEF C=C1[C@H](O)[C@]23C[C@H]1CC[C@@]2(O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O 238758038 QPCQAXAGGHUPGC-VJDBPIJISA-N 350.455 2.097 30 1 FEEF C[C@H](O)C#Cc1ccc([C@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1 95876988 QJZIHDAGXDAYFK-DWJNZPNVSA-N 368.521 2.053 30 1 FEEF O=CC(C=O)c1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] 587262590 YLDIHTHZOPUMOY-UHFFFAOYSA-N 353.290 2.318 30 1 FEEF CC(C)CNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@H]1F 28868153 QYWYVEGYSVLIEY-JKSUJKDBSA-N 352.381 2.118 30 1 FEEF C=C1C[C@]23CC[C@@]1(O)C[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 238760699 WGYAERWVUYZRAO-DCTHVCBSSA-N 362.422 2.255 30 1 FEEF CN1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO 95875614 DBDSPFKQKXGBRZ-FSSWDIPSSA-N 368.521 2.198 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2nccnc2n1 587889712 UZFKFIKSVHGVGY-UHFFFAOYSA-N 372.215 2.437 30 1 FEEF C=CC[C@]12C[C@H](OC)C(=O)[C@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O 685935625 ZNGCYIWYDPGZIU-FMJHNIPESA-N 374.433 2.445 30 1 FEEF biogenic,in-vitro Cc1ccc(-n2nnnc2CSC2=NNC(=C3C=CC(=O)C=C3)O2)cc1 104008526 HPKYVONFBCOGPP-UHFFFAOYSA-N 366.406 2.001 30 3 FEEF CC1=C(/C=C/C(=O)C=C(N2CCNCC2)N2CCNCC2)C(C)(C)CCC1 28707649 SBMPUPITRQYZDY-VOTSOKGWSA-N 372.557 2.290 30 1 FEEF 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357.406 2.375 30 1 FEEF COC(=O)c1nc2n(n1)[C@H](c1ccccc1OC)C1=C(CCCC1=O)N2 13123671 OBYOZCNSQWSNBQ-OAHLLOKOSA-N 354.366 2.095 30 3 FEEF CC(C)C1=C[C@@H]2O[C@]2(C)CCC[C@H](CO)C(=O)CC[C@@H](C)[C@@H](O)C1=O 2356384632 UOCSSAQKXPCRQA-TYQQRYPHSA-N 352.471 2.434 30 1 FEEF C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)[C@H](C)O)=C/C[C@H]12 28572359 JTFXNPPZNWSQAJ-JNEHNMLRSA-N 364.438 2.063 30 1 FEEF C[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N 95555218 XCKRDANFKQJNSM-BHIYHBOVSA-N 368.481 2.170 30 1 FEEF C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(/C=C/C(=O)NO)cc1 299854387 XSPCNQCXKLBQPJ-HRZVIGLNSA-N 365.433 2.440 30 1 FEEF COc1ccc(S(N)(=O)=O)c(C#Cc2cc(Cl)ccc2OC)c1 587918621 ZXAHFTCTLXLSNR-UHFFFAOYSA-N 351.811 2.404 30 1 FEEF N#Cc1nc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2nc1C#N 587169081 UPWYXUNOZUURQD-UHFFFAOYSA-N 371.339 2.360 30 1 FEEF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C=CC(=CC(=O)O)C(=O)O 2356425680 IMDVHFGRDJPERC-HGDKKCICSA-N 364.438 2.380 30 1 FEEF CC(C)/C1=C\[C@@H]2O[C@]2(C)CC/C=C(/CO)C(=O)CC[C@@H](C)[C@H](O)C1=O 105579111 REPYAYNHFYOZHS-BKWXXPONSA-N 350.455 2.354 30 1 FEEF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC/C(C)=N/OC 29334298 GHRFSBVRHNZRAR-CIAFOILYSA-N 370.881 2.395 30 1 FEEF C#CCN1CCN(CC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 22940466 CLVWIZLXTZIKFZ-QFIPXVFZSA-N 354.494 2.274 30 1 FEEF Cc1cccc2c1c(/C=N/NC(=N)N)cn2S(=O)(=O)c1ccccc1 64559066 KYJJINPOLMJGMP-KEBDBYFISA-N 355.423 2.004 30 1 FEEF Cc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)cc1 82065006 GBCIDXRBCWIYBE-SFHVURJKSA-N 351.406 2.472 30 1 FEEF C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]1(C=O)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 238768866 JZBLVVPDEDCVQA-MDZCHTTNSA-N 362.422 2.111 30 1 FEEF Cc1ccccc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(Cl)nc12 473114336 MVCPWLSPXUGHMG-RQZCQDPDSA-N 363.830 2.346 30 1 FEEF CC#CCOc1ccc([S@@](=O)[C@H](C(=O)NO)c2ccc(OC)cc2)cc1 13585984 PCASIOOVBSODBH-QYBDOPJKSA-N 373.430 2.452 30 1 FEEF C=CC(C)(C)c1[nH]cnc1C=C1NC(=O)[C@H](Cc2ccccc2)NC1=O 2356712576 GWMHBVLPNWHWGW-HNNXBMFYSA-N 350.422 2.072 30 1 FEEF COc1ccc(/C=C/C(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1OC 40973277 QPXCESUENPDHKS-CSKARUKUSA-N 366.373 2.328 30 1 FEEF C=C[C@@]1(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)C1=O 525914828 KUBCFNJIKFBWBC-WBZORREMSA-N 362.422 2.126 30 1 FEEF biogenic N#Cc1nc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2nc1C#N 587114593 UZLWLHAOAFKJDW-JTQLQIEISA-N 357.299 2.358 30 1 FEEF NC(N)=N/N=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sccn12 13219903 XOYZTUDMUAFNPF-UBKPWBPPSA-N 363.790 2.232 30 1 FEEF COc1cc(/C(N)=N/O)ccc1-c1cc(-c2ccc(/C(N)=N/O)cc2)no1 103226123 LAVDDHGJTVCBNB-UHFFFAOYSA-N 367.365 2.206 30 1 FEEF CC(C)(C)[C@@H](NC(=O)C[C@@H](N)C(=O)N1CCC[C@H]1C#N)c1ccccc1 38321520 MDZKYXKTFWHKLJ-JZXOWHBKSA-N 356.470 2.122 30 1 FEEF C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 238751490 SEDBAGHKXIEGAI-FAERMCNPSA-N 360.406 2.319 30 1 FEEF CC(C)[C@H](O)c1cc(C#Cc2cc(C(N)=O)c(NC(N)=O)s2)cs1 28524578 NRMDPQABFQCJPG-ZDUSSCGKSA-N 363.464 2.488 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC[C@]3(C)O[C@@H]3[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356495122 GICGZKVUKMMVJE-VPMDVIDWSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@H](C=C(C)CO)[C@H]1[C@@H](CC(C)=CCO)OC(=O)C(C)=CC 2356544176 GHEIESSKOYFMTB-KZNAEPCWSA-N 364.438 2.230 30 1 FEEF CON1C(=O)[C@]2(C[C@H]3N=C([C@]4(C)O[C@@H]4C)[C@H]4C[C@H]2OC[C@H]43)c2ccccc21 2356418859 YTLNWRIGWUSICE-NVKHRBCLSA-N 368.433 2.258 30 1 FEEF CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)C(=O)C=C[C@]1(C)O 2356685924 LGZPXBXIIGFHEV-WEFWDAIHSA-N 368.470 2.063 30 1 FEEF CN[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 222973359 ZJVAPWGNXJYTTE-DJSGYFEHSA-N 356.405 2.317 30 1 FEEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H]1O[C@@]1(C)CC[C@@H](O)[C@@](C)(O)CCC2=O 238738543 XKBRDBANUUJFAR-ZWQQCZGGSA-N 366.454 2.057 30 1 FEEF C=C1C(=O)O[C@H]2C/C(COC(=O)/C(C)=C/C)=C/CC[C@]3(C)O[C@@H]3[C@@H](O)[C@H]12 238749764 KDWPCCAWYRSQIW-CUTZIAFZSA-N 362.422 2.222 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 4098121 DZTWAOVNNLDWNH-AUWKULLQSA-N 362.422 2.221 30 1 FEEF biogenic,in-vitro C=CC[C@@H]1C=C[C@@H](O/N=C\[C@@H](OC)[C@H](C)/C=C\CC(=O)OC)[C@@H](CO)O1 7998427 NQDPESUEMMIBLG-HMTMVWTFSA-N 367.442 2.020 30 1 FEEF COc1ccc2c(=O)n(C[C@H](O)CO)c(C#N)c(-c3cccc(F)c3)c2c1 38149669 BUXRKQONBGINRO-AWEZNQCLSA-N 368.364 2.041 30 1 FEEF C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(CN(CCO)C1)[C@H]2C[C@H]3O 169312937 ALOGHCORLIBWQH-AEFRDVJXSA-N 359.510 2.393 30 1 FEEF C=[N+]([O-])c1cccc([C@@H](COC)Nc2ncnc3c(C(N)=O)cccc23)c1 166960061 AEUVEBFUSMASLJ-MRXNPFEDSA-N 365.393 2.371 30 1 FEEF Cc1ccc(S(=O)(=O)ON2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1 100791785 VFWNTMHBHOXILR-OAHLLOKOSA-N 359.403 2.233 30 1 FEEF O=C(NO)c1cnc(N2CCN(Cc3ccc4ccccc4c3)CC2)nc1 38459310 XCYPPRCLPXVRLG-UHFFFAOYSA-N 363.421 2.071 30 1 FEEF N#CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1 82065685 PLPATWLLVSMRPF-QGZVFWFLSA-N 355.369 2.303 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 238747231 ISMGLGABBJABGX-WIRZCNKNSA-N 362.422 2.221 30 1 FEEF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@H]1[N+](=O)[O-] 587389528 LNRNBFQQZNIWRL-AEFFLSMTSA-N 354.318 2.002 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)C=C(C)C)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 15158338 UMHQHFHQQZZQGN-JVBUFHKGSA-N 364.438 2.301 30 1 FEEF endogenous,in-man COC(=O)/C1=C2\Nc3ccccc3[C@@]23CCN(C/C=C\[C@@](C)(C=O)C1)C3=O 156705374 NSBBIRUCLLBOMJ-UTWGAPDISA-N 366.417 2.174 30 1 FEEF C=C1C[C@H](O)[C@@H]2O[C@]2(C)CC[C@@H]2C(=CC=CC(C)(C)O)CO[C@@H](O)[C@@H]12 2356401416 DHRXCNMOCBONRV-DGYXETDDSA-N 350.455 2.079 30 1 FEEF O=C(C=Cc1ccc(O)c(O)c1)C[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2356609547 FLOHMUHVWAXLJI-CYBMUJFWSA-N 358.346 2.425 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]nc1[N+](=O)[O-] 587888536 MQRQXCRSLYWDKU-UHFFFAOYSA-N 353.165 2.335 30 1 FEEF N#Cc1cccc(CN2CCC(=O)N([C@H](CO)Cc3ccccc3)CC2)c1 12474608 WJQIYZXFWXLZDC-NRFANRHFSA-N 363.461 2.196 30 3 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC(=O)[C@](C)(O)C[C@H](OC(=O)CC(C)C)[C@H]12 2356378652 RVCMUXPMWKHFFZ-BAAGSCJXSA-N 364.438 2.492 30 1 FEEF CC1(C)Oc2c(O)cc(C=CC(=O)c3ccc(O)cc3O)cc2[C@@H](O)[C@@H]1O 2356392249 VRYBZCIONJZZPL-MJGOQNOKSA-N 372.373 2.265 30 1 FEEF C[C@@](CCc1ccc(OCCC2CC2)cc1)(C(=O)NO)S(C)(=O)=O 112937308 WZRIGRWLBKRHBP-QGZVFWFLSA-N 355.456 2.107 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)[C@@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 85678070 UMHQHFHQQZZQGN-XVFAHEGFSA-N 364.438 2.301 30 1 FEEF in-man C[C@@]12CCCC(CO)(CO)[C@H]1CC[C@H](C=O)[C@H]2CCC1=CCOC1=O 238777422 DNDBWPONLLYRKA-VXNCWWDNSA-N 350.455 2.252 30 1 FEEF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]2(C)[C@@]1(O)C(=O)CO 253636736 PIDANAQULIKBQS-SGBNHYPGSA-N 372.461 2.012 30 1 FEEF COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(C#N)cc1 473146867 DPQRMDKNZVSBPQ-UHFFFAOYSA-N 370.800 2.346 30 1 FEEF COc1ccc(C#Cc2cccc(C(=O)O)c2)cc1Cc1cnc(N)nc1N 13559769 FDATUBLGQYKORE-UHFFFAOYSA-N 374.400 2.338 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@@]1(O)O[C@@H](CC3=C(C(C)C)C(=O)[C@@]31C)[C@@H]2C 2356323558 CXFHESAIKJRWBJ-WDQPNMQLSA-N 362.466 2.369 30 1 FEEF CCCCCCCC1=CC2=CC(=O)O[C@]2(C)[C@](C)(O)[C@]1(O)C(=O)OC 2356701127 VHXMUQYFTZWCCK-GBESFXJTSA-N 352.427 2.184 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12 15157883 DZTWAOVNNLDWNH-GERQBTKESA-N 362.422 2.221 30 1 FEEF endogenous,in-man Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO)ccc1F 219047641 ZVJSGLFNUKONDD-CYBMUJFWSA-N 366.414 2.219 30 1 FEEF in-vitro C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC[C@@]3(C)O[C@@H]3[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238756895 HNWIPRKPCPRBTK-LWNYPKMUSA-N 362.422 2.461 30 1 FEEF O=C(CCS)NCCCCNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 653706000 KAQOKEYNQNIRSZ-UHFFFAOYSA-N 364.446 2.162 30 1 FEEF C=C1NN(C)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587767381 IVRDPOKOSGJZQJ-ANRSDYALSA-N 354.223 2.198 30 1 FEEF COc1ccc([C@@H]2NC3=C(CCCC3)[C@@]3(C#N)C(=O)N=C(N)[C@]23C#N)cc1 5924186 HXZAFDZRTPBTFB-VDGAXYAQSA-N 361.405 2.085 30 1 FEEF CN1CCN(c2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)CC1 1857572803 PUEWTSRRADWACB-AQTBWJFISA-N 363.417 2.154 30 1 FEEF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN(CC=C[C@@](C)(C=O)C1)C3=O 2356435013 NSBBIRUCLLBOMJ-RTWAWAEBSA-N 366.417 2.174 30 1 FEEF CCCCCCC[C@H](O)C[C@H](O)C[C@@H](O)C[C@@H]1C[C@H]2C[C@@H](CC(=O)O2)O1 2356632899 JUGNVZAVZDAHMJ-YCOHNSLCSA-N 372.502 2.463 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@@]21COC(=O)CC(C)C 2356680084 SUDKBMHWMTVRSC-VITHAQFBSA-N 364.438 2.184 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@]21COC(=O)CC(C)C 2356680086 SUDKBMHWMTVRSC-VLGSXBFTSA-N 364.438 2.184 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccc(F)cc2)[C@@H]1CO 95667908 MDUKBQJNNTZDSK-SQNIBIBYSA-N 360.410 2.105 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 523041535 KCUQHLKAVMLGGV-JHHUZQNPSA-N 362.422 2.221 30 1 FEEF biogenic COC1=C/C(=C/NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@H]23)C=CC1=O 263591767 AMXQBWNFOUXLAL-IULKGGAYSA-N 357.479 2.109 30 3 FEEF CO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C\Nc1ccccc1S(N)(=O)=O 653851645 LACMUKRBDRISHX-LVMGUKCRSA-N 374.418 2.186 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncn2cnnc12 587890994 IVVFIUYJRRRACU-UHFFFAOYSA-N 360.204 2.142 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)C(=O)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 15059098 QZRJGJCGCXCSOM-RJQPGBQBSA-N 360.406 2.429 30 1 FEEF Cc1nc(N2CCC[C@@H](C(=O)NCCc3ccc(C#N)cc3)C2)ncc1F 169310216 UPLHOFGXQVHXHZ-QGZVFWFLSA-N 367.428 2.371 30 1 FEEF C#CCOc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 1857628150 QMTGPOURXMXACG-UHFFFAOYSA-N 357.373 2.141 30 1 FEEF C[C@H]1CC/C(=N/Nc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 101177404 QZXBQMNTUAHQPZ-BJTBEYEDSA-N 362.773 2.472 30 1 FEEF C=C1[C@H](O)[C@@]23C[C@H]1CC[C@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100781465 XIYAYYIGCSWTQO-ZFUCNUEDSA-N 362.422 2.111 30 1 FEEF endogenous,in-man C=CCc1cc(CC(=O)OCC)ccc1C#C[C@]1(O)CN2CCC1CC2 27656562 FDLZKAPZVFQDSR-QFIPXVFZSA-N 353.462 2.329 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)[C@](C)(O)[C@@H](C)O)[C@@H]12 2356578927 KVJTZBSGBYRUOR-GFAJBQDWSA-N 364.438 2.204 30 1 FEEF O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@H]2C1=O 195274650 XMQHZQOROCXRRA-WHOHXGKFSA-N 362.179 2.352 30 1 FEEF N#C/C(=N\O)C(=O)NCCCNc1c2c(nc3ccccc13)CCCC2 146132650 HSZDEPLXGLXHIX-JJIBRWJFSA-N 351.410 2.386 30 1 FEEF Nc1cnc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587881544 PIRUHKCXEDUKRJ-UHFFFAOYSA-N 350.205 2.387 30 1 FEEF Cn1cnc([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587890060 MZKUGQJYVFCQBW-UHFFFAOYSA-N 367.192 2.346 30 1 FEEF Cc1c(O)ccc2c1[C@@]1(C=CC(=O)C=C1C(F)(F)F)N[C@H](C(=O)O)C2 963524176 JESDPWWZSOCYJP-ZBEGNZNMSA-N 353.296 2.122 30 1 FEEF CC#CCOc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NO)cc1 13440718 XNSXZLYFBPIUKQ-UHFFFAOYSA-N 374.418 2.033 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CC)OC)C[C@]1(C)[C@@H](O)CC=C(C)[C@@H]21 2356605099 TTYINVYQSOYIRU-SPABQMGBSA-N 362.422 2.283 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC2=C(C)C(=O)[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@H]2[C@]1(C)O 2356784820 QGKBLGPMOCXJCL-KAUAUACQSA-N 362.422 2.102 30 1 FEEF CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 95897965 NAAUMJMVSZXHSJ-PWRODBHTSA-N 366.461 2.444 30 1 FEEF CN1CCC(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)s2)CC1 169708977 SMLAWJQGHOCCLG-RCJHGTSTSA-N 372.538 2.249 30 1 FEEF O=C(/C=C/c1ccc(OCOP(=O)(O)O)cc1)c1ccc(O)cc1O 1857653497 CYOBNKVIMXMCTB-FPYGCLRLSA-N 366.262 2.440 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]21 2356663012 POQGONFMEJCHNG-YNQUTNGASA-N 362.422 2.461 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356670564 SSPLNYVJVYXFMB-YOUGUVMASA-N 364.438 2.301 30 1 FEEF N#C[C@H]1CCC2(C[C@H]1n1cc(C(N)=O)c(Nc3ccccc3)n1)OCCO2 218555122 GOYVGGAPXFQVDR-CZUORRHYSA-N 367.409 2.333 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(/C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 36374458 CQZUJMJORLOTCJ-SBCWXLEISA-N 362.422 2.222 30 1 FEEF C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(O)[C@H]12 141215512 FRGAPYHVPJHJFF-BJBBNPAJSA-N 360.406 2.022 30 1 FEEF C=C[C@H]1[C@@H]2C(C)=C[C@@H]([C@H]3C(=O)N(C)C(=O)[C@@H]32)N1Cc1ccc(OC)cc1 95784894 UAYXBCPBZQTGNQ-LTFXXXRZSA-N 352.434 2.241 30 1 FEEF C=C1NN(C)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587767389 IVRDPOKOSGJZQJ-GLEZIHRCSA-N 354.223 2.198 30 1 FEEF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nnnn2c1 587891166 QVBGUEKGQCETFC-UHFFFAOYSA-N 374.231 2.450 30 1 FEEF COc1ccc(S(=O)(=O)N(CCC2CCCCC2)CC(=O)NO)cc1 13764078 SFKKAERKHIUEOG-UHFFFAOYSA-N 370.471 2.162 30 1 FEEF C#CCN=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1 1857771157 NAAKTSUJFNNEGV-SNVBAGLBSA-N 362.359 2.052 30 1 FEEF CC(=O)OC/C=C/C#CC#C/C=C\C=C/[C@@H](CCOC(C)=O)OC(C)=O 238763857 FHMJPDDYIZJLRC-LPWRPFISSA-N 358.390 2.110 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/C(=O)/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 103754115 VUURQISRHJCAJY-DDPZBMKRSA-N 360.406 2.189 30 1 FEEF C=CCNC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)O[C@@H]3CC[C@H]2[C@@]1(C)CO 2356767428 BBVFGRRFXXASRT-SMTUBYSVSA-N 351.443 2.408 30 1 FEEF N#C[C@H]1c2ccccc2-n2nncc2CN1S(=O)(=O)c1ccccc1 61942518 JUNGXOHDASSOSB-KRWDZBQOSA-N 351.391 2.036 30 3 FEEF COC1=C(OC)[C@]23CCc4cc(O)c(OC)cc4[C@]2(CCN3C)CC1=O 14688935 HTOHHJTUVLJPIE-VQTJNVASSA-N 359.422 2.136 30 1 FEEF biogenic CS(=O)(=O)NC1CCN([C@@H](c2ccc(C#N)cc2)c2cccnc2)CC1 72184675 UKPHUEPNEOQMFK-IBGZPJMESA-N 370.478 2.056 30 1 FEEF O=C(NO)c1ccc(CN2c3ccccc3[C@H]3[C@@H]2CCS3(=O)=O)cc1 1857547050 XYQDILWULREMBI-IRXDYDNUSA-N 358.419 2.054 30 1 FEEF COc1ccccc1/C=C/C=N/N1C(SC)=N[C@@H]2[C@H]1N(C)C(=O)N2C 1857753489 QZUFVNRQIYLRKS-GOGPHXLISA-N 359.455 2.378 30 1 FEEF C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3C=C[C@@]12O3 103108713 NAMJXTOLLRLBNM-SAGLZJIZSA-N 355.390 2.401 30 1 FEEF NC(=S)N/N=C(/C[C@H](C(=O)O)[C@@H]1C=N[C@@H]2C=CC=C[C@@H]21)c1ccccc1 22018019 VECNYLITNUMMOH-YKXCGDGISA-N 368.462 2.126 30 1 FEEF CC(C)[C@H]1C[C@@]23CCCN2C(=O)[C@@]1(C=C1Nc2ccccc2C1=O)NC3=O 2356489500 ZYQGZNMJYUPXGP-IFZYUDKTSA-N 365.433 2.084 30 1 FEEF N#Cc1ccc(CN2C(=O)CNC(=O)[C@@H]2Cc2c[nH]c3ccccc23)cc1 71294975 ARUKXPDROSPZJO-IBGZPJMESA-N 358.401 2.109 30 1 FEEF CO/N=C(\c1ccc(Cl)cc1)[C@H](O)CN1CCN(c2ccccn2)CC1 36216698 QIVGZELWYADNGV-QGSQVHNNSA-N 374.872 2.269 30 1 FEEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 8299012 VNCQCPQAMDQEBY-WZYNRUKZSA-N 362.422 2.255 30 1 FEEF in-man COC(=O)[C@@]1(Cc2cccc(OCc3ccccc3)c2)C[C@H]1C(=O)NO 29134864 YSOHBNNUZLJFTL-PXNSSMCTSA-N 355.390 2.493 30 1 FEEF C=CC[C@]12C[C@H](O)C(=O)[C@H]([C@@H]1O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C 2356462328 NRISBUYAZVOBNT-HSRICANISA-N 360.406 2.031 30 1 FEEF C=C[C@]12C[C@H](OC(=O)C(C)=CC)[C@@H]3C(=C)C(=O)O[C@@H]3[C@@H]1C(=C)COC2=O 2356506000 WSJQJFJGCHEPNW-YPTDYUDTSA-N 358.390 2.268 30 1 FEEF N#Cc1cccc(CN[C@@H]2CO[C@@H]3[C@@H](OCc4ccccc4)CO[C@@H]32)c1 2356847544 OXMBUOXXJAXFDJ-PLACYPQZSA-N 350.418 2.399 30 1 FEEF CCCCCCCCC1=CC2=CN(COC(CO)CO)C(=O)N[C@@H]2O1 44093669 OHRIHNSATYJMMB-QGZVFWFLSA-N 354.447 2.214 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 587918502 URUQTFDABZYMSF-UHFFFAOYSA-N 366.782 2.304 30 1 FEEF CC(/C=N\NC(=S)N1CCCCC1)=N/NC(=S)N1CCCCC1 5850246 UNSNRXLRFNYEKO-MCOFMCJXSA-N 354.549 2.069 30 1 FEEF Cc1cc(CN2C[C@H](N)[C@H](C(=O)[C@H]3CCC[C@H]3C#N)C2)cc(C)c1C#N 28955153 XFLMPAVFJGLLHK-XEYPJELSSA-N 350.466 2.443 30 1 FEEF CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(/C(C)=N\O)c3)c(F)c2)C(=O)O1 28099308 DLKBSAVJNXOLJZ-SYZMQFJCSA-N 374.372 2.276 30 1 FEEF CC(C)CNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@H]1F 28868150 QYWYVEGYSVLIEY-HOTGVXAUSA-N 352.381 2.118 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1n[nH]cc1[N+](=O)[O-] 587890593 NRWPDMGUJOVTPC-UHFFFAOYSA-N 353.165 2.335 30 1 FEEF O=C(OC[C@H](O)CS)c1csc([C@H]2COc3ccccc3O2)n1 13586940 WWBMVHKTRROALT-TVQRCGJNSA-N 353.421 2.103 30 1 FEEF COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)NC1=O 201247690 CCULSGKAHLHGMO-JHJOLFGTSA-N 363.461 2.219 30 1 FEEF C=C1C[C@H](O)[C@@H]2O[C@]2(C)CC[C@@H]2C(=CC=CC(C)(C)O)CO[C@H](O)[C@H]12 2356401417 DHRXCNMOCBONRV-NJHADGRTSA-N 350.455 2.079 30 1 FEEF C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCC)[C@@H]1C5 100707066 GFVVFDWQEIJFDF-LRGNLBRXSA-N 355.434 2.346 30 1 FEEF C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 29134023 AFRTUXMOKYWHEU-ASGQFNQVSA-N 362.422 2.055 30 1 FEEF CC(C)(C)[C@H](NC(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N)c1ccccc1 28472565 MDZKYXKTFWHKLJ-XYJFISCASA-N 356.470 2.122 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@](O)(C(=O)C=CC)[C@@H]2OC(=O)C(C)=CC 2356499169 WZMSNQSBWAAHTM-IBEFBCMPSA-N 362.422 2.268 30 1 FEEF C=C(C)[C@@H]1CC[C@]2(O)C(=O)O[C@H]3C[C@@](C)(CC(=O)C=C(C)C(=O)C1)O[C@H]32 2356538468 FPMOPBCTUVNARK-JHPSMNPCSA-N 362.422 2.041 30 1 FEEF N#C[C@H](c1ccnc(NCCn2cncn2)n1)c1nc2ccccc2s1 135738420 AXEBCVIPELYPGM-GFCCVEGCSA-N 362.422 2.445 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CCC(=O)[C@](C)(O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 238780293 RVCMUXPMWKHFFZ-LGZZFOGGSA-N 364.438 2.492 30 1 FEEF N[C@@H](CCCC/N=C/[C@@H]1C(=O)Nc2ccc(Br)cc21)C(=O)O 169721068 RAOMPTWVLNROTF-MZPKWHQFSA-N 368.231 2.138 30 1 FEEF C[C@]12CC/C(=N\N=C(N)N)C=C1CC[C@@H]2CN1C(=O)c2ccccc2C1=O 28767697 NHANKAOOZAKQRJ-LRDFWHPZSA-N 365.437 2.049 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238742246 DZTWAOVNNLDWNH-UVGVLZFGSA-N 362.422 2.221 30 1 FEEF COC[C@H](C)Nc1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 142359483 WKVLWMBDDGEHPY-CVEARBPZSA-N 366.465 2.390 30 1 FEEF C=C1CO[C@@H]2/C=C(/C)CC[C@H](O)[C@](C)(O)C/C=C\[C@@](C)(O)CC[C@]12O 238785970 QWQCCBLIKLMUJQ-ONPJROMOSA-N 352.471 2.002 30 1 FEEF O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@@H](C(=O)O)[C@H]3O 49045391 SRAOLIZIJYDHTE-PKOBYXMFSA-N 364.309 2.493 30 1 FEEF biogenic 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FEEF COc1cc(NC(=O)NCc2ccc(/C=C/C(=O)NO)cc2)ccc1C#N 58581677 NDNABIJPIYGDIQ-RMKNXTFCSA-N 366.377 2.407 30 1 FEEF C[C@@H]1[C@H]2C[C@H]3N1C[C@H]1CCC(=O)C4=C(C(=C2O)C2=C4CCOC2=O)[C@]13C 2356502095 XMNQTPJJGRHTJM-QMZRACECSA-N 353.418 2.444 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(O)C(=C(C(C)C)C(=O)[C@@H]1C)C[C@H](O)[C@@H]2C 2356661493 CZLKIWRMFVENLG-KDUKMOISSA-N 364.482 2.004 30 1 FEEF C=C(C)[C@H]1C[C@H]2O[C@@]1(O)C(=O)[C@H](C)CC(=O)C=C(C)C[C@H]1C=C2C(=O)O1 2356690804 LJQPUSXPSUZLOQ-CSENRNQMSA-N 360.406 2.022 30 1 FEEF CC1=CC2=C(C[C@@H](C)C3=CC(=O)C[C@@H](C)O3)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 1772598752 AADHJCJGLIXFMQ-DLNGAVEJSA-N 360.406 2.084 30 1 FEEF N#Cc1n[nH]c2c1CN([C@H]1CS[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 205836261 KQKASRAGSVKXIR-SEHCQNQUSA-N 361.421 2.449 30 1 FEEF CC=C(C)C(=O)O[C@@H]1C[C@@H]2O[C@]23C[C@]2(O)OC(=O)C(C)=C2C[C@@]3(C)[C@@H]1C 2356611412 WATSLMNLAKJSBJ-KIINKYIXSA-N 362.422 2.404 30 1 FEEF Cc1cccc(S(=O)(=O)N2Cc3ccc(/C=C/C(=O)NO)cc3C2)c1 72177140 ORBYJLCGXLAUCU-SOFGYWHQSA-N 358.419 2.218 30 1 FEEF N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2O[C@@H]2CCNC2)cn1 43059096 XWBVWQBBHHJLKT-GFCCVEGCSA-N 358.789 2.386 30 1 FEEF in-vitro C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1 40423437 CRADFRMFRDPNRP-ZSEKCTLFSA-N 373.391 2.463 30 1 FEEF C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@H]12 238769520 AFRTUXMOKYWHEU-BEKHJFFYSA-N 362.422 2.055 30 1 FEEF C=CC[C@@]12CC(=O)[C@H](O)[C@@H]([C@@H](C)[C@@H]1c1cc(OC)c3c(c1)OCO3)[C@@H]2O 238763325 OCBRHHMDESBRER-KZIRKHOFSA-N 360.406 2.031 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)ccc1S(N)(=O)=O 587918323 NAYRAMMJKZOCDG-UHFFFAOYSA-N 365.794 2.094 30 1 FEEF N#Cc1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)c(Cl)c1 14947552 NEGWJHQAWQAHOF-YCPHGPKFSA-N 358.829 2.226 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)[C@H](O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356394949 JTQHAHIJRVLYPJ-UWLPGLTFSA-N 364.438 2.062 30 1 FEEF N#CCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 2492784 ALVXDPCUXMSMBQ-SJORKVTESA-N 367.405 2.109 30 1 FEEF COC(=O)[C@]1(c2cccc(OCc3cccc(OC)c3)c2)C[C@H]1C(=O)NO 29135382 MYZBBCQWECBDNK-PXNSSMCTSA-N 371.389 2.210 30 1 FEEF CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)o2)nc1 66104195 QGUHXLUJRJYSQT-UHFFFAOYSA-N 351.366 2.370 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CC)OC)C[C@]1(C)[C@H](O)CC=C(C)[C@@H]21 2356605098 TTYINVYQSOYIRU-PVZJGROWSA-N 362.422 2.283 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=CCC[C@@]1(C)O[C@@H]21 2356631770 NUBGOYZTSZAMIY-XFNMEUKGSA-N 362.422 2.221 30 1 FEEF NC(N)=N/N=C/c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Cl)cn12 13005170 YCSSRNBNPPIVPE-YAXRCOADSA-N 363.790 2.232 30 1 FEEF COC(=O)[C@H]1C(=O)C=C(Nc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C 1857650926 SCUQARHCBDOWQY-AUUYWEPGSA-N 357.454 2.132 30 1 FEEF COc1cc(/C(N)=N/O)ccc1-c1cc(-c2ccc(/C(N)=N/O)cc2)on1 103226128 XVPVIVKACCHKNE-UHFFFAOYSA-N 367.365 2.206 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@]2(O)[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356407802 LEDWNNAHTKTAEH-RCWVKNBDSA-N 360.406 2.022 30 1 FEEF COC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC)nc2C)c1=O 45303076 GATWWAXZRLFSLI-MRXNPFEDSA-N 369.425 2.477 30 1 FEEF C=C(C)[C@@H]1CC=C(CO[P@](=O)(O)OC[C@H](COC=O)OC=O)CC1 253806771 PFLAPFIGTURQDL-CABCVRRESA-N 362.315 2.137 30 1 FEEF CCOC(=O)C1=C(N)Oc2ccc(CC)cc2[C@@H]1[C@H](C#N)C(=O)OCC 29464661 NJPLTYJHRHWLJC-DZGCQCFKSA-N 358.394 2.161 30 1 FEEF NCCCNCCCCNCCC/N=C1/CCCc2cc(N)ccc2N1 64447791 XIBGUPYGSITOFI-UHFFFAOYSA-N 360.550 2.114 30 1 FEEF CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@H](C#N)C3)n2)cc1 142352548 XVGBLRCJWRIMHH-OXQOHEQNSA-N 373.460 2.293 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)CC[C@](C)(O)C[C@@H](OC(=O)[C@H](C)CC)[C@H]12 238738713 ZOEAECGCSDCUAW-XTBYADMCSA-N 366.454 2.284 30 1 FEEF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C#N)c(C#N)cc2[nH]1 586949837 CGFTYFUIQBWDMK-UHFFFAOYSA-N 351.391 2.269 30 1 FEEF C/N=C(/S)[C@@]1(c2cccnc2)CCCC/C1=C\C=N\OC[C@H](O)CO 13589998 AAVAAXWYZZHZJN-WVQVLLESSA-N 363.483 2.134 30 1 FEEF N[C@@H](CCCC/N=C/[C@H]1C(=O)Nc2ccc(Br)cc21)C(=O)O 169721069 RAOMPTWVLNROTF-RRSCJGKHSA-N 368.231 2.138 30 1 FEEF C=C(Cl)COc1cc(-n2nnc3c(cnn3C)c2=O)c(F)cc1Cl 103288648 TVEKYYDBCCGMMA-UHFFFAOYSA-N 370.171 2.438 30 1 FEEF C=C(C)[C@@]12CC#C[C@H](NC(=N)NC)C[C@]3(O)CC[C@@H]([C@H]3C1)[C@@](C)(O)CC2 2356773852 KEHUZRMFADSZNY-XCPHWNSOSA-N 359.514 2.151 30 1 FEEF CCOC(=O)N1CCC2(CC1)CC(=O)c1cc(/C=C/C(=O)NO)ccc1O2 73221439 DVCJTXLSSLMBJO-GQCTYLIASA-N 374.393 2.162 30 1 FEEF CCOC(=O)c1nn(-c2ncccc2Br)c(OCC)c1C#N 587876654 SMKZLADBUONBFD-UHFFFAOYSA-N 365.187 2.477 30 1 FEEF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(S)[C@@H](C2)N(CC2CC2)CC[C@@]314 100818939 LITLSYHRBYLFFK-OBNKQFAMSA-N 357.475 2.031 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C[C@H](O)C[C@@]1(C)O[C@@H]21 2356718603 AFTMSDSWKBUAFB-MWHICJNPSA-N 362.422 2.221 30 1 FEEF CCC#CC[C@@H](C)[C@@H](O)C#C[C@H]1[C@H]2C/C(=C\COCC(=O)O)C[C@@H]2C[C@H]1O 39624048 ARUGKOZUKWAXDS-FWGGUQMUSA-N 374.477 2.225 30 1 FEEF Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2cnnc12 587890616 ABOFJGBRDSRXKB-UHFFFAOYSA-N 374.231 2.329 30 1 FEEF C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O 14584811 ZJZYSAJQOPJREK-HKBGPESCSA-N 374.477 2.354 30 1 FEEF endogenous,in-man Cc1noc(-c2ccccc2/C=N/OCCN2CCC[C@H](C(=O)O)C2)n1 1857582468 INVRNDREEPVZKX-BKQORJHRSA-N 358.398 2.192 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356388807 SGOMJRGREDEDDZ-QRVDHSFSSA-N 364.438 2.063 30 1 FEEF C=CCN(C)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCc1ccco1 2356582129 WDMXFYMDFLPJPS-BBWFWOEESA-N 362.543 2.072 30 1 FEEF CC[C@H](C=C(C)C=CC(=O)C1=C(O)[C@@H](Cc2ccc(O)cc2)NC1=O)CO 2356614964 PSOFBXYYROFASO-RHSMWYFYSA-N 371.433 2.335 30 1 FEEF CC(C)C[C@@H](NC(=O)c1cccc(Br)c1)C(=O)NCC#N 82065032 UNLLPYIVKNDIER-CYBMUJFWSA-N 352.232 2.233 30 1 FEEF COC1=C(OC)C(=O)[C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4[C@]2(CCN3C)C1 238759991 WDSOILMKWXUDGC-HLLQZAQXSA-N 373.449 2.295 30 1 FEEF CC[C@]12CC(C(=O)OC)=C3N(C)c4ccccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]42 2356566194 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FEEF NC(=S)N/N=C\c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1 12729930 SGFRXCPDEMMQKB-WQRHYEAKSA-N 360.395 2.220 30 1 FEEF Cc1c(/C=N/NC(=S)N2CCCCC2)c(=O)n(-c2ccccc2)n1C 6520291 GGVFHMCXWXXSJH-CPNJWEJPSA-N 357.483 2.179 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)[C@@H]3OC3(C)C)[C@@H]12 2356766438 GZCIZALSNIRPJI-JJTUDDRGSA-N 362.422 2.221 30 1 FEEF N#CCNC(=O)[C@H](CCSc1ccncc1)NC(=O)c1ccccc1 82064843 SETATKRHEBNCHR-INIZCTEOSA-N 354.435 2.002 30 1 FEEF CN[C@@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 221849928 GBRUABPSUHZGDN-XFJVYGCCSA-N 356.405 2.317 30 1 FEEF NC(=O)c1coc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587890488 JGDGHUCPZMHYMF-UHFFFAOYSA-N 351.189 2.396 30 1 FEEF COC1=C[C@@]23CCN(C)[C@@H](CCc4cc5c(c(OC)c42)OCO5)C3=CC1=O 13310652 XDTUCJHUNSGRTR-LHSJRXKWSA-N 369.417 2.351 30 1 FEEF biogenic CC1=C(CCCC(=O)N2CCN(C)CC2)C(=O)c2c(O)cccc2C1=O 13861890 BSCGAIKELVASTO-UHFFFAOYSA-N 356.422 2.032 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)[C@H](C)CC)[C@]1(O)CCC(=O)[C@@]21C 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CCOC(=O)C1=C(N)Oc2ccc(CC)cc2[C@@H]1[C@@H](C#N)C(=O)OCC 29464664 NJPLTYJHRHWLJC-UKRRQHHQSA-N 358.394 2.161 30 1 FEEF CC[C@H](C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@]1(C)[C@H]32 257373954 ABLNQMKQYJQVRR-LVNQJWRUSA-N 362.422 2.260 30 1 FEEF C[C@](CCc1ccc(OCC2CCC2)cc1)(C(=O)NO)S(C)(=O)=O 169686499 ZZJKFWRALUGZKD-KRWDZBQOSA-N 355.456 2.107 30 1 FEEF O=C(O)CC(=O)OCCCCC=CC1=C(O)c2c(O)cccc2C(=O)C1=O 2356734294 CWZRKOWMWFFYSO-UHFFFAOYSA-N 374.345 2.171 30 1 FEEF CCN(CC)CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 82051390 ZMNQEVJGDBSMHK-OVDOOKCHSA-N 364.530 2.445 30 1 FEEF C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C[C@H](O)[C@@]3(C)CC[C@H]21 238774156 HREHXDGEPLBBKK-JNTPEWEUSA-N 362.422 2.246 30 1 FEEF COCC/N=C(\O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F 3020989 NWPNNHLJJAZHRU-UHFFFAOYSA-N 358.435 2.197 30 1 FEEF CC(C)=CCC(=O)[C@@]1(O)C(=O)C(C(=O)C(C)C)=C(O)[C@@]1(O)CC=C(C)C 1642676561 MPTLOHZFBSJIRH-VQTJNVASSA-N 364.438 2.350 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=O)C=C(C(C)C)[C@]1(O)C[C@@H](O)[C@@H]2C 2356323227 ANGFDUTVANEGPQ-HWICZINQSA-N 364.482 2.004 30 1 FEEF CC(=O)N1C(=O)[C@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 73315079 GGQUSGUQOYGNEW-JOCHJYFZSA-N 372.380 2.096 30 1 FEEF C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H]2C[C@@]3([C@@H](O)O2)[C@H](C(=O)CO)CC[C@H]13 257526351 QUQBHBRVKLEOEI-XVYMTDHWSA-N 360.450 2.003 30 1 FEEF COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](N)C4)cc3n2)cc1C#N 1857580177 QSLBBXJGBLZKIT-AWEZNQCLSA-N 363.421 2.428 30 1 FEEF C=C(C)[C@@H]1C[C@@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C 100772881 MFJWBSPRMQOETE-VYXKRKKGSA-N 360.450 2.298 30 1 FEEF endogenous,in-man CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@H](C)[C@@]23C[C@@H](C=O)C(C(=O)O)=C3C1 2356856690 SCTKLJXFJJPZCY-RDVHEEPHSA-N 359.470 2.259 30 1 FEEF COC(CN(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12)OC 82052207 CBRPEKGZJWTLTP-ILRNBGBRSA-N 367.486 2.064 30 1 FEEF N#CCNC(=O)[C@@H](Cc1cccc(-c2cn[nH]c2)c1)NC(=O)c1ccccc1 43120413 LHNTYJBNWWBALU-LJQANCHMSA-N 373.416 2.058 30 1 FEEF CCc1ncnc(N2CCC(OC)CC2)c1C#Cc1ccc(NC)nc1 149344116 SUCMIVQFKWZAME-UHFFFAOYSA-N 351.454 2.491 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO 95897906 PTDGAOVNNFEWBY-SQNIBIBYSA-N 360.410 2.105 30 1 FEEF CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@@H](C3=CC(=O)O[C@@H]3O)C[C@]12C 238745635 ISKSLPVHTHRLNJ-LIHUTXLRSA-N 360.406 2.061 30 1 FEEF C=CC[C@@]12C=C(O)C(=O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O 238735716 TXEDTYYHGZODBU-TVRTWXIFSA-N 358.390 2.482 30 1 FEEF biogenic,in-vitro C#C[C@H]1CN(S(=O)(=O)C=C)CCN1Cc1ccc(OC(F)(F)F)cc1 618020186 CMUDARPTNUHFQR-AWEZNQCLSA-N 374.384 2.178 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc(OCC(=O)O)c(C(N)=O)c1 587901967 CARHRCYWWLSICX-UHFFFAOYSA-N 359.765 2.311 30 1 FEEF O=CC(C=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1[N+](=O)[O-] 587262760 ZYYSVTRRLWGMMT-UHFFFAOYSA-N 367.317 2.391 30 1 FEEF C[C@@H]1C(=O)C2=C([C@@H]3OCO[C@@H]3C=C2)[C@@](O)(c2ccc3c(c2)OCO3)[C@H]1C 2356426362 VOGHWSDTSPLGNL-REDUDCFJSA-N 356.374 2.066 30 1 FEEF CC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@]2(CO2)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@@]12C 2356612072 SZSNPNCTSHASFJ-GXZAIAQCSA-N 362.422 2.008 30 1 FEEF O=C1C=C[C@]2(O[C@@H]3c4c2ccc(O)c4C(=O)C[C@H]3O)c2cccc(O)c21 2356618682 CUCGWOIZXKTFMJ-XPGWFJOJSA-N 350.326 2.113 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C(C)=CC)[C@@H](O)[C@@]12O 2356653364 CTVNMICJHWLINA-AXVVYFOYSA-N 362.422 2.124 30 1 FEEF C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 238744670 XHTGFCMYAVKICC-RTXCQKNXSA-N 362.422 2.111 30 1 FEEF CC[C@@](C)(O)c1cn([C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 299833590 QMZXITWRJDGUIQ-UYAOXDASSA-N 367.405 2.422 30 1 FEEF N#Cc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1C(F)(F)F 586929752 ISDOPLQPXXTBLV-UHFFFAOYSA-N 355.301 2.096 30 1 FEEF CC(C=CC(=O)C1=C(O)[C@H](Cc2ccc(O)cc2)NC1=O)=C[C@H](C)[C@@H](C)O 2356645703 BCLPTDXMLFNOLV-VBQJREDUSA-N 371.433 2.334 30 1 FEEF CC1=CC(=O)C[C@](C)(O)[C@H]2[C@H](C(=O)[C@H](C(C)C)CC1)[C@@](C)(O)C[C@H]2O 2356759702 NVOWAVFZSKWQPR-ADXOPFBHSA-N 352.471 2.026 30 1 FEEF C[C@H]1O[C@@H](n2cnc3ncnc(NC(=O)c4ccccc4)c32)C=C(F)C1=O 49112558 LUPVXDKQEOFRAR-ZWNOBZJWSA-N 367.340 2.418 30 1 FEEF COCC(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95898003 QCLTUJIBAMFGJE-BJLQDIEVSA-N 354.381 2.318 30 1 FEEF Cc1ccc(-c2ccccc2[C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2C#N)cc1 95869311 ZWDUJUWQWMDIHH-IPMKNSEASA-N 356.447 2.274 30 1 FEEF Nc1ncnc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c[nH]c12 587888824 OEFAKKMZGHNLHE-UHFFFAOYSA-N 374.231 2.557 30 1 FEEF Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@H]5C=CC=C[C@@H]5N4)c3N)cc2[nH]1 205252138 TVFMZRKDNNYDFP-DOMZBBRYSA-N 358.405 2.420 30 1 FEEF CCCCn1c(O)c(C(=O)/C=C/c2c[nH]c3ccccc23)c(=O)[nH]c1=O 100512980 XWCLMEUPMRTFSG-CMDGGOBGSA-N 353.378 2.420 30 1 FEEF CO/N=C\c1ccn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 28087111 MFPPNLKSOIKQDE-YBAOBPEKSA-N 374.372 2.058 30 1 FEEF CCCCCCC[C@H](O)C[C@H](O)C[C@H](O)C[C@H]1C[C@H]2C[C@@H](CC(=O)O2)O1 2356632896 JUGNVZAVZDAHMJ-DYKIIFRCSA-N 372.502 2.463 30 1 FEEF CC(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)=C1C(=O)C[C@H]2[C@@H]1C2(C)C 2356848202 WXEVZMZTHQDYCI-IHETXDGRSA-N 360.410 2.098 30 1 FEEF COCC(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CCC3CCCC3)cc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c1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587203810 UNYYRFKDUVXSSI-INIZCTEOSA-N 364.361 2.357 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cncc(C(=O)NCCC(=O)O)c1 587908175 NBRAVJLOHJGQQE-UHFFFAOYSA-N 358.781 2.348 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3 5132484 ZYOJIZKOPNSJGE-QDHYIOMWSA-N 350.411 2.260 30 1 FEEF biogenic C=[N+]([O-])c1cccc([C@H](COC)Nc2ncnc3c(C(N)=O)cccc23)c1 166960165 AEUVEBFUSMASLJ-INIZCTEOSA-N 365.393 2.371 30 1 FEEF Cc1cc(-c2nc(N)[nH]c(=O)c2Cl)cc(C#N)c1OC[C@H]1CCOC1 103253374 ZDJBPXJWRNMOPO-JTQLQIEISA-N 360.801 2.268 30 1 FEEF CC(C)(C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](C(N)=O)(C3)C2)c1ccc(C#N)cn1 100075749 ZTAWWPCARCIRRE-AQTSXNFZSA-N 366.465 2.027 30 1 FEEF C[C@H](CS)C(=O)N[C@@H](CSCc1cccc(N(C)C)c1)C(=O)O 40847142 FDUHSPNNKBMCGB-RISCZKNCSA-N 356.513 2.121 30 1 FEEF O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1ccccc1[N+](=O)[O-] 96934345 FWNSNTKOAGZVCS-MUMAZLPKSA-N 363.373 2.391 30 1 FEEF COC1(C#C[C@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1 7992106 BQIZFVANVXCUDO-KZNAEPCWSA-N 350.411 2.158 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)C=C[C@](C)(O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356669333 XUPGTXZVXSSFBQ-XDMUNQMFSA-N 362.422 2.268 30 1 FEEF COc1cc(O)c2c(c1)[C@H]1O[C@@H]1CC[C@H](O)[C@@H](O)CCC[C@H](C)OC2=O 238787994 IFTUAAVSCWBNKT-PCGIJWHGSA-N 366.410 2.072 30 1 FEEF COC1=C(O)C2=C3O[C@H](C)C(C)(C)[C@]3(O)C(=O)c3c(C)cc(O)c(c32)C1=O 653851952 HMMFFOZWOALJDZ-SQFXPLBJSA-N 372.373 2.396 30 1 FEEF biogenic C#CCNC(=O)C1=C[C@@H](c2ccc(C#C)cc2)[C@H](CCCO)[C@@H](OCC)O1 13656477 QMERVGNDZNDKFJ-IPJJNNNSSA-N 367.445 2.166 30 3 FEEF O=C(CN(Cc1c(F)ccc(O)c1F)Cc1c(F)ccc(O)c1F)NO 1857642453 DWRFNAFVCDRFKV-UHFFFAOYSA-N 374.290 2.162 30 1 FEEF CCN1C(=O)N(CC)[C@H]2[C@@H]1NC(=S)N2/N=C/C=C/c1ccc(OC)cc1 1857645692 OQMCIAARXMEIQT-YDAHLPQZSA-N 373.482 2.314 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=O)C=C(C(C)C)[C@]1(O)C[C@H](O)[C@@H]2C 2356323229 ANGFDUTVANEGPQ-SEFKKMAHSA-N 364.482 2.004 30 1 FEEF CCOC(=O)C1=C(c2csc(C)n2)/C(=C2\C(=O)C=C(C)C=C2O)NN1 104019336 SYAANWSMHLZTPD-CCEZHUSRSA-N 359.407 2.059 30 3 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@H]1O[C@]1(C)CCC[C@@H](C)[C@H]2O 85678055 ZMXFZZOCUKHAFO-BMRJCXQSSA-N 364.438 2.301 30 1 FEEF in-man C/C(=N\NC(=S)N1CCN(c2ccccn2)CC1)c1cccc(C)n1 6491318 JIBKQOYQTHHUSH-RCCKNPSSSA-N 354.483 2.206 30 1 FEEF C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100776687 ABTNJGAZZKYLLD-NZRFLNHFSA-N 362.422 2.111 30 1 FEEF endogenous,in-man C=C(C)[C@@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C 257481789 MFJWBSPRMQOETE-FJVCSZRQSA-N 360.450 2.298 30 1 FEEF endogenous,in-man CC/N=C(/NS(=O)(=O)c1ccc(OC)cc1)N1CC2(C=N1)CCCC2 653729193 AKSCLMQRDRHQNG-UHFFFAOYSA-N 364.471 2.211 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1n[nH]c2nccnc12 587890388 DRTFZSQUCSWYTQ-UHFFFAOYSA-N 360.204 2.370 30 1 FEEF CC=C(C)C(=O)O[C@@H]1C[C@H](C=O)[C@@H]2C(=O)C=C(C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]21 2356417222 VLYGZNZMBINDJK-QQLPRYBDSA-N 360.406 2.022 30 1 FEEF NS(=O)(=O)c1ccc(CC/N=C2\C=C(O)OC23CCCCC3)cc1 103529544 CRXXDIKFFPBWNA-XDJHFCHBSA-N 350.440 2.450 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)[C@H]1O[C@]1(C)CCC[C@@H](C)[C@H]2O 85678061 ZMXFZZOCUKHAFO-SSMXMUQQSA-N 364.438 2.301 30 1 FEEF in-man N#CCOc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 1857613790 WWQYFWNNAFDIPN-UHFFFAOYSA-N 358.361 2.032 30 1 FEEF C=C[C@]12C[C@H](OC(=O)C(C)=CC)[C@@H]3C(=C)C(=O)O[C@@H]3[C@H]1C(=C)CO[C@H]2O 2356447618 YCUMYYHWRRPIJB-CVIRXWHJSA-N 360.406 2.059 30 1 FEEF CC(C)=CC[C@H](O)C(C)=CC[C@H](O)[C@]1(CO)O[C@@H]1CCC(C)=CCO 2356464684 AQSPUIOEGRVAJI-HAGHYFMRSA-N 354.487 2.250 30 1 FEEF C=C[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1C(=COC)C(=O)O 2356613827 ZGSZUQKKUBVUPV-VOJYLLLMSA-N 368.433 2.388 30 1 FEEF C=C[C@]1(C)C(=O)C=C([C@](C)(O)COC(C)=O)C[C@@H]1C(=C)COC(C)=O 14781693 FRTWIOLVDNAYBY-NZSAHSFTSA-N 350.411 2.128 30 1 FEEF biogenic C=C(CN)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1 218980372 KKVKSKLTNCSVMG-UHFFFAOYSA-N 365.393 2.255 30 1 FEEF N#Cc1cccnc1N1CC[C@]2(c3ccc(F)cc3F)N=C(N)O[C@@H]2C1 95920686 RDCJBIHDYIOWEV-CRAIPNDOSA-N 355.348 2.051 30 1 FEEF in-vitro CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)[C@H](C)S 13732001 CRNLQLRVDDAGHI-JQFCIGGWSA-N 366.527 2.449 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](CO)CCC=C(CO)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356596048 CJWRQPZAYLIOEX-XDNAFOTISA-N 364.438 2.063 30 1 FEEF C=C(C)[C@@H](O)CCC(C)=C[C@H](O)CC(=CCOC(C)=O)COC(C)=O 2356607634 XYDCQTVQGVBJLE-OALUTQOASA-N 354.443 2.454 30 1 FEEF COC[C@H]1C[C@H]2CSC(N)=N[C@]2(c2cc(C#N)c(F)cc2F)CO1 217566056 COXXCFPTOCRKAL-LYOVBCGYSA-N 353.394 2.145 30 1 FEEF C=C(C(=O)/C=C/C(C)(C)O)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C 36374532 QWMIRWLFZLOCGH-CNBGQKOQSA-N 364.438 2.143 30 1 FEEF CC(C)c1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 95543269 JPHSILBVVGFZAR-UHFFFAOYSA-N 358.423 2.226 30 1 FEEF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(C#CCO)cc2)N1 963224138 IDHICHOWBWGGCH-RTWAWAEBSA-N 358.397 2.267 30 1 FEEF O=C(/C=C/c1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cc1)NO 13528168 OGAKAZXENWFQRT-BBVFFXRHSA-N 365.433 2.380 30 1 FEEF CC(C)(C)N1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O 28120314 NYNUGSDRGOYXKP-GOSISDBHSA-N 356.403 2.156 30 1 FEEF COCC#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)Cc3ccccc3)[C@@H]2CO)cc1 95898232 ZCPNEUJBLOUKDH-MQSCRBSSSA-N 374.440 2.106 30 1 FEEF CC1(C)N(O)c2ccc(COc3ccccc3/C=N\NC(=N)N)cc2[N+]1=O 377464046 JMYAQQVCZKIUIE-FBHDLOMBSA-N 369.405 2.438 30 1 FEEF Cc1ccc2c(c1)[C@]1(NCCc3cc(C)c(F)cc31)[C@@H]([N+](=O)[O-])C(=O)O2 962370918 FNKKARAMFUQULV-HKUYNNGSSA-N 356.353 2.396 30 1 FEEF O=C1C=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]1N2Cc1ccccc1 17138768 WKEXHQLBCFZJRL-FRYIKTPZSA-N 358.397 2.184 30 1 FEEF COc1ncc(C#Cc2ccc(C[C@@H](C)NC(=O)C3CC3)cc2)c(OC)n1 169706154 JXWUAMASMBWBOX-CQSZACIVSA-N 365.433 2.351 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)[C@H]3OC3(C)C)[C@H]12 2356766437 GZCIZALSNIRPJI-BPKGMFCQSA-N 362.422 2.221 30 1 FEEF COCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(C#N)cc2)n1 82158720 RHXOHEORQVWPMU-UHFFFAOYSA-N 351.410 2.310 30 1 FEEF COc1cc(C#Cc2cc(Cl)ccc2OC)cc(S(N)(=O)=O)c1 587918346 NQRHTGJEWHMEID-UHFFFAOYSA-N 351.811 2.404 30 1 FEEF Nc1c(C=O)ccnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587888933 DRGHPUNJZFQIDP-UHFFFAOYSA-N 362.216 2.494 30 1 FEEF CCN(CC)CC/N=C\c1c(O)nc(=O)n(CCC2=CCCCC2)c1O 1779674949 AIOOWQCXLKHSMO-ZHZULCJRSA-N 362.474 2.306 30 1 FEEF C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)C[C@@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100784196 DBFXNHHIIKEXPP-XPMCPDPBSA-N 364.438 2.046 30 1 FEEF endogenous,in-man C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@H](OC(=O)CC(C)C)[C@H]12 2356509013 YMHYVSXJGCGNDL-SCTDSRPQSA-N 364.438 2.063 30 1 FEEF C[C@@H]1CCC[C@H]2O[C@H]2COc2ccc(cc2)C[C@H]2NC(=O)C(=C1O)C2=O 2356570547 MMJLIEREEJXFMU-MPESAESLSA-N 357.406 2.075 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=CC[C@H](O)[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 2356601213 OALKRCUXSIESFZ-LUWLXCNUSA-N 364.438 2.301 30 1 FEEF C=CC[C@@]12C[C@H](OC)C(=O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O 2356689809 ZNGCYIWYDPGZIU-SDCDXPABSA-N 374.433 2.445 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H]1CO 95897910 PTDGAOVNNFEWBY-KZNAEPCWSA-N 360.410 2.105 30 1 FEEF COc1ccc(-c2nc3cc(/C=C/C(=O)NO)ccc3n2CCO)cc1 140573282 OGPNRIPZGRWELK-YCRREMRBSA-N 353.378 2.223 30 1 FEEF Cc1c(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)sc2c1C(=O)N1CCC=C1N2 587029733 SZQMTTKOLANLNC-UHFFFAOYSA-N 374.389 2.198 30 1 FEEF CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@@H](C(=O)O)[C@]12NCCc1ccc(O)cc12 963343374 UWGPEQPPEYAPPA-OHAVUCPXSA-N 369.417 2.272 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC(=O)[C@](C)(O)C[C@H](OC(=O)CC(C)C)[C@@H]12 2356378654 RVCMUXPMWKHFFZ-HCCHORAYSA-N 364.438 2.492 30 1 FEEF CC(C)C1=C[C@@H]2O[C@]2(C)CCC=C(CO)C(=O)CC[C@H](C)[C@@H](O)C1=O 2356580263 REPYAYNHFYOZHS-RDOJZNBBSA-N 350.455 2.354 30 1 FEEF CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OC[C@@H](O)CO 2356818240 DRWVUMGCXXXHDJ-HNNXBMFYSA-N 368.426 2.080 30 1 FEEF C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]34C[C@H](O[C@H]4O)[C@H]12 255261664 QUQBHBRVKLEOEI-ADXAWUAYSA-N 360.450 2.003 30 1 FEEF CN(C)c1ccc(-c2nc(NCCCn3ccnc3)nc(O)c2C#N)cc1 27726237 XZQCCWQJIPIWQF-UHFFFAOYSA-N 363.425 2.486 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)/C=C\C(=O)[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238748329 ONPQMJRPONUMCY-VAXXNAQXSA-N 362.422 2.268 30 1 FEEF COc1cccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 586928577 DLGRBTRQEWOKRE-UHFFFAOYSA-N 356.407 2.264 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(COC(=O)[C@H](C)CC)CCC=C(CO)C[C@@H](O)[C@H]12 2356417647 HUNFBQHAFCSAPW-BTPDRXCOSA-N 364.438 2.063 30 1 FEEF C=C(CCC(=O)OC)[C@@H]1CC[C@](C)(O)[C@H]1COC(=O)CCC(=O)OCC 2356523142 ITMUYAPLCIMATN-DOXZYTNZSA-N 370.442 2.160 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@@]1(O)CCC(=O)[C@]21COC(=O)CC(C)C 2356680085 SUDKBMHWMTVRSC-VJYIFWQRSA-N 364.438 2.184 30 1 FEEF COC(=O)C(=CC[C@@H]1[C@@H]2CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]12CO2)[C@H]1CO1 2356769458 FWDXDDIWQOTXCD-ZPLNJUFRSA-N 350.455 2.467 30 1 FEEF C=C1CC[C@H]2CCC(=O)[C@@](O)([C@@H](O)C(=O)CC(C)=C[C@@H](O)C1)C2(C)C 2356835332 KQXYPHVCFXDYCH-BPQOCRPUSA-N 350.455 2.090 30 1 FEEF C[C@@H]1CC(=O)[C@@]2(CO)[C@H](CCC[C@]23CO3)[C@@]12C[C@@H](c1ccoc1)OC2=O 238749505 KRDZPLIXVXKNST-JPEKPBGJSA-N 360.406 2.411 30 1 FEEF N#Cc1c(-c2ccccc2)nc(SC[C@H]2CO2)nc1N1CCOCC1 96910357 RJNDVEKZNZXAAU-CQSZACIVSA-N 354.435 2.343 30 1 FEEF COC(=O)CCn1cc(C#Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])n1 587909109 JSWOFOPFUGVPPN-UHFFFAOYSA-N 363.757 2.416 30 1 FEEF CN1CCC(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)cc2)CC1 149984212 LZCFHMQOCHYBGF-WOZUAGRISA-N 366.509 2.187 30 1 FEEF O=C(CCC1=CCN(CCc2cccc(Br)c2)C1=O)NO 95575160 ZFFWVCKUZQRAKN-UHFFFAOYSA-N 353.216 2.046 30 1 FEEF CCOc1cc(O)cc(OCC)c1[C@@H]1CN[C@H](C(=O)N2CCC[C@H]2C#N)C1 28714259 RBDSWRWPARGIEC-DZKIICNBSA-N 373.453 2.150 30 1 FEEF CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]23CO3)C1(C)C 14658940 PJNBMVOSONBSAO-CLCAGADWSA-N 350.411 2.420 30 1 FEEF biogenic C[C@H](CS)C(=O)N[C@H](CSCc1ccc(N(C)C)cc1)C(=O)O 40847144 HLSVAMGQMKPXOP-BXUZGUMPSA-N 356.513 2.121 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C=C(C)C)C(C)=CCC[C@@]1(C)O[C@H]21 263638911 XYEXFSWBSVHZOV-QSEDAMICSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H]1O[C@@](C)(CCC[C@H]1C)[C@@H]2OC(=O)CC(C)C 2356294803 DTEQAWCMFIXGNE-CBPXVOGJSA-N 366.454 2.381 30 1 FEEF N#Cc1ccc(CNc2c(NCC(F)(F)C(F)(F)F)c(=O)c2=O)cc1 101183474 FYKLNSFQZHRISN-UHFFFAOYSA-N 359.254 2.376 30 1 FEEF C=C[C@@]1(C)C[C@]2(C=C(CO)[C@@H](O)O2)Oc2c1c(=O)oc1cccc(C)c21 34172582 PBJOCNBYKSMQMJ-YSIASYRMSA-N 356.374 2.291 30 1 FEEF NC(N)=NC(=O)c1nc(Cl)c(Nc2ccc3ccccc3c2)nc1N 40879766 WHKSXXWEBJVZHB-UHFFFAOYSA-N 355.789 2.023 30 1 FEEF CCN1C(=O)N(CC)[C@H]2[C@H]1NC(=S)N2/N=C/C=C/c1ccccc1OC 1857754613 MTYNXDRAJLIBDC-WSZWESTKSA-N 373.482 2.314 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3O[C@@](O)(C=C(C)C[C@@H](OC(=O)C(C)=CC)[C@H]12)C=C3C 2356287038 BWKCRURXVMIBRI-WDHIOAMHSA-N 360.406 2.346 30 1 FEEF C=CC[C@@]12CC(=O)[C@H](O)[C@@H]([C@H](C)[C@@H]1c1cc(OC)c3c(c1)OCO3)[C@H]2O 2356462354 OCBRHHMDESBRER-RNQIPLCPSA-N 360.406 2.031 30 1 FEEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(CO)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 2356309665 AXEUUXHMKSPQAI-FOEUPKGWSA-N 364.438 2.048 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)[C@@H]3OC3(C)C)[C@H]12 2356766436 GZCIZALSNIRPJI-ALYAQQCSSA-N 362.422 2.221 30 1 FEEF Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3cc(C#N)ccc3F)CO2)cn1 148302282 LQXAVXUZXAHPSZ-XCRHUMRWSA-N 371.441 2.465 30 1 FEEF CCN1C(SCC(=O)NCc2ccccc2)=NN/C1=C1/C=CC=CC1=O 104013239 AHWWWJGXSUBRDQ-OBGWFSINSA-N 368.462 2.139 30 3 FEEF C=CCn1c(=O)c2[nH]c(-c3ccc(Cl)cc3N)nc2n(CC=C)c1=O 26019089 LEYUNGYTDRALAW-UHFFFAOYSA-N 357.801 2.161 30 1 FEEF O=C(Nc1ccc(Br)cc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biogenic C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc2N1 587124027 KONHUEVASWEZTM-WKEGUHRASA-N 373.302 2.267 30 1 FEEF COC(=O)C1=C(Nc2ccccn2)O/C(=C\c2c[nH]c3ncccc23)C1=O 1772637811 AHTKZCGGZBVTQN-LCYFTJDESA-N 362.345 2.395 30 1 FEEF COc1ccccc1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1C[C@H](C)O 100446714 LGNLZFDKVCVHCH-AAQHYKORSA-N 367.401 2.498 30 3 FEEF CC=C(C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)C(C)=C[C@@H]3OC(=O)[C@]1(C)[C@H]32 2356524896 FNOWQNASVNSUCO-FYVMSYKNSA-N 360.406 2.180 30 1 FEEF CC(=O)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3ccccn3)cc2)C(=O)O1 28709390 NHXZNVZTCZJHBG-HKMNZKMDSA-N 365.389 2.439 30 1 FEEF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@H](C)[C@@]23C[C@@H](C=O)C(C(=O)O)=C3C1 2356358358 ONVFWWSLKLZNNB-RDVHEEPHSA-N 357.454 2.383 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C)c2)[C@H]1CO 95871944 LGGFASPISDVRGJ-SBHAEUEKSA-N 350.418 2.487 30 1 FEEF CSC1=N[C@H]2[C@H](N(C)C(=O)N2C)N1/N=C/C=C/c1ccccc1[N+](=O)[O-] 1857761558 MZBVODQTLZDIGS-VJWMLNJNSA-N 374.426 2.278 30 1 FEEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 8242292 VNCQCPQAMDQEBY-QEOLQJOTSA-N 362.422 2.255 30 1 FEEF in-man CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 100823391 IGDIDZAQDRAJRB-RWLNFDPSSA-N 350.411 2.154 30 1 FEEF endogenous,in-man CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C[C@H](O)[C@@]3(C)CC[C@H]21 2356416074 HREHXDGEPLBBKK-GMRPCHGWSA-N 362.422 2.246 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)CO)CC(C)=CCC[C@@]1(C)O[C@H]21 2356745709 RNNKSBPSDFMQAP-DRWJQLDWSA-N 362.422 2.222 30 1 FEEF Cc1ccc2c(c1)/C(=N/N=C1\SCC(=O)N1c1ccc(O)cc1)C(=O)N2 71329915 LLKKVBMKUPHBOE-UZYVYHOESA-N 366.402 2.493 30 1 FEEF N#C[C@@H]1CCCN1C(=O)[C@H]1CC=C[C@@H]2CN(OCc3ccccc3)C(=O)[C@H]21 653888084 WYYGLZBLYMJZRU-YDZRNGNQSA-N 365.433 2.283 30 1 FEEF N/C(=N\[N+](=O)[O-])N(Cc1ccc(Cl)nc1)/N=C/c1ccc(F)cc1 103172008 KVPKTWWQEQMLMI-UFWORHAWSA-N 350.741 2.217 30 1 FEEF CN(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1 118353430 NEQSCJOXQFZLMR-UHFFFAOYSA-N 371.441 2.430 30 1 FEEF C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c[nH]c1=O 218978299 HYYFBGUWKGIAQI-UHFFFAOYSA-N 367.365 2.005 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\CO)[C@@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238773080 JTQHAHIJRVLYPJ-WAHOCZANSA-N 364.438 2.062 30 1 FEEF biogenic CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N21 28462107 FOMUTDWPOSXQRQ-KKUMJFAQSA-N 368.393 2.087 30 1 FEEF N#CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(O)c([N+](=O)[O-])c1 82064628 YPICYFRVUBPQFN-AWEZNQCLSA-N 374.397 2.009 30 1 FEEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@@H](O1)[C@](C)(O)CCC2=O 238744077 MMFMKUFASHHEIN-PPOGKFSKSA-N 366.454 2.057 30 1 FEEF N#Cc1ccc(Cn2cncc2CN[C@H]2CCN(c3ccncc3)C2=O)cc1 13863862 KDDZVJQCAMDQTB-FQEVSTJZSA-N 372.432 2.093 30 1 FEEF COc1ccc(/C=C/C(=O)NO)cc1OCC(=O)Nc1ccccc1F 169337128 VQUGIBFGYYBZLL-VQHVLOKHSA-N 360.341 2.370 30 1 FEEF C=CC(C)(C)c1nc[nH]c1/C=C1\NC(=O)[C@@H](Cc2ccccc2)NC1=O 3925736 GWMHBVLPNWHWGW-DFSFMLJYSA-N 350.422 2.072 30 1 FEEF Cc1coc2c1[C@@H](O)[C@H]1[C@](C)(O)[C@H](OC(=O)[C@@]3(C)O[C@@H]3C)CC[C@]1(C)C2 238767485 QLVAZBROSYHPQG-UPCHTJQHSA-N 364.438 2.434 30 1 FEEF Nc1ncc(O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881575 RGVMMMKSBBWFLB-UHFFFAOYSA-N 350.205 2.387 30 1 FEEF Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)cc3F)ccc21 1772579268 IRRVQRURTPCURB-UHFFFAOYSA-N 357.366 2.350 30 1 FEEF CC(C)[C@@H]1C[C@@]2(C=C3Nc4ccccc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c1cn(CCC(CO)CO)c(=O)nc1O 653715976 DLUMXFJBYSPOKT-UHFFFAOYSA-N 350.459 2.042 30 1 FEEF COc1cc(C[C@H](C)NCC#N)c(OC)cc1I 26016430 AVLNTNJPZAAKTA-VIFPVBQESA-N 360.195 2.353 30 1 FEEF C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 85800193 GWJAUARFGPKLMT-UDNGYKLISA-N 364.438 2.046 30 1 FEEF in-man C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 257374058 ABTNJGAZZKYLLD-XHETVWOSSA-N 362.422 2.111 30 1 FEEF endogenous,in-man CO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1 653851541 IYINWVGHOYRCNP-KAPURRDVSA-N 374.418 2.186 30 1 FEEF NC(=S)N/N=C/c1cn(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1 1772571086 YPRWRJNCPIQSQP-KEBDBYFISA-N 365.418 2.405 30 1 FEEF CC(=O)Nc1ccc(NC(=O)[C@@H](N)CS)cc1C(=O)c1ccccc1 13863769 NTZOSJGKMMWKFD-HNNXBMFYSA-N 357.435 2.072 30 1 FEEF CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2C=C(C)CC=CC(C)(C)O)C1 2356444135 MHMOARXJSCYNTK-MDYRTPRTSA-N 362.422 2.413 30 1 FEEF CC1=CC(=O)[C@H]2[C@]3(CCC[C@@]2(C)C(=O)O)C(=O)O[C@H](c2ccoc2)C[C@@]13O 2356476069 ZRYAAYNBOQSVBG-MZCHELMPSA-N 374.389 2.405 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)[C@H](C)CC)C(C)=CCC[C@]1(C)O[C@@H]21 2356541138 OVQGHLVSAXKUJP-NVNCWXIISA-N 364.438 2.301 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C1C(=O)C[C@H](C)[C@]12O 2356629859 SKWQNPANRJEPQJ-ZTUKJPNBSA-N 360.406 2.022 30 1 FEEF COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C 40861956 VLAUFERERFJAAU-PQUVDFDKSA-N 374.433 2.429 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 523042404 OPVWRQVYITXONM-RPHCASEYSA-N 362.422 2.461 30 1 FEEF biogenic Cc1nn(C)cc1[C@]1(CC#N)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219038 CLNSFCCKONROQK-UYAOXDASSA-N 361.405 2.033 30 1 FEEF O=C(/C=C/c1ccc(CCNC(=O)c2c[nH]c3ncccc23)cc1)NO 1772635747 SHOQREDQWLKOGV-BQYQJAHWSA-N 350.378 2.054 30 1 FEEF O=C(CN(Cc1ccc(F)c(O)c1F)Cc1ccc(F)c(O)c1F)NO 1857754633 QXUDREYOXKXYRI-UHFFFAOYSA-N 374.290 2.162 30 1 FEEF CC/N=C(/NC#N)NCCCCn1nc(-c2ccccc2)cc(C)c1=O 27213764 PFAGFIDIINRBCG-UHFFFAOYSA-N 352.442 2.035 30 1 FEEF CC(=CCO[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O)C(=O)O 2356543866 URWKCOVDISSFRR-SMOSDQRPSA-N 366.454 2.240 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 2356594861 KCUQHLKAVMLGGV-NSEDFTPKSA-N 362.422 2.221 30 1 FEEF C=C(C(=O)O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)OC[C@]21C(=O)C[C@H]2OC[C@@H]1C2(C)C 195894274 WXRGFDVUIIHVOO-WHGSILSPSA-N 362.422 2.217 30 1 FEEF CCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(C#N)cc1 82154645 LKDGDSSPPPTNQU-UHFFFAOYSA-N 365.437 2.382 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@H]3C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 299844151 UEFXHAIMDIUNBV-CZRDTFMFSA-N 362.422 2.221 30 1 FEEF COc1ccc2[nH]c(=O)c([C@H]3NC(=S)NC4=C3C(=O)CCC4)cc2c1 103286876 QHGWXDJSEXVSBO-MRXNPFEDSA-N 355.419 2.063 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 2356461652 OPVWRQVYITXONM-MANUXINTSA-N 362.422 2.461 30 1 FEEF O=C1c2ccc(C#Cc3ccccc3)cc2C(=O)N1CCN1CCOCC1 66080143 YJDYWHHWVYFFJS-UHFFFAOYSA-N 360.413 2.015 30 1 FEEF C#C[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@@H]3[C@H](OC)C[C@]21C 2356680547 LQMBBJSVJDBNNB-SZIZHLDRSA-N 372.461 2.217 30 1 FEEF C[C@@H]1C[C@@H](O)[C@]23COC(=O)[C@@]1(C[C@H](O)c1ccoc1)[C@H]2CCC[C@]31CO1 238774702 VWTNGVAKKRKLJQ-NZMLQMEOSA-N 362.422 2.203 30 1 FEEF N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587266033 UJRZNJGTTBYQEH-QMMMGPOBSA-N 358.745 2.339 30 1 FEEF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc2N1 587124026 KONHUEVASWEZTM-QUBYGPBYSA-N 373.302 2.267 30 1 FEEF C=CCC(C)(C)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587954392 SGYVTBTYHAEDKU-UHFFFAOYSA-N 356.470 2.167 30 1 FEEF CC(C)(C)OC(=O)NCCOC(=O)/C=C/C(=O)c1ccc2c(c1)OCO2 1857554767 UQQRPSGIJULQJQ-FNORWQNLSA-N 363.366 2.222 30 1 FEEF O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@H](O)[C@H]2O[C@@H]32)c2cccc(O)c21 2356785336 ABQWPANFECMPDF-XKTVACDSSA-N 352.342 2.203 30 1 FEEF C/C=C(\C)C(=O)O[C@@H]1C[C@H](C=O)[C@@H]2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 238752417 VLYGZNZMBINDJK-MQLYCVJHSA-N 360.406 2.022 30 1 FEEF CNc1nc(Nc2ccc(C(=O)NCC(F)F)cc2OC)ncc1C#N 149482472 NJPSOSOSTBDGBC-UHFFFAOYSA-N 362.340 2.137 30 1 FEEF CCCCN/C(N)=N/c1nc(-c2csc(CNC(C)=O)n2)cs1 13558606 RZJNVDWUUDYNIM-UHFFFAOYSA-N 352.489 2.239 30 1 FEEF C/C(=N\NC(=N)N)c1sc(-c2ccc(C#CC(C)(C)N)cc2)nc1C 1857762101 BWGXQDREJIWLMH-FSJBWODESA-N 354.483 2.414 30 1 FEEF CC(=O)N(O)CC[C@@H](c1ccccc1Br)P(=O)(O)O 72108029 CRGSOVHDWIPQNY-NSHDSACASA-N 352.121 2.296 30 1 FEEF O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncnc2[nH]1 587089075 IQIPIZFRWDPUOO-UHFFFAOYSA-N 364.152 2.435 30 1 FEEF CC=C(C)C(=O)O[C@@H]1C[C@H](C=O)[C@@H]2C(=O)C=C(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]21 2356417221 VLYGZNZMBINDJK-JVRBIKQJSA-N 360.406 2.022 30 1 FEEF O=C1Nc2ccc(F)cc2/C1=N/N=C1\SCC(=O)N1c1ccc(O)cc1 71316051 BESARYKONNKDMP-FXBPSFAMSA-N 370.365 2.324 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238780471 ONPQMJRPONUMCY-VMVVPWINSA-N 362.422 2.268 30 1 FEEF C=C1[C@H](F)[C@]23C[C@H]1CC[C@H]2[C@@]1(C)[C@@H]2[C@@H](OC(=O)[C@]2(C)CC[C@H]1O)[C@@H]3O 238751252 RPTBSUYWCIMCJT-KGPPIGGKSA-N 350.430 2.380 30 1 FEEF CC(C)(O)[C@H](O)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O 14819164 QZJFVTLIVWFNNF-QKYXPGDISA-N 358.390 2.374 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@H](O)C(=O)C=C(C)[C@@H]21 2356552029 ANEOWDWLJGVECN-QDMOIBRLSA-N 362.422 2.102 30 1 FEEF O=C(CCC1=CCN(CCc2ccc(Br)cc2)C1=O)NO 95573334 WUGVFIHQNRWBLP-UHFFFAOYSA-N 353.216 2.046 30 1 FEEF C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]2O[C@]2(C)CC[C@H]1O 238782050 VONCGJWJTWSHIG-VCKNCEQJSA-N 362.422 2.221 30 1 FEEF C#CCn1c(O)c(N=NC(=O)CNC(=O)c2cccnc2)c2ccccc21 299813030 DZOHQCJUAQYDHE-UHFFFAOYSA-N 361.361 2.415 30 1 FEEF CCOC(=O)c1nn(-c2cccc(Br)n2)c(OCC)c1C#N 587876201 MIOWUXZDDAKCPO-UHFFFAOYSA-N 365.187 2.477 30 1 FEEF Cc1noc(CO)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880084 CWRUNMYCCICOAH-UHFFFAOYSA-N 353.205 2.493 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncnc2[nH]cnc12 587889095 FXWTXJLFYXICPP-UHFFFAOYSA-N 360.204 2.370 30 1 FEEF Cc1cc2c(cc1O)[C@@H]([C@H](C=O)c1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)C2 963556502 XJFZGDRVIBZMPJ-RYRKJORJSA-N 370.361 2.232 30 1 FEEF C#CCNC(=O)Nc1ccc(OCC(=O)O)c(NC(=O)C(CC)CC)c1 103250983 JGAGFTCUXMKPJO-UHFFFAOYSA-N 361.398 2.279 30 1 FEEF COC(=O)/C1=C2\Nc3ccccc3[C@@]23CCN(C/C=C\[C@](C)(C=O)C1)C3=O 53600580 NSBBIRUCLLBOMJ-SCZDBBKQSA-N 366.417 2.174 30 1 FEEF COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1CC[C@H](O)[C@H](O)CCC[C@H](C)OC2=O 2356416868 IFTUAAVSCWBNKT-ANDMYVKXSA-N 366.410 2.072 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=CC[C@H](O)[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356601214 OALKRCUXSIESFZ-MAEKRNLMSA-N 364.438 2.301 30 1 FEEF CC[C@H](C)C[C@H](C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(C(=O)O)OC=C2C1=O 2356741369 GIDMWMOVOCXADR-ADWYPQAOSA-N 362.378 2.321 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(C(=O)O)cn1 587888846 BRSKSNFIDDMLJR-UHFFFAOYSA-N 364.188 2.192 30 1 FEEF O=C1C=C[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1N2Cc1ccccc1 15769386 WKEXHQLBCFZJRL-AFYVEPGGSA-N 358.397 2.184 30 1 FEEF O=C(CO[N+](=O)[O-])Nc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 73197324 UHIWAFVLARCRQT-LREOWRDNSA-N 370.317 2.458 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@H](OC(=O)[C@H](C)CC)/C(C)=C/CC[C@]1(C)O[C@H]21 238736931 OVQGHLVSAXKUJP-WSLVUKPESA-N 364.438 2.301 30 1 FEEF Cc1ccc(S(=O)(=O)ON2C(=O)C[C@H]2CSC2=NCCS2)cc1 473114380 NHLYPQWPKODWII-NSHDSACASA-N 372.493 2.052 30 1 FEEF COc1ccc(Nc2c(N/N=C/c3cccc(OC)c3O)c(=O)c2=O)cc1 1857639710 ULRISSWKMCJADZ-KEBDBYFISA-N 367.361 2.195 30 1 FEEF C=C1C=CC(=O)[C@@]2(C)C[C@H](OC(=O)C(C)=CC)[C@@H]3C(=C)C(=O)O[C@H]3[C@H]1O2 2356626278 RAPFQXPCDZDZJK-UFEHZTMNSA-N 358.390 2.205 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1F)[C@@H](C(=O)OC)[C@H]1[C@]2(C)C(=O)O[C@@]13CC[C@@H]2O 2356637124 IAIGXJKNILCTLY-VYZCEBTESA-N 364.413 2.173 30 1 FEEF CC1=C(CCC2=CC(=O)O[C@H]2O)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32 36374631 AVQCCFBDBBQNGI-GNVJSZRZSA-N 360.406 2.206 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H]1O[C@]1(C)CCC[C@@H](C)[C@H]2O 238768885 ZMXFZZOCUKHAFO-LDXNLTLCSA-N 364.438 2.301 30 1 FEEF C#CCOCN1c2ccccc2C(=O)N(Cc2ccccc2)S1(=O)=O 5828008 VYCMMMGNZNJWSC-UHFFFAOYSA-N 356.403 2.001 30 1 FEEF COC1=C(OC)[C@]23CCc4ccc(O)c(OC)c4[C@]2(CCN3C)CC1=O 15267743 VCOZOQJXGDDART-VQTJNVASSA-N 359.422 2.136 30 1 FEEF biogenic COC(=O)[C@H]1CC[C@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 205054101 FKIICIGSBKQIRU-WOSRLPQWSA-N 367.409 2.380 30 1 FEEF Cc1ccc(S(=O)(=O)/N=C2\NC(=O)[C@H](Cc3ccco3)S2)cc1 28888547 KNCZVVVIGSESQQ-ZDUSSCGKSA-N 350.421 2.107 30 1 FEEF CCOC(=O)C1=C(N)Oc2ccc(CC)cc2[C@H]1[C@H](C#N)C(=O)OCC 29464666 NJPLTYJHRHWLJC-ZFWWWQNUSA-N 358.394 2.161 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H](O)C(C)=C[C@H](O)CC(C)=C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356476009 YFXZVQIPUJONOJ-XPXZKLBHSA-N 364.438 2.060 30 1 FEEF COc1c(C(=O)C2=CN3OC(C)=N[C@@H]3N=C2)c(O)c(OC)c2occc12 40878075 XZOJINOJOBVKGC-KRWDZBQOSA-N 357.322 2.256 30 1 FEEF CCCCCCCCC1=CC2=CN(COC(CO)CO)C(=O)N[C@H]2O1 44093671 OHRIHNSATYJMMB-KRWDZBQOSA-N 354.447 2.214 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc(N)c(N2CCN(C)CC2)n1 587910827 UVTPXXVPGBTKDT-UHFFFAOYSA-N 356.857 2.477 30 1 FEEF COC1=CC(=CNN2CCN(Cc3ccc(C)cc3)CC2)C=C(OC)C1=O 13130346 LVBTYJAOTPINGP-UHFFFAOYSA-N 369.465 2.144 30 3 FEEF CCCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@H]1F 28868190 YUNIETNZFITZLK-HOTGVXAUSA-N 352.381 2.262 30 1 FEEF C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@]5([C@H]1N(CC)[C@@H]1O[C@@H]5CC[C@]41C)[C@@H]3C[C@@H]2O 299869337 ULFMQUVPNJZNKM-BBGULEKPSA-N 357.494 2.156 30 1 FEEF C=CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)n1 587885221 CGGRYHRISRPEIQ-UHFFFAOYSA-N 363.248 2.669 30 1 FEEF CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/COCC(=O)O)C[C@H]21 169692549 ARUGKOZUKWAXDS-LHGPIWMOSA-N 374.477 2.225 30 1 FEEF O=C(Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O)c1cccs1 29396202 RTMHFRZSFWPFTD-UHFFFAOYSA-N 366.398 2.189 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]1[C@H](O)CC(C)=C1C(=O)C=C(C)[C@H]12 2356461085 VGRUTNKBHIPCKO-RGCXKDKSSA-N 360.406 2.022 30 1 FEEF NC(=O)c1cc[n+](CCCCCCCC[n+]2ccc(/C=N/O)cc2)cc1 28572743 GYRINIWBCZPZSE-UHFFFAOYSA-P 356.470 2.209 30 1 FEEF CC=C(C)C(=O)O[C@H]1[C@]23O[C@@]2(CC(C)=C2C(=O)C=C[C@]21C)OC(=O)[C@H]3C 2356601281 QQMLUOLOVQRXBR-PSJANZKSSA-N 358.390 2.388 30 1 FEEF CS(=O)(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccc(F)cc2)[C@@H]1C#N 95667923 MDUKBQJNNTZDSK-RCCFBDPRSA-N 360.410 2.105 30 1 FEEF N#Cc1nc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2nc1C#N 586997193 OJQUHHCYLMOMPB-SNVBAGLBSA-N 368.198 2.101 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 169290286 WIJTVLLWRBYBCD-KAWQDNOGSA-N 364.438 2.062 30 1 FEEF C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 6486957 BSQXGCSIDWZSHW-YJBOKZPZSA-N 354.406 2.228 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 104010362 DZTWAOVNNLDWNH-CYPPWUTFSA-N 362.422 2.221 30 1 FEEF CCCc1cc(C2=N[C@H](C(=O)NO)CO2)cc(OC(F)(F)F)c1OC 26839989 NSPXSMWKFKIIBA-JTQLQIEISA-N 362.304 2.197 30 1 FEEF CC(C=CC(O)=C1C(=O)N[C@H](Cc2ccc(O)cc2)C1=O)=C[C@H](C)[C@@H](C)O 2356343438 PJJOESIMAAZBQS-JJRVBVJISA-N 371.433 2.334 30 1 FEEF C[n+]1c(/C=C/c2ccc(/C=N/NC3=NCCCN3)cc2)cn2ccccc21 26825571 NTHGRUUVMBVHHV-CBFVISSUSA-N 359.457 2.207 30 1 FEEF CC(=O)c1ccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1 38153691 TWZWOPVJIXEVNO-XAMWDBKFSA-N 354.366 2.315 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H](O)[C@H](C)CCC[C@]3(C)O[C@@H]3[C@H](OC(=O)C=C(C)C)[C@H]12 257555287 UMHQHFHQQZZQGN-YMDGZOFESA-N 364.438 2.301 30 1 FEEF endogenous,in-man S=C(N/N=C\C=N/NC(=S)N1CCCCCC1)N1CCCCCC1 5850230 PXWCPKBGQYDAOI-XFQWXJFMSA-N 368.576 2.459 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)[C@H]1O[C@]1(C)CCC[C@@H](C)[C@H]2O 238761384 ZMXFZZOCUKHAFO-JJJSTZTLSA-N 364.438 2.301 30 1 FEEF N#Cc1nc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2nc1C#N 587079970 MCPPJBUUMIIESJ-NSHDSACASA-N 362.784 2.473 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nc[nH]c1[N+](=O)[O-] 587889631 QEPPHVNNYMQPJR-UHFFFAOYSA-N 353.165 2.335 30 1 FEEF N#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC12CC3(F)CC(F)(CC(F)(C3)C1)C2 13687428 GJBVACWPVOXBNV-BTXVZVFQSA-N 366.387 2.228 30 1 FEEF CC(C)(C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](C(N)=O)(C3)C2)c1ccc(C#N)cn1 100075752 ZTAWWPCARCIRRE-KTVYDAEYSA-N 366.465 2.027 30 1 FEEF CN(Cc1nc2cc(C#N)cc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 586929494 WMPVSESYJAZFBR-UHFFFAOYSA-N 361.814 2.304 30 1 FEEF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H](C)[C@@]23C[C@@H](C=O)C(C(=O)O)=C3C1 2356358360 ONVFWWSLKLZNNB-WQSLLIHCSA-N 357.454 2.383 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H](O)C(C)=CC[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356313600 MKARTHSOYIRTRD-XFNMEUKGSA-N 362.422 2.221 30 1 FEEF COc1ccccc1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O 100446718 LGNLZFDKVCVHCH-ATONZIQJSA-N 367.401 2.498 30 3 FEEF O=C1C=CC(O)(c2cc3cnccc3n2S(=O)(=O)c2ccccc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c1cn(Cc2cn(-c3ccc4c(c3)OCO4)nn2)c2ncccc12 653709177 YNUCTLNNFQLHAS-IFRROFPPSA-N 362.349 2.202 30 1 FEEF C#CCOc1cnc(C(=O)Nc2cccc(CNc3cccnc3N)c2)cn1 150184406 GDAPCOAWIWVVSW-UHFFFAOYSA-N 374.404 2.330 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)CC(C)C)[C@@H]12 1857626616 JENRVVOVQAIGRV-AWLYZTDZSA-N 364.438 2.301 30 1 FEEF COC1=C[C@]23CCN(C)[C@@H](CC2=CC1=O)Cc1cc(O)c(OC)c(OC)c13 100196605 IARVLXWJKDTDKP-SPLOXXLWSA-N 371.433 2.337 30 1 FEEF in-vitro C=C1C[C@@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCO)[C@H]1O[C@H]3[C@@H](O)[C@H]42 2356557038 XVARHTVYWCXJEW-YXHDOPDGSA-N 373.493 2.076 30 1 FEEF C=C1C=CC(=O)[C@@]2(C)C[C@H](OC(=O)C(C)=CC)[C@H]3C(=C)C(=O)O[C@H]3[C@H]1O2 2356626279 RAPFQXPCDZDZJK-UTTMJGGOSA-N 358.390 2.205 30 1 FEEF COc1ccc([C@H]2NC3=C(CCCC3)[C@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1 195414215 HXZAFDZRTPBTFB-NSISKUIASA-N 361.405 2.085 30 1 FEEF C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 15256558 GWJAUARFGPKLMT-RWSANZMKSA-N 364.438 2.046 30 1 FEEF endogenous,in-man CC(=O)O[C@@H]1C=CC(=O)O[C@@H](C)CCC(=O)C=CC(=O)O[C@@H](C)CC1 2356658521 UXRNECNLNMQCRR-XEZPLFJOSA-N 352.383 2.037 30 1 FEEF CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2cccc(C#N)c2)no1 61908103 SUWRBEYEWTXRHB-HNNXBMFYSA-N 374.422 2.285 30 3 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(C)=O)[C@@H]1CC[C@H](OC(C)=O)[C@]12C 2356781278 IFKXXSFDNAVPTP-NWBNHEMOSA-N 350.411 2.405 30 1 FEEF CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N 95798440 CFJIAGLDRQFYKD-ZVDOUQERSA-N 367.424 2.233 30 1 FEEF C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 15256562 GWJAUARFGPKLMT-RGOUDYHGSA-N 364.438 2.046 30 1 FEEF endogenous,in-man C[C@H]1CC/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2ncc(C(=O)O)c(=O)n21 38153711 GEOWXBCFHWIEKV-STJSCAKDSA-N 357.326 2.021 30 1 FEEF Cc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@]23[C@]12O[C@H]2[C@@H]1O[C@]1(C(C)C)[C@@]3(C)O 71332257 ZAHYIZWVACPTCH-VEKMGFTLSA-N 358.434 2.471 30 1 FEEF CC(C)=CC[C@H](OC(=O)[C@@H]1O[C@@H]1C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 40379356 JFAQZHIETYMALG-RSXSOOJNSA-N 372.373 2.459 30 1 FEEF C=C(CCO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 147524483 DTSRWZQRWMWHDL-HEDSXVFTSA-N 364.438 2.063 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc(-n2cnnn2)c(C(=O)O)c1 587902039 GIUIOXMOXRXEDG-UHFFFAOYSA-N 354.753 2.422 30 1 FEEF CC(C)(C)[C@@H]1NC(=O)[C@@H](CC(=O)NO)CCCCCCCCCNC1=O 29048038 NBAKJSFARXQMEE-GDBMZVCRSA-N 369.506 2.280 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@]3(C)[C@H](O)C(=O)C(OC(=O)CC(C)C)=C(C)[C@@H]3C[C@@H]12 2356635554 BVGITALSDLQLPL-LSVSEMBBSA-N 362.422 2.307 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc(S(N)(=O)=O)cc1C(=O)O 587918234 HVYKPSFAXZHMLV-UHFFFAOYSA-N 365.794 2.094 30 1 FEEF COc1ccc(/C=C/C=N/N2C(SC)=N[C@H]3[C@@H]2N(C)C(=O)N3C)cc1 1857639332 NJWLUQSQWJTCOT-FAOIOILMSA-N 359.455 2.378 30 1 FEEF C=C1C(=O)[C@@]23[C@@H]([C@H](O)C[C@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1C[C@H]3O[C@H]2OC 2356338897 DZEDOCQBLMZSHN-FBINMTRWSA-N 362.466 2.057 30 1 FEEF CC1=CC(=O)O[C@H](C=C(C)[C@H](O)C[C@@H](O)[C@H](C)C2=CC(=O)C(C)(C)O2)C1 2356397300 AHEIFTPGTZGXOJ-CAOSSQGBSA-N 364.438 2.204 30 1 FEEF O=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C1CCCC1 653812627 IGPANSHTABOGLQ-ZPHPHTNESA-N 356.407 2.102 30 1 FEEF C[C@@](CCc1ccc(-c2ccc(O)cc2)cc1)(C(=O)NO)S(C)(=O)=O 73310239 LICRIQHQBZYTRN-GOSISDBHSA-N 363.435 2.301 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@](C)(C(=O)O)CCC[C@@]31C=O 85800055 XIYAYYIGCSWTQO-YIKNXGDOSA-N 362.422 2.111 30 1 FEEF in-man C=C1[C@H](O)[C@]23C[C@H]1C(=O)C[C@H]2[C@]12[C@@H]4CC[C@]5(C)[C@H]1C[C@H]3[C@H]2N(CC)[C@@H]5O4 255285160 YSSPOBAEOOLGAT-YLKDUOQASA-N 355.478 2.364 30 1 FEEF CC1=C(O)/C(=C2/NNC(C(=O)O)=C2c2nc3ccccc3s2)C=CC1=O 103757110 FNJBMJQTRAXUAQ-NTEUORMPSA-N 367.386 2.425 30 3 FEEF CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1 113627984 FRXAKVHWABXMGZ-LBPRGKRZSA-N 354.401 2.158 30 1 FEEF O=C(/C=C/c1cc(O)c(O)c(O)c1)CC(=O)/C=C/c1cc(O)c(O)c(O)c1 34282837 GIDVLQQBDXIXMW-ZPUQHVIOSA-N 372.329 2.175 30 1 FEEF Cc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)c1 82064895 AUPOWCHZKIYLRO-SFHVURJKSA-N 351.406 2.472 30 1 FEEF O=C(OC[C@@H](O)CS)c1csc([C@H]2COc3ccccc3O2)n1 13586939 WWBMVHKTRROALT-NOZJJQNGSA-N 353.421 2.103 30 1 FEEF CN(C)c1ccc(CNC(=O)NCCCCCCNC(=O)CS)cc1 28136000 BWAHTDJXKNZJRH-UHFFFAOYSA-N 366.531 2.158 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@@](C2)([C@@H](O)[C@H]2CC[C@]4(C)C(=O)O[C@H](O)[C@@H]4[C@@]23C)[C@@H]1OC 2356628578 YDAHNBSRNIYZOQ-NNFNTCDKSA-N 362.466 2.262 30 1 FEEF COc1cc(/C=C/C(=O)c2c(C)[n+]([O-])c3ccc(F)cc3[n+]2[O-])ccc1O 28825601 GYJZWFWHQZNIOB-XBXARRHUSA-N 370.336 2.164 30 1 FEEF CC#Cc1cc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)CO3)ccn1 149298357 ZANYLJKRBCWFFU-OAQYLSRUSA-N 361.401 2.069 30 1 FEEF C=C1[C@H]2C[C@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@H]54)[C@@H]1O 255201640 CBOSLVQFGANWTL-MPJGKJTMSA-N 357.494 2.000 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cccc(NC(=O)CNCCO)c1 587905057 JQFHQKYCBCLHAK-UHFFFAOYSA-N 358.825 2.269 30 1 FEEF C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)C1=O 587039801 VIGDNRFKICIDBD-ZDUSSCGKSA-N 358.423 2.057 30 1 FEEF C=CC[C@]12CC(=O)[C@H](O)[C@H]([C@@H]1O)[C@H](C)[C@@H]2c1cc(OC)c2c(c1)OCO2 2356462351 OCBRHHMDESBRER-FYJLIENKSA-N 360.406 2.031 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@H](OC(=O)C(=CC)CO)[C@@H]12 2356567369 QKLHPFYRHSIPQP-RCCFBDPRSA-N 360.406 2.190 30 1 FEEF CON/C(=N\C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 66112957 SZVHOAKVKXIWHN-UHFFFAOYSA-N 372.212 2.046 30 1 FEEF O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C(=O)/C=C(\O)C(=O)O)cc1 102255759 TYOXUBNIBSBRLC-VOXZCELMSA-N 369.329 2.459 30 1 FEEF CC(C)=C[C@@H]1O[C@]23C(=O)C=CC(=O)C2=C[C@@H]2[C@H](CC[C@]2(C)O)[C@]3(C)C1=O 2356450221 MCGMYKPCCJOWKR-MHVJFMKUSA-N 356.418 2.091 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)C(=O)C=C(C)[C@@H]21 2356552027 ANEOWDWLJGVECN-MHFGJITISA-N 362.422 2.102 30 1 FEEF C=C1C[C@@]23CC[C@@]1(O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 2356776739 WGYAERWVUYZRAO-AXYBUVBISA-N 362.422 2.255 30 1 FEEF C=C1C[C@@](C)(c2cncc(NC(=O)c3cnc(OC)cn3)c2)N=C(N)S1 147034649 FWRHQSSBQXQXID-KRWDZBQOSA-N 370.438 2.313 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@@]12O 238781256 FKEMRUDCQBDXII-OIHXVOPMSA-N 362.422 2.124 30 1 FEEF O=C(CCCCc1cn(Cc2ccc(Br)cc2)nn1)NO 96907694 FWSYBRDUVQKLRH-UHFFFAOYSA-N 353.220 2.307 30 1 FEEF C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2O)C1=O 1857594256 OVVPXKCRMROTBY-IBGZPJMESA-N 367.336 2.053 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)C(=O)C=C[C@@](C)(O)[C@@H]21 2356432986 RQPDOHFQRIVDLC-VIDMFWFOSA-N 362.422 2.102 30 1 FEEF COC1=C[C@]23CCN(C)[C@@]2(CCc2cc4c(c(OC)c23)OCO4)CC1=O 2356651730 ABMKGESNDNGXSF-PMACEKPBSA-N 357.406 2.185 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C[C@@H](C)CO)[C@@H]12 257382753 AZJBNIAMAOUEAH-DPHUBDNNSA-N 364.438 2.063 30 1 FEEF biogenic Cc1nn(C)cc1[C@@]1(CC#N)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219034 CLNSFCCKONROQK-ICSRJNTNSA-N 361.405 2.033 30 1 FEEF CNc1cccc2c1C(=O)[C@@H]1[C@H]3C(O)=C(C(C)=O)C(=O)N3C(C)(C)[C@H]1C2 2356744137 FNIHUSOGDPMUFQ-UVBJJODRSA-N 354.406 2.104 30 1 FEEF CO[C@@H](CN1CCN(c2ccccn2)CC1)/C(=N/O)c1cccc(C)c1 36475921 CRPDSGPIDWBZJJ-LQTLECTNSA-N 354.454 2.406 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@@H]12 238780283 ISNCBKDTMCCSDO-LHRVHFEYSA-N 362.422 2.221 30 1 FEEF C=Cc1sc(-c2nccs2)nc1C(=O)NCCCNC(=O)CS 147377391 AWBXFHZWLPFYHT-UHFFFAOYSA-N 368.509 2.076 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 238776511 DZTWAOVNNLDWNH-JKXPNGNVSA-N 362.422 2.221 30 1 FEEF COC(=O)C1=C(Nc2cccnc2)O/C(=C\c2c[nH]c3ncccc23)C1=O 1772638643 XAVRFJFXNHSWGK-ZSOIEALJSA-N 362.345 2.395 30 1 FEEF CC(=O)NC(C)(C)C(=O)[C@]1(C)CC2=C(C1=O)c1cc(C)cn1C(C)(C)C2=O 2356864555 VWGCVXUECMOABY-OAQYLSRUSA-N 370.449 2.331 30 1 FEEF COC(=O)[C@@H](NC(=O)CCC(=O)/C=C/c1ccc2c(c1)OCO2)C(C)C 96905805 OKOSLIFTENHJSG-JXTAAOLFSA-N 361.394 2.092 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 523041479 DZTWAOVNNLDWNH-DTRDQQTDSA-N 362.422 2.221 30 1 FEEF biogenic C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@H](C(=O)CO)[C@@]34C[C@H](O[C@@H]4O)[C@H]12 255261665 QUQBHBRVKLEOEI-FXOPVXKASA-N 360.450 2.003 30 1 FEEF COC(=O)c1ccc(-n2c(OC)cc(C#N)c2OC)c(O[C@@H]2CCOC2)c1 587926318 WZGLUESZZIBCND-CQSZACIVSA-N 372.377 2.320 30 1 FEEF Cn1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C=O 587889336 JVDJLKFZHOEAKQ-UHFFFAOYSA-N 350.205 2.250 30 1 FEEF N#CC1(C#N)N[C@@H](c2cccs2)C(C#N)(C#N)N[C@@H]1c1cccs1 23478271 BSQDLFOCPMYZAE-OKILXGFUSA-N 350.432 2.357 30 1 FEEF C/C=C(/C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 238739103 FNOWQNASVNSUCO-GPPYJLAZSA-N 360.406 2.180 30 1 FEEF biogenic COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@@]12C=CC(=O)[C@H]3[C@@H](C(C)=O)C2 263590796 QJPARXZHFAWPOE-HLFHEINLSA-N 367.445 2.249 30 3 FEEF C=C(C)[C@H]1C/C=C(/C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@H](CC(=O)C1)O2 15199744 CCRQLJVTUBLUBL-HFVBHBNVSA-N 362.422 2.497 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)C=C(C)C)[C@@]1(O)CCC(=O)[C@@]21C 2356625632 TYAWIPYSWAZYAE-IKWNAHHTSA-N 362.422 2.104 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@H]1CO 95797787 YAVSIOSUTYBUSS-KZNAEPCWSA-N 360.410 2.105 30 1 FEEF C=C1NC(=O)C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=C(C)N1 587891079 MMCCUHDXPDXFRI-UHFFFAOYSA-N 364.232 2.120 30 1 FEEF N#Cc1nc2nc(-c3cccn4c(Br)cnc34)nc-2[nH]c1C#N 587007847 PLEIEXFCRQVOCB-UHFFFAOYSA-N 365.154 2.125 30 1 FEEF CC(C)[C@@H]1[C@H](O)C(=O)C2=C(O)C3=C(C(=O)O)[C@H](O)CC[C@@]3(C)CC[C@@]21C 2356408647 LLMHFPULZDGBHG-PFVAOWGLSA-N 364.438 2.357 30 1 FEEF NC(N)=N/N=C\c1c(-c2cccc([N+](=O)[O-])c2)nc2sc(Cl)cn12 31909812 ZUCVGJVUJSOEMH-ZWSORDCHSA-N 363.790 2.232 30 1 FEEF Cc1nc(NCCC#N)nc(-n2c(Nc3cc[nH]n3)nc3ccccc32)n1 71317762 XOMIZGULIHREBM-UHFFFAOYSA-N 360.385 2.311 30 1 FEEF C=C1[C@H]2CC[C@@]3([C@H]1O)[C@@H](C2)[C@@]12CCC[C@@](C)(CN(CCO)C1)[C@H]2C[C@H]3O 14857648 LAGBIQKFHSDYJZ-YZWRWILZSA-N 361.526 2.185 30 1 FEEF biogenic CCCCCCCCC#Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O 43589873 XWOZZHXXESHULU-GVDBMIGSSA-N 366.433 2.257 30 1 FEEF Cc1ccc2c(c1)[C@]1(NCCc3cc(C)c(F)cc31)[C@H]([N+](=O)[O-])C(=O)O2 962370925 FNKKARAMFUQULV-MJGOQNOKSA-N 356.353 2.396 30 1 FEEF N#Cc1cncc(N2CC[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C2)n1 168435789 HWLPHWZXMLSNLA-LBPRGKRZSA-N 366.805 2.193 30 1 FEEF CC(=O)/C(=C\NOCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1 207648909 AZNNSRVDUVKWCO-MDWZMJQESA-N 362.367 2.184 30 1 FEEF COc1ccc(Cl)cc1-c1cc(N(C)C(C)=O)c(C(=O)N=C(N)N)o1 28822469 CBYAATLHSVOXMP-UHFFFAOYSA-N 364.789 2.005 30 1 FEEF COc1ccc(C(=O)/C(=N\C2CCCC2)n2ncc(C#N)c2N)c(OC)c1 299836023 XVOGPAPNMWKGRQ-FCDQGJHFSA-N 367.409 2.426 30 1 FEEF CCOC[C@@H](COc1ccccc1NC(=O)CC[S+](C)C)OC(C)=O 26992783 KCVXVCVPHGNDOP-HNNXBMFYSA-O 370.491 2.240 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356388805 SGOMJRGREDEDDZ-DUOKCRBOSA-N 364.438 2.063 30 1 FEEF CS(=O)(=O)OC(COc1ccccc1C#N)COc1ccccc1C#N 2178320233 RCASAVNNRHKAAT-UHFFFAOYSA-N 372.402 2.233 30 1 FEEF CNCCN(C)Cc1nc2ccc(C#N)cc2c(=O)n1-c1ccccc1F 169305379 KZNXMPOZCMRSCP-UHFFFAOYSA-N 365.412 2.048 30 1 FEEF CC[C@H](C=C(C)C=CC(O)=C1C(=O)N[C@H](Cc2ccc(O)cc2)C1=O)CO 2356505580 JEPJHUQQXXYAIP-RHSMWYFYSA-N 371.433 2.335 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H]3O[C@@](O)(C=C3C)[C@H](C)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356570459 JHAIOJGPPHPVOU-FBIUXZDUSA-N 362.422 2.426 30 1 FEEF N#C[C@@H]1CCC2(C[C@@H]1n1cc(C(N)=O)c(Nc3ccccc3)n1)OCCO2 218555368 GOYVGGAPXFQVDR-BBRMVZONSA-N 367.409 2.333 30 1 FEEF C/C(=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 1911584903 VWRJVNQMQSICGG-LICLKQGHSA-N 360.351 2.439 30 1 FEEF C=C(C)[C@@H]1C/C=C(\C(=O)OC)CC(=O)C[C@]2(C)CC(=O)[C@H](CC(=O)C1)O2 85725032 CCRQLJVTUBLUBL-DZFYVLQKSA-N 362.422 2.497 30 1 FEEF N#CCNC(=O)[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccc(F)c(F)c1 82064452 YCPIGPIIVIBULO-DGCLKSJQSA-N 356.394 2.185 30 1 FEEF O=C(O)c1ccnc(NC(=O)[C@H](CS)Cc2ccc3c(c2)OCO3)c1 89456360 ZAYABIOMDQLHPM-LBPRGKRZSA-N 360.391 2.236 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H](O)/C(C)=C\C(=O)/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 156033299 VUURQISRHJCAJY-GJRMTMLFSA-N 360.406 2.189 30 1 FEEF biogenic CN(C)c1ccc2[nH]c(O)c(/C=N/c3ccc(S(N)(=O)=O)cc3)c2c1 101002256 NMIBTJKGMMFLAN-VXLYETTFSA-N 358.423 2.338 30 1 FEEF O=C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2 2356439639 XSFUERJLALKATQ-JKSUJKDBSA-N 356.374 2.353 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1OC)[C@@H](O)[C@H]1CC[C@]2(C)C(=O)O[C@H](O)[C@@H]2[C@@]13C 2356628577 YDAHNBSRNIYZOQ-JCFOEBFKSA-N 362.466 2.262 30 1 FEEF C=C1[C@H](OC)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@H](CC[C@@]2(C)C(=O)O[C@H](O)[C@H]21)[C@@H]3O 69482354 YDAHNBSRNIYZOQ-PKMOMDBXSA-N 362.466 2.262 30 1 FEEF biogenic,in-vitro CCOC(=O)c1nn(CC)c(=O)c2nn(Cc3ccc(C#N)cc3)c(C)c12 49126281 BRDPDSVYNBJBNI-UHFFFAOYSA-N 365.393 2.018 30 1 FEEF CC(=O)O[C@@H]1/C=C/C(=O)O[C@H](C)CCC(=O)/C=C/C(=O)O[C@H](C)CC1 149490902 UXRNECNLNMQCRR-ZUVXFDFKSA-N 352.383 2.037 30 1 FEEF N#Cc1ccc(-c2cccc(S(=O)(=O)N3CC[C@H](N4CCC4)C3)n2)cc1 201744983 XHCMSJHYEVLGDK-KRWDZBQOSA-N 368.462 2.089 30 1 FEEF Cc1c(C(=O)NCc2ccc(C#N)cc2)sc(=O)n1Cc1ccccn1 61930211 NDMFJHINOXTCRP-UHFFFAOYSA-N 364.430 2.463 30 3 FEEF CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 95897964 NAAUMJMVSZXHSJ-HKBOAZHASA-N 366.461 2.444 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)C=C(C)C)[C@H]1O[C@]1(C)CCC[C@@H](C)[C@H]2O 15158336 UMHQHFHQQZZQGN-NOAROMHISA-N 364.438 2.301 30 1 FEEF endogenous,in-man C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 100780343 ZMXFZZOCUKHAFO-XIORVOIMSA-N 364.438 2.301 30 1 FEEF endogenous,in-man CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(F)ccc43)[C@@]2(C)SC1=O 71316061 FXDXGZXMYRMICQ-ZWKOTPCHSA-N 363.410 2.476 30 1 FEEF Cc1ccccc1Oc1ccccc1S(=O)(=O)N[C@H](C=O)CC(=O)O 14949104 NIWORFZHCLVJEB-ZDUSSCGKSA-N 363.391 2.108 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H](OCC)CC(=O)[C@]3(C)[C@@H](OC(C)=O)[C@H]12 2356640467 CSYMRIFJBJCIHM-ROHQHCJCSA-N 350.411 2.056 30 1 FEEF CCCCCCC[C@H](O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C3=C(COC3=O)C[C@H]12 2356722191 ZZAXCVQQCOPGFS-FCIKYMEBSA-N 350.411 2.082 30 1 FEEF CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)[C@H](C(=O)O)[C@@]12NCCc1ccc(O)cc12 963343375 UWGPEQPPEYAPPA-SUNVKVAISA-N 369.417 2.272 30 1 FEEF COc1ccc(S(=O)(=O)N2CCC(Nc3cc(C#N)ccn3)CC2)cc1 1857766646 SLQVVLQNUARGFA-UHFFFAOYSA-N 372.450 2.227 30 1 FEEF CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N[C@@H]3CCOC3)nc2)cc1 113409448 JNGAWHMFLKUMSE-FOIQADDNSA-N 364.449 2.144 30 1 FEEF C#C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(C(=O)OC)c1 2356751709 INOPSFKGBHUBJL-JKIFEVAISA-N 357.479 2.103 30 1 FEEF C[C@@H]1CCC[C@H](/N=C(\O)[C@]2(C)CCC(=O)N2CCN2CCOCC2)[C@@H]1C 34861330 MLDDLJYBEYZZPM-WWNBULGVSA-N 365.518 2.481 30 1 FEEF N#CCNC(=O)[C@@H](NC(=O)c1ccccc1)SCCc1ccccc1 79428213 SZCFYQMNBNCOKW-IBGZPJMESA-N 353.447 2.358 30 1 FEEF COc1ccc(/C(N)=N/O)cc1-c1cc(-c2ccc(/C(N)=N/O)cc2)on1 103226155 AMDQHTGSLKHODK-UHFFFAOYSA-N 367.365 2.206 30 1 FEEF COC(=O)CSC1=NN/C(=C2/C=CC=CC2=O)N1c1ccc(C)cc1 104023108 SGISRPMQWHVPIV-SAPNQHFASA-N 355.419 2.489 30 3 FEEF COc1cc(/C=N\NC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)cc(OC)c1OC 100552462 KTYWYQHDGYWPLM-OUKPXWNZSA-N 361.467 2.475 30 1 FEEF C=C(C)C[C@H]1N(c2cccc(OC)c2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@]21O3 103108706 NAMJXTOLLRLBNM-YPLULLRNSA-N 355.390 2.401 30 1 FEEF C[C@@H]1C(=O)C2=C([C@@H]3OCO[C@@H]3C=C2)[C@](O)(c2ccc3c(c2)OCO3)[C@@H]1C 2356426363 VOGHWSDTSPLGNL-ZGKWKDRJSA-N 356.374 2.066 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@H]3O[C@]3(CO)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 523042470 YUTJTNWTRUUIQT-HNUWYJSQSA-N 362.422 2.222 30 1 FEEF biogenic COc1cc(/C=N\n2c(S)nnc2-c2[nH]nc3c2CCC3)ccc1O 2449648 VDULJFTWNBLDMB-IUXPMGMMSA-N 356.411 2.042 30 1 FEEF COC(=O)[C@@H]1C(=O)C=C(Nc2cccc(N3CCN(C)CC3)c2)C[C@H]1C 1857650341 XZTATZTXFIHCPL-KUHUBIRLSA-N 357.454 2.132 30 1 FEEF O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)[C@H](O)[C@H](O)[C@@H]3O 2356323513 LYFFSXMYKSNTOT-HSALFYBXSA-N 350.326 2.055 30 1 FEEF CC=C1CN2CC[C@]34c5cccc(O)c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c2ccccc2)C(=O)O[C@H](CCC)[C@H]1CCO 40428837 FATQDDMSYIPSEM-NUJGCVRESA-N 352.452 2.499 30 1 FEEF N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@@H]3CCCOC3)nn2)CC1 95562867 QUKHVTGJPVTSLU-DOMZBBRYSA-N 357.439 2.250 30 1 FEEF CC1=CC2=C(C[C@@H](C)C3=CC(=O)C[C@H](C)O3)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 1772598753 AADHJCJGLIXFMQ-JWPJPDBBSA-N 360.406 2.084 30 1 FEEF C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 43775613 UVZWUNSCDXVJEB-XSFVSMFZSA-N 374.466 2.007 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cccc(S(=O)(=O)NCCO)c1 587918120 BNGZKFYZFRYONL-UHFFFAOYSA-N 365.838 2.019 30 1 FEEF COC[C@@H](C)Nc1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 142359277 WKVLWMBDDGEHPY-HZPDHXFCSA-N 366.465 2.390 30 1 FEEF Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2ccccc2)n1 96900943 CRKIVDXXISLHLO-UHFFFAOYSA-N 358.445 2.430 30 1 FEEF CC(C)=C[C@H]1O[C@@]23C(=O)C=CC(=O)C2=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@@]3(C)C1=O 238786245 MCGMYKPCCJOWKR-HVKQWWOTSA-N 356.418 2.091 30 1 FEEF O=C1C=C(Nc2cccc(CO)c2)C(=O)C=C1Nc1cccc(CO)c1 299827620 PONHDIWNKSUXDR-UHFFFAOYSA-N 350.374 2.115 30 1 FEEF C=C1NN(C)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587767392 IVRDPOKOSGJZQJ-VXJOIVPMSA-N 354.223 2.198 30 1 FEEF O=C(O)C[C@@H](O)/C=N/c1cc(Br)cc(Br)c1O 1857653294 TXXMZGCWNGRZRW-ATKUDTDSSA-N 366.993 2.455 30 1 FEEF CC(C)(O)c1cn([C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 40847975 KQPBRFALEYFWBN-QGZVFWFLSA-N 353.378 2.032 30 1 FEEF C[C@@H](O)C#Cc1ccc([C@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1 95876995 QJZIHDAGXDAYFK-DZWOVHDNSA-N 368.521 2.053 30 1 FEEF CC(C)(C)OC(=O)N/C(=N/Cc1ccccc1)NC(=O)N1CCOCC1 473144349 APSOBOJTESTONC-UHFFFAOYSA-N 362.430 2.109 30 1 FEEF C=CCN(C)C[C@H]1O[C@@H](CN[C@H](C=O)Cc2cnc[nH]2)C[C@H]2CCCC[C@H]12 1911570478 JNWHGARTELWOGE-KPACCLEDSA-N 374.529 2.191 30 1 FEEF C[C@@H]1[C@@H](O)C=C2C(=O)[C@@H]3O[C@]3(C)CC[C@H]3O[C@@]3(C)CC[C@]1(C)[C@@]2(C)O 238738305 FTVDKPGEDFWDPA-OOQIYLPPSA-N 350.455 2.139 30 1 FEEF N#CC1(n2cc([C@@H](NC(=O)C3CCOCC3)C3CCCCC3)nn2)CC1 95563088 DTZFRRHTJQHPOB-KRWDZBQOSA-N 357.458 2.455 30 1 FEEF N#CCC(=O)N1CCC(F)(F)[C@@]12CCCN(c1ncnc3[nH]ccc13)C2 169699002 AVIKPBMGOFXGTJ-INIZCTEOSA-N 360.368 2.078 30 1 FEEF N#Cc1ncc2nc1OCC/C=C/COc1ccc(O)cc1NC(=O)N2 103311504 SYPTWERBNSJDIK-OWOJBTEDSA-N 353.338 2.415 30 1 FEEF COC1=CC=C/C(=C\NNC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)C1=O 36498707 XOMLECDFUIAPBX-OTDORADUSA-N 357.479 2.109 30 1 FEEF C=CCOc1ccccc1OCC(=O)NCCNC[C@H](O)c1ccccc1 40632150 PZIVLOFLWBFDIS-SFHVURJKSA-N 370.449 2.070 30 1 FEEF [3H][C@H]1C(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]45C[C@@H](O[C@@H]5O)[C@@H]3[C@@]2(C)[C@@H]1[3H] 169313855 QUQBHBRVKLEOEI-XLNLDTIJSA-N 364.466 2.003 30 1 FEEF O=C[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)N1CCOCC1 103261733 WULITDJTQGZBRF-FQEVSTJZSA-N 367.449 2.256 30 1 FEEF CN1CCN(c2nccc([C@@H](C#N)c3nc4ccccc4s3)n2)CC1 34021691 DBOLZWKIJLJXJS-CYBMUJFWSA-N 350.451 2.494 30 1 FEEF N#Cc1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)cc2)ccn1 221939993 UNHYOFVDBZVSEV-YHELAOLJSA-N 371.444 2.312 30 1 FEEF CCNC1=C(NC(=O)c2ccc(OC)cc2)C(=O)c2ccccc2C1=O 5501932 RYUNJNABVVIRGA-UHFFFAOYSA-N 350.374 2.325 30 1 FEEF C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@H](O)[C@@](C)(O)CC[C@]1(C)[C@H]2CO 100788055 JSAUPAKLVRDPNL-DQAPRGMSSA-N 354.487 2.060 30 1 FEEF COC(=O)[C@@]1(Cc2cccc(OCc3ccccc3)c2)C[C@@H]1C(=O)NO 29134860 YSOHBNNUZLJFTL-XLIONFOSSA-N 355.390 2.493 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@@H]12 2356578930 KVJTZBSGBYRUOR-YPLULLRNSA-N 364.438 2.204 30 1 FEEF 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104009277 PPJABTMPYFRBKL-UYTDBDHRSA-N 357.362 2.356 30 3 FEEF N#C[C@@H](c1ccnc(NCCn2cncn2)n1)c1nc2ccccc2s1 135738385 AXEBCVIPELYPGM-LBPRGKRZSA-N 362.422 2.445 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@H](C)CC)CC/C=C(/CO)C(=O)C[C@@H]12 238730862 QHGKREFYCJPLAM-SDVITQLFSA-N 362.422 2.272 30 1 FEEF COC1(OC)[C@H]2C(=O)C=C(c3ccccc3)[C@@]1(O)Oc1ccc(O)cc12 1772574661 IYVIUFJKZPRISH-RTBURBONSA-N 354.358 2.212 30 1 FEEF O=C(OC[C@H](O)CS)c1csc([C@@H]2COc3ccccc3O2)n1 13586938 WWBMVHKTRROALT-ZANVPECISA-N 353.421 2.103 30 1 FEEF COc1ccc(/C=C/C=N/N2C(SC)=N[C@@H]3[C@@H]2N(C)C(=O)N3C)cc1 1857639330 NJWLUQSQWJTCOT-BHHUCQEYSA-N 359.455 2.378 30 1 FEEF COC(=O)[C@H]1C(=O)C=C(Nc2cccc(N3CCN(C)CC3)c2)C[C@@H]1C 1857650340 XZTATZTXFIHCPL-IFXJQAMLSA-N 357.454 2.132 30 1 FEEF COC(=O)Nc1cc(N[C@@H](C)/C(=N/O)c2ccccc2)c([N+](=O)[O-])c(N)n1 27196631 GINQORSYYWRHDD-NCJJKJEDSA-N 374.357 2.429 30 1 FEEF C[C@H](S)CC(=O)N[C@@H](CSCc1ccc(N(C)C)cc1)C(=O)O 40879362 NWXSGAQNPXAQNF-FZMZJTMJSA-N 356.513 2.264 30 1 FEEF COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587811966 YCTUOPUOOFXDOK-KWKYVRJSSA-N 356.191 2.405 30 1 FEEF COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@@H]34)[C@]2(C)C1=O 2356532751 WJRYKXDCVDXQKS-WVMSRYTGSA-N 374.433 2.429 30 1 FEEF CC(C)=CC[C@@H](OC(=O)CCO)C1=CC(=O)c2c(O)ccc(O)c2C1=O 72177570 YCQPDSVSMCBEIX-OAHLLOKOSA-N 360.362 2.054 30 1 FEEF C=C[C@]1(C)C(=O)C=C([C@](C)(O)COC(C)=O)C[C@H]1C(=C)COC(C)=O 14781691 FRTWIOLVDNAYBY-YTQUADARSA-N 350.411 2.128 30 1 FEEF biogenic C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)[C@@H](C)O)=C/C[C@H]12 139653783 JTFXNPPZNWSQAJ-SWOOZJLOSA-N 364.438 2.063 30 1 FEEF N#Cc1cc([C@H]2C3=C(CCCC3=O)NC3=C2S(=O)(=O)CC3)ccc1F 103303534 NZSMULPRYLEZCN-INIZCTEOSA-N 358.394 2.421 30 1 FEEF Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2ccc3c(c2)OCO3)s1 28460099 HGEUXTMGQBPXFH-FZSIALSZSA-N 373.354 2.022 30 1 FEEF CC[C@@H](C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@]2(O)[C@H]2OC(=O)[C@@H](C)[C@H]12 238778762 AFXFTKGOFINZCJ-SASXRNCOSA-N 362.422 2.102 30 1 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O=C(NO)c1ccc2c(c1)C[C@]1(CC2)CCN(Cc2ccncc2)C1=O 1857578429 PQINUHJFISBBJU-FQEVSTJZSA-N 351.406 2.108 30 1 FEEF N#C[C@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 1857654285 QNNBJFJBOJWYKJ-GOSISDBHSA-N 356.403 2.271 30 1 FEEF CC(C)[C@@H]1C[C@@]23CCCN2C(=O)[C@]1(/C=C1\Nc2ccccc2C1=O)NC3=O 105557108 ZYQGZNMJYUPXGP-ARDZYQAHSA-N 365.433 2.084 30 1 FEEF CCc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@@]23[C@H](O)[C@@]2(C(C)C)O[C@H]2[C@@H]2O[C@]213 71341931 VJXOWXDNUANFQI-JNFWGSAOSA-N 358.434 2.335 30 1 FEEF C=CCON(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC(=O)N1 653728710 RXXOBGWWBZNEJL-NSHDSACASA-N 359.260 2.019 30 1 FEEF CC(=CCO[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@@]1(C)O)C(=O)O 2356543867 URWKCOVDISSFRR-XNFNUYLZSA-N 366.454 2.240 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@H]12 2356672320 FPOVYDMKICRBQA-VQDVGPPSSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)C=CC(=O)[C@](C)(O)C[C@H](OC(=O)CC(C)C)[C@@H]12 2356689797 ZGBPQHPXBVYXCV-FNMUNPMYSA-N 364.438 2.348 30 1 FEEF CC(=O)OCC(C)=CC(=O)C[C@H](CCCC1=CC(=O)OC1)COC(C)=O 2356819307 FBCLJCSTWJKZSQ-INIZCTEOSA-N 366.410 2.288 30 1 FEEF COc1ccc([C@@H]2NC3=C(CCCC3)[C@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1 195414211 HXZAFDZRTPBTFB-PWIZWCRZSA-N 361.405 2.085 30 1 FEEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O 257402674 DBFXNHHIIKEXPP-WRRDILJRSA-N 364.438 2.046 30 1 FEEF endogenous,in-man Cc1ccccc1NC(=O)/C(=N\NC(N)=S)[C@@H](C#N)c1ccccc1 17195631 MXYRZUFEJRHOSX-DJFNHCPNSA-N 351.435 2.430 30 1 FEEF COc1cc([C@@H]2OC[C@]3(O[C@@H]3c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 2356473867 SQDGJDNPFUUZBF-JZOCTASASA-N 374.389 2.305 30 1 FEEF C=C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccc2cccnc12 2356298892 IGNAXEUENHNMHX-XIRDDKMYSA-N 357.479 2.410 30 1 FEEF C=C1CC[C@H]2CCC(=O)[C@@](O)([C@@H](O)C(=O)CC(C)=C[C@H](O)C1)C2(C)C 2356835333 KQXYPHVCFXDYCH-CAQIIQHBSA-N 350.455 2.090 30 1 FEEF C/C(=N\NC(=N)N)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 14975948 NRMWTKWISGLWOP-UDWIEESQSA-N 355.423 2.085 30 1 FEEF C=C(C)[C@@H]1CC=C2C(=O)O[C@@H](CC(C)=CC(=O)[C@H](OC)CC(=O)C1)[C@@H]2O 2356636123 WIWLIEUEOQQPHP-CODKJTEISA-N 362.422 2.065 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C[C@H](O)C[C@]1(C)O[C@@H]21 2356718606 AFTMSDSWKBUAFB-YYXZMQKJSA-N 362.422 2.221 30 1 FEEF N#Cc1ccc(-c2cc(NC(N)=O)c(C(=O)N[C@H]3CCCNC3)s2)cc1 34506214 CGUUQUFVJVXBEZ-ZDUSSCGKSA-N 369.450 2.259 30 1 FEEF N#CCNC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)OCc1ccccc1 82064932 VEZJALGSUJOSPN-KRWDZBQOSA-N 373.359 2.442 30 1 FEEF CCc1c(C)c(C#N)c2nc3ccc(NC(=O)CN(C)C)cc3n2c1O 621431711 YUEHVLXVNAJPMJ-UHFFFAOYSA-N 351.410 2.436 30 1 FEEF CC(=O)O[C@@H]1C[C@H](c2ccccc2)OC2=C1C(=O)C(C)(C)[C@H](O)[C@@]2(C)O 2356404247 ICCZVVDZXBQQBA-ZLFYYGENSA-N 360.406 2.055 30 1 FEEF N#Cc1cnc(-c2nc(CC(=O)NCCc3ccccn3)cs2)c(O)c1 148188802 NPGMDIQJGIQEFW-UHFFFAOYSA-N 365.418 2.079 30 1 FEEF N#Cc1nc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2nc1C#N 587006304 DJTRIKZYQUNIKD-UHFFFAOYSA-N 365.154 2.402 30 1 FEEF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 587234020 VGAWKKPTIOOGBP-VHSXEESVSA-N 353.386 2.257 30 1 FEEF COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c(C#N)cccc32)c(F)c1 169313298 GZWMIPIQOGEGRP-FQEVSTJZSA-N 370.380 2.425 30 1 FEEF CON1C(=O)[C@]2(C[C@H]3N=C([C@@]4(C)O[C@@H]4C)[C@H]4C[C@H]2OC[C@H]43)c2ccccc21 2356418858 YTLNWRIGWUSICE-LREWOYAXSA-N 368.433 2.258 30 1 FEEF Cc1[nH]ncc1-c1ccc(C[C@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 219296993 UAZOLMHPMQIHBG-MKSNKDDYSA-N 367.428 2.216 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@H](C)[C@@H](C)O)/C(C)=C/CC[C@@]1(C)O[C@H]21 40845417 MPNJUHHXWPDZRT-JLDAWXFUSA-N 364.438 2.301 30 1 FEEF C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H]2C[C@@]3([C@H](O)O2)[C@H](C(=O)CO)CC[C@H]13 257526350 QUQBHBRVKLEOEI-ITGZKTJPSA-N 360.450 2.003 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 257412060 DZTWAOVNNLDWNH-SHTAVPNDSA-N 362.422 2.221 30 1 FEEF biogenic C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O 14584809 ZJZYSAJQOPJREK-KADGYIQMSA-N 374.477 2.354 30 1 FEEF endogenous,in-man O=C(N[C@@H](Cc1ccccc1)[C@@H]1CO1)[C@@H]1CCCN1C(=O)c1ccccc1 26719642 QGIWKZQJBHDPSS-UFYCRDLUSA-N 364.445 2.418 30 1 FEEF C=CC[C@@]12C=C(OC)[C@H](O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@H]2O 2356493461 UIDBVRIGTICCQN-UKHPBRIDSA-N 374.433 2.362 30 1 FEEF N#C[C@H]1[C@H](c2ccc(C#CC3CC3)cc2)[C@H](CO)N1C(=O)Cc1ccccn1 95898262 FLQYRXYGAVUNDA-FUDKSRODSA-N 371.440 2.265 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/CO)C[C@@H](OC(=O)CC(C)C)[C@@H]12 238732040 YMHYVSXJGCGNDL-QVJZYPOYSA-N 364.438 2.063 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO 95897868 AINXGCJTFTULJC-AABGKKOBSA-N 372.490 2.230 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C(=O)C=C[C@@](C)(O)[C@@H]21 2356432983 RQPDOHFQRIVDLC-DQKPKNMZSA-N 362.422 2.102 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]12 2356530784 KPDUWXZFODLKCA-YXWSMURKSA-N 364.438 2.062 30 1 FEEF COCC[N+]1=C(C)N(Cc2ccccc2)[C@@H]2C(=O)c3ccccc3C(=O)[C@H]21 1857538505 JGUBIESEFRFNAH-PMACEKPBSA-N 363.437 2.396 30 1 FEEF N#Cc1c(NC(=O)[C@@H]2C/C(=C3\C=CC=CC3=O)NO2)sc2c1CCC2 104008991 MGNOJXMNAJJHCB-HVCHUGMYSA-N 353.403 2.290 30 3 FEEF COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@@H]34)[C@@]2(C)C1=O 2356532749 WJRYKXDCVDXQKS-DDDKHKAHSA-N 374.433 2.429 30 1 FEEF C=C(C)[C@H](O)CC/C(C)=C/[C@H](O)C/C(=C/COC(C)=O)COC(C)=O 238757163 XYDCQTVQGVBJLE-IUNZUYDSSA-N 354.443 2.454 30 1 FEEF C=C[C@@]1(O)C[N@@+]2(C)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 473235025 IZVCYXSDMHNQHO-ZXLYJPRISA-N 355.458 2.433 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H]3C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@H]12)O3 263608635 UEFXHAIMDIUNBV-ZVKSUQICSA-N 362.422 2.221 30 1 FEEF O=C(NCc1ccc(F)cc1)[C@H]1C(=O)N(O)C(=O)c2cc(Cl)ccc21 169349231 MBWANSDGXAMIAB-AWEZNQCLSA-N 362.744 2.251 30 1 FEEF CC(C)C1=C(O)C(=O)C2=C(C=C3OC(=O)[C@]4(C)CC[C@@H](O)C(=C2)[C@H]34)C1=O 2356338050 LIOHNCKMCBYMAR-ASNKJTAVSA-N 356.374 2.061 30 1 FEEF C=C1C(=O)O[C@H]2[C@H](O)[C@H](C)CCC[C@]3(C)O[C@H]3[C@H](OC(=O)/C(C)=C/C)[C@H]12 100780341 ZMXFZZOCUKHAFO-CZTQHQMTSA-N 364.438 2.301 30 1 FEEF endogenous,in-man CC/N=C(\NCC)N/N=C/c1ccc(C[n+]2cn(C)c3ccccc32)cc1 26834365 RKANZTMSBWIEMF-ZVHZXABRSA-N 363.489 2.423 30 1 FEEF CC[C@@H]1C[C@H](C)C(=O)C=CC=CC[C@H](C)OC(=O)C[C@H](O)[C@@H](OC)[C@H]1O 2356632965 VWVDRJWACDDRKD-PFFRMCNGSA-N 368.470 2.183 30 1 FEEF CC/N=C(/NC#N)NCCCCCn1nc(-c2ccccc2)ccc1=O 27213977 CFOMNGPCCCUPSJ-UHFFFAOYSA-N 352.442 2.117 30 1 FEEF O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@H](C(=O)O)[C@H]3O 49045399 SRAOLIZIJYDHTE-HKUYNNGSSA-N 364.309 2.493 30 1 FEEF biogenic Cn1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O 587890485 JCQGFHQLQRRLCY-UHFFFAOYSA-N 366.204 2.136 30 1 FEEF N#Cc1c(N)nc2c(c1-c1cccc(N3C(=O)C=CC3=O)c1)C(=O)CCC2 28872006 AJGVPPOEQLLKOC-UHFFFAOYSA-N 358.357 2.151 30 1 FEEF O=C1C=C[C@]2(O[C@H]3c4c2ccc(O)c4C(=O)C[C@@H]3O)c2cccc(O)c21 2356618681 CUCGWOIZXKTFMJ-BEVDRBHNSA-N 350.326 2.113 30 1 FEEF C=CC(C)(C)c1[nH]c2ccccc2c1[C@H](OC)[C@H]1NC(=O)[C@H](C)NC1=O 2356791797 IYOQFKGLWNJULG-XZJROXQQSA-N 355.438 2.322 30 1 FEEF O=C1Nc2c(cccc2[N+](=O)[O-])C(=O)/C1=N/Nc1cccc([N+](=O)[O-])c1 72175847 DUXXBEKPQRUKAL-AQTBWJFISA-N 355.266 2.106 30 1 FEEF COc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N 587889733 AJPIRZPCZONXCP-UHFFFAOYSA-N 365.220 2.085 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc(N2C(=O)NC(=O)C2=O)cc1 587907776 PSOLCTJROKLNFG-UHFFFAOYSA-N 354.749 2.331 30 1 FEEF O=C1CC[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1C5=O 14679390 GAOSSIYAGPZGKQ-WTGUMLROSA-N 364.309 2.140 30 1 FEEF COc1ccc(C(=O)O/N=C2/CCS(=O)(=O)c3sccc32)cc1 15986964 YGEOTMZIYIVDOT-SSZFMOIBSA-N 351.405 2.495 30 1 FEEF COc1ccc(/C=N\n2c(S)nnc2-c2[nH]nc3c2CCC3)cc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c1cccc(-c2ccn[nH]2)c1)NC(=O)c1ccccc1 43062101 JIJXQXULSIMBGL-IBGZPJMESA-N 373.416 2.058 30 1 FEEF O=C(O)[C@H](CCCS)NS(=O)(=O)c1cccc(C(F)(F)F)c1 84845419 WREJVOFKOYHLDW-JTQLQIEISA-N 357.375 2.147 30 1 FEEF C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3C[C@H](O)[C@@]2(O)[C@@H]1O 238731620 KSAYCDQHYVZYAT-FHXQZXMCSA-N 352.471 2.343 30 1 FEEF Cc1ccc(S(=O)(=O)NN/C=C2\C=C(Br)C=CC2=O)cc1 13125699 PWQZYNQXZXZHRW-PKNBQFBNSA-N 369.240 2.080 30 3 FEEF CCO[C@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(S(N)(=O)=O)cc1 169471018 AVQUFASKLOBGCJ-RXBGNRNISA-N 374.418 2.268 30 1 FEEF C=CCN=C1S/C(=C\N(C)C)C(=O)N1S(=O)(=O)c1ccc(C)cc1 1857622069 RPASYDYGMNPVTN-NRJQLOSLSA-N 365.480 2.204 30 1 FEEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H](O)[C@H]12 2356382627 HLVWSNQLQFQXIU-YTWOZJEVSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@@H](COC(=O)[C@@H](C)CC)[C@]1(O)CCC(=O)[C@@]21C 28637172 IFWDORHLHOVISL-YMXLPOQHSA-N 364.438 2.184 30 1 FEEF CC(=CCO[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]2[C@]1(C)O)C(=O)O 2356543864 URWKCOVDISSFRR-FIYPYCPBSA-N 366.454 2.240 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC[C@](C)(O)C[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356741284 ZOEAECGCSDCUAW-FOSZGBIRSA-N 366.454 2.284 30 1 FEEF C=C1[C@H]2CC[C@@]3(C(=O)C[C@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@H]3C2)[C@@H]1O 59101999 LDYSWDMNYLEUCU-DPFIVCDWSA-N 359.510 2.393 30 1 FEEF biogenic O=C(NCc1ccc(F)cc1)[C@@H]1C(=O)N(O)C(=O)c2cc(Cl)ccc21 169349230 MBWANSDGXAMIAB-CQSZACIVSA-N 362.744 2.251 30 1 FEEF CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](C3=CC(=O)O[C@H]3O)C[C@]12C 2356603650 ISKSLPVHTHRLNJ-YNGBHSAQSA-N 360.406 2.061 30 1 FEEF O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CO1)OCc1ccccc1 40974196 SPKGUWXYBSHFBQ-MSOLQXFVSA-N 354.406 2.039 30 1 FEEF CC(C)C[C@H](NC(=O)c1cccc(Br)c1)C(=O)NCC#N 82065031 UNLLPYIVKNDIER-ZDUSSCGKSA-N 352.232 2.233 30 1 FEEF C=C1CO[C@@H]2/C=C(\C)CC[C@H](O)[C@](C)(O)C/C=C/[C@@](C)(O)CC[C@]12O 238785972 QWQCCBLIKLMUJQ-PJUAZFNDSA-N 352.471 2.002 30 1 FEEF CC(C)c1nn(C)c2c1[C@]1(C=CC(=O)c3nc(C(F)(F)F)[nH]c31)NCC2 962914356 SVVHPPZFKKVKTF-INIZCTEOSA-N 365.359 2.427 30 1 FEEF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO 13520206 XTLSVXWJVRKFIP-RNUIGHNZSA-N 374.477 2.236 30 1 FEEF CC(=O)OC[C@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O 13783123 DUCQSFOKMHSULU-BPQIPLTHSA-N 350.317 2.135 30 1 FEEF CCN(CC)CCCNC1=C(N(C)C(C)=O)C(=O)c2ccccc2C1=O 169341366 BFRXUYUSNFNDHS-UHFFFAOYSA-N 357.454 2.077 30 1 FEEF O=N[C@@H](Cc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NCCS 169727930 CGDLMPPQJOPZRH-JTQLQIEISA-N 362.205 2.081 30 1 FEEF N#Cc1cccc2c1/C(=N/O)C(=O)N2Cc1cc(F)cc2c1OCOC2 43015707 PTMOVIXNXJRXQN-PGMHBOJBSA-N 353.309 2.289 30 1 FEEF N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2N2CC[C@@H](O)C2)cn1 43120797 DJKQLDAFKZSMDQ-GFCCVEGCSA-N 358.789 2.217 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@@H]3O[C@]3(CO)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238748961 YUTJTNWTRUUIQT-PBUZOFJMSA-N 362.422 2.222 30 1 FEEF C[C@@H]1CCC[C@@H]2O[C@H]2COc2ccc(cc2)C[C@@H]2NC(=O)/C(=C\1O)C2=O 238780380 MMJLIEREEJXFMU-QDVGHRNASA-N 357.406 2.075 30 1 FEEF O=[N+]([O-])c1cn2c(n1)OC[C@H](OCC#Cc1ccc(C(F)(F)F)cn1)C2 209534481 KSKNAJBVTZCOGI-GFCCVEGCSA-N 368.271 2.034 30 1 FEEF C=C1CC[C@H]2[C@@]34CCC[C@@]2(C)C(=O)O[C@@H]3O[C@H](C2=C[C@H](O)OC2=O)C[C@@H]14 2356439472 RXXVASHQUFGTFX-ZMLJJZBQSA-N 360.406 2.219 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@@]1(O)CCC(=O)[C@@]21COC(=O)CC(C)C 2356680083 SUDKBMHWMTVRSC-SVMSGLSLSA-N 364.438 2.184 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 95912796 DZTWAOVNNLDWNH-SPARPGOHSA-N 362.422 2.221 30 1 FEEF biogenic,in-vitro CC(C)=CC(=O)C/C(=N\NC(N)=S)C(=O)Nc1ccc(Cl)cc1 17195682 XHPYWPHYGFGTGJ-CPNJWEJPSA-N 352.847 2.393 30 1 FEEF CCN1C(=O)N(CC)[C@@H]2[C@H]1NC(=S)N2/N=C/C=C/c1ccccc1OC 1857754611 MTYNXDRAJLIBDC-BJQQVIIJSA-N 373.482 2.314 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H](O)/C(C)=C\C(=O)/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 106027759 VUURQISRHJCAJY-IBXQEYNZSA-N 360.406 2.189 30 1 FEEF CCC1([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CCN(C(=O)CC(C)(C)C)CC1 67998077 NPAQHAQDGMWMLZ-MUQADHOPSA-N 374.529 2.282 30 1 FEEF CC/C(=N\C[C@@H]1CCCO1)c1c(O)nc(=O)n(-c2ccc(OC)cc2)c1O 1779673511 VWAHBPLYZUPHHU-SPPQWUQUSA-N 373.409 2.030 30 1 FEEF CC(C)Cc1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 13470434 XWYZXIPUSGGJGV-UHFFFAOYSA-N 372.450 2.301 30 1 FEEF C=C1[C@H]2C[C@@]3(C[C@@H]4[C@H]5[C@@]6(C)CC[C@H](O)[C@]5([C@@H]4N(CC)C6)[C@@H]3CC2=O)[C@H]1O 2356505424 DZSDMABPEQWYGR-ITBBZVQLSA-N 357.494 2.000 30 1 FEEF C/C(=N\NC(=N)N)c1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 45284813 WANVPEYYQBHQTO-SRZZPIQSSA-N 370.438 2.176 30 1 FEEF O=[N+]([O-])c1ccc(-n2cc(Cn3cc(/C=N/O)c4cccnc43)nn2)cc1 653717148 RMIBVSULAMNFQQ-UFWORHAWSA-N 363.337 2.382 30 1 FEEF CC#CCOc1ccc(S(=O)(=O)[C@H](C(=O)NO)C2CCCCC2)cc1 13586004 MKEVHBFZBURDHJ-KRWDZBQOSA-N 365.451 2.317 30 1 FEEF CCCCCCCCCCCCO[C@@H]1[C@@H](CO)O[C@H](OC)[C@H](O)[C@H]1O 200313142 ZUMIXTCTCWVMGO-NNIGNNQHSA-N 362.507 2.378 30 1 FEEF CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCC#N)c2n1 4238632 QYCPVRNJNGVZAM-UHFFFAOYSA-N 356.336 2.477 30 1 FEEF C=C1C[C@@]23C[C@H]1CC(=O)[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 2356505551 ILPKURFMXAVTPZ-RCBTUQMVSA-N 362.422 2.111 30 1 FEEF C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 85800191 GWJAUARFGPKLMT-OMJXTEEBSA-N 364.438 2.046 30 1 FEEF in-man C=C1C[C@@H](OC(=O)C2=C[C@H](OC)OC2)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@H]2C[C@@H]12 525914852 XFPZGEOIWPLKLK-UCJPQMSOSA-N 372.417 2.467 30 1 FEEF biogenic COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCO)cc1 104036137 HZYHWZYVKLESPL-FXBHHXAOSA-N 353.374 2.109 30 3 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@@H](O)[C@H]21 2356461086 VGRUTNKBHIPCKO-RZRATATOSA-N 360.406 2.022 30 1 FEEF COC1=C(OC)[C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4[C@]2(CCN3C)CC1=O 238762068 YRYHFXJRUQQCBR-HLLQZAQXSA-N 373.449 2.295 30 1 FEEF CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)C[C@H]2CC(=O)/C3=C/CCNCCC[C@@]321 238763220 RHNSVLZNRRBSJZ-UMRMIEEUSA-N 363.454 2.309 30 1 FEEF C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O 257774413 ZJZYSAJQOPJREK-BYFMPYJUSA-N 374.477 2.354 30 1 FEEF endogenous,in-man C[C@H](CON=C1c2ccccc2-c2ccccc21)C(=O)NS(C)(=O)=O 263620436 FRTXAYQPEDIBAD-GFCCVEGCSA-N 358.419 2.148 30 1 FEEF in-vitro C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)CC(C)C)C(C)=CCC[C@]1(C)O[C@@H]21 2356518484 ROXAJHABJATWNH-LAIFEGOXSA-N 364.438 2.301 30 1 FEEF C=C1C(=O)C=C[C@@]2(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]1O2 40972848 UEENBALCOGSNKE-WEKRUKGFSA-N 358.390 2.205 30 1 FEEF N#Cc1nc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2nc1C#N 587109738 TVLQUUUDPGVREZ-UHFFFAOYSA-N 358.239 2.480 30 1 FEEF COc1ccc(/C(O)=C2/C(=O)C(=O)N[C@H]2c2ccc(OC)cc2OC)cc1 100455407 VFHFXKKQRTXHSR-HMNTXPNISA-N 369.373 2.422 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)CC[C@@](C)(C[C@H](OC[C@H](C)CC)[C@H]12)O3 2356503662 PCHLUXXZPOQAHL-ZJEJLWEZSA-N 366.454 2.096 30 1 FEEF [O-][n+]1onc2ccc(/C=N/N=C/c3ccc(O)c(Br)c3)cc21 40893321 XAKGHVURVHYXGW-GDWCLCACSA-N 361.155 2.382 30 1 FEEF C[C@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 95876984 QJZIHDAGXDAYFK-ZMVGRULKSA-N 368.521 2.053 30 1 FEEF Cc1ccc2c(c1Cl)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 13470476 BNAYALSWOQOGRV-UHFFFAOYSA-N 364.814 2.064 30 1 FEEF CN(C)C1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)cc3)n2)CC1 201781058 UBGWRILMPCGGCS-UHFFFAOYSA-N 370.478 2.335 30 1 FEEF CC(=O)OCC=CC#CC#CC=CC=C[C@H](CCOC(C)=O)OC(C)=O 2356426560 FHMJPDDYIZJLRC-HXUWFJFHSA-N 358.390 2.110 30 1 FEEF Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccccn2)cc1 104004272 APVBYOSIAMEOKX-LRCWUAGVSA-N 352.390 2.193 30 3 FEEF Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C=O)CC(C)C)C(C)C)cc1 27979427 WNGTUUXLXGGYON-WBVHZDCISA-N 368.499 2.028 30 1 FEEF C=C1C(=O)[C@@]23[C@@H](C=C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O 71316534 HKWUUHMJHMFXOL-NDMNZGNNSA-N 374.477 2.415 30 1 FEEF N#Cc1nc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2nc1C#N 587108572 BXFIWSGWWNFSEZ-UHFFFAOYSA-N 358.239 2.480 30 1 FEEF CC(C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@]24O[C@H]2CC[C@@H](C)[C@@]14C)OC(=O)[C@@H]3C 2356735483 BTKGXQJTMYPRGZ-XJPIZUJESA-N 350.411 2.190 30 1 FEEF C[C@@H]1C[C@@H](O)[C@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]41[C@H]2CC[C@H](O)[C@]31CO1 238771687 KWSJNIKIKJXBRT-TYFRCCDZSA-N 362.422 2.011 30 1 FEEF C=C1CO[C@@H]2/C=C(\C)CC[C@H](O)[C@](C)(O)C/C=C\[C@](C)(O)CC[C@]12O 238775414 QWQCCBLIKLMUJQ-QOBQUOOQSA-N 352.471 2.002 30 1 FEEF C[C@]12C(=O)N(N=Cc3ccncc3)CC(=O)N1CCc1c2[nH]c2ccccc12 2356627276 CMPWCCUOARNOJZ-NRFANRHFSA-N 373.416 2.039 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)CC[C@](C)(O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 523041412 ZOEAECGCSDCUAW-VRJOPPQDSA-N 366.454 2.284 30 1 FEEF biogenic O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@@H](C(=O)O)[C@@H]3O 49045395 SRAOLIZIJYDHTE-IEBWSBKVSA-N 364.309 2.493 30 1 FEEF biogenic CCOC(=O)[C@]1(c2cccc(C#N)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962892771 DYRLYVULWUTIJU-FXAWDEMLSA-N 368.364 2.103 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]3(C)C[C@H]12 6031429 MKEUEUUTTBUCBV-DYJGYBKXSA-N 350.411 2.404 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H](O)[C@@H]12 2356528634 BRTAZWLJPFLZAV-DRVJKLOYSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@@H]2CC(CO)=CCCC(COC(=O)[C@H](C)[C@H](C)O)=CC[C@@H]12 2356608276 JTFXNPPZNWSQAJ-WZPWBUNQSA-N 364.438 2.063 30 1 FEEF C=CC(C)(C)c1[nH]c2ccccc2c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biogenic N=C(N/N=C/c1cnc2ccccc2n1)N/N=C/c1cnc2ccccc2n1 653738887 ILKLADJRNVNQEM-ASIDMNOUSA-N 369.392 2.055 30 1 FEEF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)nn1C 587881713 XXAVFJUMJGSDIB-UHFFFAOYSA-N 351.237 2.328 30 1 FEEF CC(C)(C)NC(=O)CN(CCCCCC(=O)NO)C(=O)c1ccccc1 1772571962 KZYYVHBXAACCNT-UHFFFAOYSA-N 363.458 2.109 30 1 FEEF O=C(/C=C/c1ccc(CCNC(=O)c2ccc3nc[nH]c3c2)cc1)NO 1772609559 SZQAXLMTYSULKA-VMPITWQZSA-N 350.378 2.054 30 1 FEEF O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc21)NO 13864281 LGRKPVBTQGGKSY-CRAIPNDOSA-N 354.406 2.250 30 1 FEEF CCN1C(=O)N(CC)[C@@H]2[C@H]1NC(=O)N2/N=C/C=C/c1ccccc1[N+](=O)[O-] 1857640824 SJYUPBYYTUDNBV-GOGPHXLISA-N 372.385 2.049 30 1 FEEF C/C=C(/C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 238778271 CHVCBWJHQLHSFQ-UFSZVJLQSA-N 362.422 2.260 30 1 FEEF CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 95897489 LNTBULLJMFLXLX-PWRODBHTSA-N 366.461 2.300 30 1 FEEF C#Cc1ccc(I)c(Oc2cnc(N)nc2N)c1 168143951 XKGCYBJIGAMMCY-UHFFFAOYSA-N 352.135 2.019 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H]1O[C@@](C)(CCC[C@@H]1C)[C@H]2OC(=O)CC(C)C 2356294806 DTEQAWCMFIXGNE-JSIJNXBUSA-N 366.454 2.381 30 1 FEEF CCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 73296814 IEGRYKCSNXRFCZ-ICBNADEASA-N 362.507 2.114 30 1 FEEF COCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCCC3)O2)nn1 40934125 FRVHEUZCLPYUIV-ZAWLATJESA-N 374.485 2.033 30 1 FEEF CCc1ncnc(N2CCC(CCO)CC2)c1C#Cc1ccc(N)nc1 148899316 YYUGXMIVWRYUSI-UHFFFAOYSA-N 351.454 2.015 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@H]1CO 95871764 RFCFBMFMIPFQOK-GGPKGHCWSA-N 354.381 2.318 30 1 FEEF C#Cc1ccc([C@@H]2C=C(C(=O)NC3CC3)O[C@H](OCCCCO)C2)cc1 13657285 ITIXTZRIQMROAV-XLIONFOSSA-N 355.434 2.450 30 3 FEEF COc1ccc2sc(NC(=O)c3csc(N=C(N)N)n3)nc2c1C 26156897 CSDIYRJMJDYCGZ-UHFFFAOYSA-N 362.440 2.227 30 1 FEEF C=C1C[C@H](c2ccc(NC(=N)N)cc2)[C@H](NC(=O)c2ccccc2)C(=O)O1 34633570 DAGLKJZKVSWYJY-SJORKVTESA-N 364.405 2.335 30 1 FEEF N#Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(Cc2ccccc2)c1=O 49792737 FKHSYBKHYIUVPG-UHFFFAOYSA-N 372.306 2.333 30 1 FEEF C#CCOc1cccc(OCc2ccccc2/C(=N\OC)C(=O)NC)c1 103179271 RGXBJTRVWPSFQT-ZBJSNUHESA-N 352.390 2.374 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(CO)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356497089 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30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@H]3C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 105395600 UEFXHAIMDIUNBV-ILJKJPRHSA-N 362.422 2.221 30 1 FEEF CN1N=C(O[C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@H]2O)[C@@H]2[C@H](C1=O)C2(C)C 27517788 WIZAHEUNRHZDLP-JJXSEGSLSA-N 369.421 2.206 30 1 FEEF C[C@@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1 95876994 QJZIHDAGXDAYFK-OCYFJXFZSA-N 368.521 2.053 30 1 FEEF C[C@H]1CCC(=NNc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 253690169 QZXBQMNTUAHQPZ-QMMMGPOBSA-N 362.773 2.472 30 1 FEEF C=CCN1C(=O)[C@H](CC(=O)N2CCCC2)[C@@]2(C(=O)OCC)CCCC=C12 203466617 GTMINLCUCPPTCQ-YWZLYKJASA-N 360.454 2.261 30 3 FEEF CC=C1CN2CC[C@]34c5cccc(O)c5N(C(C)=O)[C@H]3[C@H](C=O)[C@H]1C[C@@H]24 2356475719 NNNSFAGHABHLPY-BXNWQMNHSA-N 352.434 2.234 30 1 FEEF Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=N)N)c3ccc(C)cc32)cc1 64559744 XCXWOXUBSWGYCV-UFFVCSGVSA-N 369.450 2.312 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H](O)C(C)=CC(=O)C=C(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 299816243 VUURQISRHJCAJY-DSXOFXPPSA-N 360.406 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1 FEEF in-vivo C=C1C(=O)O[C@@H]2/C=C(/CO)[C@]3(O)CC[C@](C)(C[C@H](OC[C@@H](C)CC)[C@@H]12)O3 238762340 PCHLUXXZPOQAHL-APLLAIRMSA-N 366.454 2.096 30 1 FEEF C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O 1857667926 KERGHNYTQVNXGH-LJQANCHMSA-N 351.337 2.347 30 1 FEEF C=CCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26502599 MACFLQMXRAQFTF-OAHLLOKOSA-N 362.451 2.384 30 1 FEEF CC(C)=C[C@@H]1O[C@]23C(=O)C=CC(=O)C2=C[C@@H]2[C@H](CC[C@]2(C)O)[C@@]3(C)C1=O 2356450220 MCGMYKPCCJOWKR-KDTKKPEOSA-N 356.418 2.091 30 1 FEEF CC(=O)OCC(C)=CC(=O)C[C@@H](CCCC1=CC(=O)OC1)COC(C)=O 2356819308 FBCLJCSTWJKZSQ-MRXNPFEDSA-N 366.410 2.288 30 1 FEEF CC(C)Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 28563082 QRFQALWOIUJSKQ-UHFFFAOYSA-N 373.360 2.382 30 1 FEEF C=C1CC[C@H]2[C@@]34CCC[C@@]2(C)C(=O)O[C@@H]3O[C@H](C2=C[C@@H](O)OC2=O)C[C@@H]14 2356439473 RXXVASHQUFGTFX-ZXNKCSPYSA-N 360.406 2.219 30 1 FEEF C#CCN(C)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccccc1 2356775183 IZMBQNJNMSGNBU-SCTDSRPQSA-N 356.539 2.248 30 1 FEEF 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C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1F)[C@H](C(=O)OC)[C@H]1[C@]2(C)C(=O)O[C@@]13CC[C@@H]2O 2356637125 IAIGXJKNILCTLY-XDLLKFSESA-N 364.413 2.173 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@@]1(C)[C@H](O)CC[C@@H](OC)[C@H]21 238750502 DTBOAACTTLIOGS-SJDZAECESA-N 364.438 2.158 30 1 FEEF Cn1cc(-c2ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NO)cc2)cn1 653799339 LUWKRCZUYMVAJP-OAHLLOKOSA-N 360.414 2.028 30 1 FEEF C=C1C(=O)O[C@@H]2CC(CO)=C([C@H](C)CCCO)[C@H](OC(=O)C(C)=CC)[C@@H]12 2356379677 FCDRLRIIZKINNV-ZYUBPSHWSA-N 364.438 2.063 30 1 FEEF CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=Nc1ccccc14)[C@@H]1C[C@H]2[C@H](C=O)[C@@H](C)N13 32297245 GDXJMOGWONJRHL-FYDZTCBWSA-N 350.418 2.252 30 1 FEEF C=CCN1[C@H](C)COc2cc(N3CCSCC3)ccc2S1(=O)=O 96020504 PXUHAAKUXRQNMS-CYBMUJFWSA-N 354.497 2.197 30 3 FEEF Nc1ccc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2n1 587890903 YTJVUZDUTCFRMC-UHFFFAOYSA-N 374.231 2.329 30 1 FEEF C=CCONC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 1857555241 PBYWTBXMWMKPOK-AVMBBCFPSA-N 350.371 2.484 30 1 FEEF CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CC(C)C)[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@]12O 2356578938 KXARZMGWVGLTJB-YAKLFMFLSA-N 362.422 2.102 30 1 FEEF C=C[C@@]1(O)C[N@+]2(C)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 473235022 IZVCYXSDMHNQHO-XZQHUNLGSA-N 355.458 2.433 30 1 FEEF Cc1cc2c(cc1O)[C@H]([C@@H](C=O)c1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)C2 963556510 XJFZGDRVIBZMPJ-XYJFISCASA-N 370.361 2.232 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 103563610 KCUQHLKAVMLGGV-URGRMVLJSA-N 362.422 2.221 30 1 FEEF biogenic,in-vitro C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1C[C@@]12O[C@H]1C(=O)C(CO)=CC2=O 2356817551 DMFJIFKRJZSYLK-GQSXSUEOSA-N 374.477 2.354 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 257783797 ZMXFZZOCUKHAFO-UGQXKYAESA-N 364.438 2.301 30 1 FEEF endogenous,in-man C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399033 HLZATNSZTFNJMS-LJQANCHMSA-N 361.394 2.354 30 1 FEEF Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)cc3)c(F)cc21 1772603815 UTBXZONZJAVPRE-UHFFFAOYSA-N 357.366 2.350 30 1 FEEF NC(N)=N/N=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccn12 29133078 ORDQOXBBVYVPCM-UFWORHAWSA-N 357.761 2.170 30 1 FEEF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@H](O1)[C@](C)(O)CCC2=O 34515389 MMFMKUFASHHEIN-AZRLMQBVSA-N 366.454 2.057 30 1 FEEF C[C@]1(C(=O)NCc2ccccc2)CCC(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 1772574931 FSBBUMUJEQFBRD-BAOGCXAUSA-N 370.365 2.219 30 1 FEEF C=C1CC[C@H]2[C@@]34CCC[C@@]2(C)C(=O)O[C@@H]3O[C@H](C2=CC(=O)O[C@@H]2O)C[C@H]14 2356424655 ZRXPKIJUPUKYSG-UGYGTZKJSA-N 360.406 2.219 30 1 FEEF C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 85800184 PIKIDCPJSQIMHW-FVZOCWSBSA-N 364.438 2.046 30 1 FEEF in-man COc1ccccc1NC(=O)Cn1ccc(-c2ccc(C(=O)NO)s2)n1 40810740 KIWHKCQNNDGYSX-UHFFFAOYSA-N 372.406 2.378 30 1 FEEF CN1N=C(O[C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@H]2O)[C@@H]2[C@@H](C1=O)C2(C)C 100918640 WIZAHEUNRHZDLP-JONQDZQNSA-N 369.421 2.206 30 1 FEEF C=CCNC(=O)[C@H](C(C)C)N(CCCn1ccnc1)C(=O)c1cccnc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c2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 253690163 QZXBQMNTUAHQPZ-MRVPVSSYSA-N 362.773 2.472 30 1 FEEF C=C(C)[C@@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C 257481790 MFJWBSPRMQOETE-UQUOEYKMSA-N 360.450 2.298 30 1 FEEF endogenous,in-man COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1 587231011 LMNNKRWSNRJRJC-GJZGRUSLSA-N 351.410 2.343 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)C=CC(=O)[C@](C)(O)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356727647 ONPQMJRPONUMCY-VUUKVJGUSA-N 362.422 2.268 30 1 FEEF CC(C)(CC(=O)Nc1ccc(F)c(F)c1)NCC(=O)N1CCC[C@H]1C#N 36310869 HJQKWLJGFRSTEK-ZDUSSCGKSA-N 364.396 2.176 30 1 FEEF COc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)c1 82064989 QXNIUHGWTICCJJ-SFHVURJKSA-N 367.405 2.172 30 1 FEEF C=C1[C@H]2CC[C@@]3(C(=O)C[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O 238762560 LDYSWDMNYLEUCU-YEPIRXOJSA-N 359.510 2.393 30 1 FEEF COc1ccc(COc2ccc(-n3cc(C(=O)O)nn3)cc2C#N)cc1 1772604377 VQQSZTPXNYVENF-UHFFFAOYSA-N 350.334 2.425 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 13585431 SNZRAKOFDSGBRF-WYYIAQBKSA-N 358.390 2.039 30 1 FEEF biogenic C[C@H](C(=O)NO)N1CCN(c2cccc(OCc3ccccc3)c2)C1=O 40394569 UAJWEWRZUVMODN-CQSZACIVSA-N 355.394 2.402 30 1 FEEF C[C@@H](O)[C@H](N[C@H]1CCCc2cc(C#Cc3ccccc3)ccc21)C(=O)NO 1772605587 PKNUMYKOJBKHSL-NQERJWCQSA-N 364.445 2.308 30 1 FEEF COCC[N+]1=C(C)N(Cc2ccccc2)[C@H]2C(=O)c3ccccc3C(=O)[C@H]21 1857538507 JGUBIESEFRFNAH-VQTJNVASSA-N 363.437 2.396 30 1 FEEF O=C(Nc1ccc(Br)cc1)C1=C(O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 253637691 XMQHZQOROCXRRA-WISYIIOYSA-N 362.179 2.352 30 1 FEEF N#Cc1cccc(C[C@@H](NC(=O)c2coc(Br)c2)C(=O)O)c1 621431361 RPDBFYZGVWEORZ-GFCCVEGCSA-N 363.167 2.339 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(C(=O)O)nn2)c1 587908926 FJQVQSWNLYWPAJ-UHFFFAOYSA-N 354.753 2.422 30 1 FEEF Cc1noc(CN)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880481 NPPKWESLOQSQEP-UHFFFAOYSA-N 352.221 2.459 30 1 FEEF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC/C(C)=N/O 29337971 KSYXXJYPWDJWFA-RGVLZGJSSA-N 356.854 2.223 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)C(=O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 238782716 TUZUGEUMKBXBJZ-KHOSSXNJSA-N 360.406 2.190 30 1 FEEF biogenic O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc([N+](=O)[O-])cn1 587889183 HENNMKYPNJYZPA-UHFFFAOYSA-N 365.176 2.402 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@@H]3C[C@H]3C(=C)C[C@H](OC(=O)C3=C[C@H](OC)OC3)[C@H]12 2356322111 XFPZGEOIWPLKLK-KCTOORRSSA-N 372.417 2.467 30 1 FEEF C[C@]12C(=O)N(N=Cc3cccnc3)CC(=O)N1CCc1c2[nH]c2ccccc12 2356678993 AXCCCCJTQLZMPF-NRFANRHFSA-N 373.416 2.039 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 34554216 DZTWAOVNNLDWNH-APNTXNRKSA-N 362.422 2.221 30 1 FEEF CCCCCCC[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H]1C[C@@H]2C[C@@H](CC(=O)O2)O1 238748306 JUGNVZAVZDAHMJ-UPGMHYFXSA-N 372.502 2.463 30 1 FEEF COC(=O)[C@@]1(OC)C(OC)=C(OC)C(=O)C1=C(O)C=Cc1ccccc1 2356655487 HCAPVVIPVHMKNC-IBGZPJMESA-N 360.362 2.157 30 1 FEEF CC(=O)c1cccc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c1 40466707 WFPIINAFLDJVCZ-FLEUSOHUSA-N 354.366 2.315 30 1 FEEF CCc1ncnc(N2CCC(COC)CC2)c1C#Cc1ccc(N)nc1 149197998 SZCTZNUTYQSQRU-UHFFFAOYSA-N 351.454 2.279 30 1 FEEF CN(Cc1nc2ccc(C#N)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 586929343 UBNRTQWTUJOHPQ-UHFFFAOYSA-N 351.391 2.127 30 1 FEEF Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H](C)O)[C@H]2c2ccccn2)cc1 104004275 APVBYOSIAMEOKX-AECJAFODSA-N 352.390 2.193 30 3 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 1772640493 DZTWAOVNNLDWNH-VWDWFEEISA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H](O)[C@@H]12 2356382624 HLVWSNQLQFQXIU-DRVJKLOYSA-N 362.422 2.221 30 1 FEEF O=C(NO)c1ccccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 26672842 YTDQNSGULXQVKB-UHFFFAOYSA-N 374.462 2.449 30 1 FEEF CC(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)=C1C(=O)C[C@@H]2[C@@H]1C2(C)C 2356848203 WXEVZMZTHQDYCI-KJWYOANISA-N 360.410 2.098 30 1 FEEF CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(C#N)c3)c2c1 40873759 MXGXXUDJDPPFAZ-UHFFFAOYSA-N 366.402 2.352 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccn2nnnc12 587890648 ANROTHXOFITTQW-UHFFFAOYSA-N 360.204 2.142 30 1 FEEF COCCN(C)c1ncc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cn1 113256878 AVLJFYFLDUFCES-INIZCTEOSA-N 366.465 2.026 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C=C[C@@](C)(C[C@@H](OC(=O)C(C)=CC)[C@H]12)O3 2356466358 BZLSCTYZIPOOPI-DSVUEQLOSA-N 360.406 2.346 30 1 FEEF COc1cccc2c1C(=O)C=C[C@@]21O[C@@H]2c3c1ccc(O)c3C(=O)C[C@@H]2O 2356567014 CQWJYJYKRYUHNR-ONGXBYRLSA-N 364.353 2.416 30 1 FEEF N#CCNC(=O)CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587511961 BCCXXGSBCFNYPT-UHFFFAOYSA-N 367.449 2.005 30 1 FEEF C#CCOc1ccc(OCc2ccccc2/C(=N\OC)C(=O)NC)cc1 103179274 VNCCWZGBIBXNTH-ZBJSNUHESA-N 352.390 2.374 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=CCC[C@]2(C)O[C@H]2[C@H]2OC(=O)C(CO)=C21 2356407520 DHICEKLRVMHWCF-FKKBTLCVSA-N 362.422 2.366 30 1 FEEF COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)cc1 82064910 KIBKCXBYOWIKPN-SFHVURJKSA-N 367.405 2.172 30 1 FEEF COCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2cccc(F)c2)[C@@H]1CO 95667831 CFKAQMWIPNRAAR-CMKODMSKSA-N 354.381 2.318 30 1 FEEF COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3CCC3)nc2)cc1 142362227 XFHSYPFVVYFPSD-HNNXBMFYSA-N 350.422 2.374 30 1 FEEF C=C(C)[C@@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C 257481792 MFJWBSPRMQOETE-ZKMKGQLWSA-N 360.450 2.298 30 1 FEEF endogenous,in-man O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(O)cc2)c2ccccc2c1=O 473169978 PCIBYKRKILQVKS-NVMNQCDNSA-N 365.341 2.465 30 1 FEEF COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 1857559701 VHOLGUPBIVPOIB-GXTWGEPZSA-N 356.336 2.433 30 1 FEEF CCOC[C@H](COc1ccc(NC(=O)CC[S+](C)C)cc1)OC(C)=O 26987529 IMLXTJYQZUHJLK-QGZVFWFLSA-O 370.491 2.240 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1CCC(Cn1cc(CN(C)C)nn1)=CCC[C@@]1(C)O[C@H]21 1857772819 FPJJIHRGNDQZBF-PNYFIKQUSA-N 372.469 2.095 30 1 FEEF N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@H]3CCCCO3)nn2)CC1 95562483 LETHELOXLCIRTK-HUUCEWRRSA-N 357.439 2.392 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=CN2NC=N[C@H]2C=C1 587891260 VUAYDMIZTRVFHV-MRXNPFEDSA-N 361.232 2.284 30 1 FEEF C=CCNC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O 169304700 CARYQVUASOIQOL-UHFFFAOYSA-N 374.443 2.093 30 1 FEEF CN(C)c1ccc(C(=O)NC[C@@H](CNC(=O)CS)c2ccccc2)cc1 28331246 ZELVORJTSARENK-QGZVFWFLSA-N 371.506 2.312 30 1 FEEF CC[C@@H](C(=O)NO)N1Cc2sc(-c3ccccc3)cc2S1(=O)=O 95604406 MCCUBPXKRMEWLF-NSHDSACASA-N 352.437 2.203 30 1 FEEF NC1=CC(=O)c2ccc(-c3[nH]c(CO)cc4c5ccccc5nc3-4)nc2C1=O 101481229 SEYOUNFNRDNKRJ-UHFFFAOYSA-N 370.368 2.444 30 1 FEEF CSC[C@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)NCC#N 621429278 WIJKPDRECJHESC-KRWDZBQOSA-N 353.447 2.455 30 1 FEEF C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)C(=O)N=c1cc[nH][nH]1 1857555658 FLEMUERZJIPKRS-NSHDSACASA-N 354.801 2.495 30 1 FEEF CCCNC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)c1ccc(C#N)cc1 36389093 BPGIXWWZQUENJX-IBGZPJMESA-N 365.433 2.434 30 3 FEEF Cc1ccc(F)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12 82150250 FUJAOAUJTQPIJO-KEBDBYFISA-N 371.397 2.308 30 1 FEEF Nc1nccn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc12 587890509 KGNHWZLBUIXYTB-UHFFFAOYSA-N 374.231 2.329 30 1 FEEF CS(=O)(=O)OC(COc1cccc(C#N)c1)COc1cccc(C#N)c1 2178320275 VFJZUQOZZMSGQV-UHFFFAOYSA-N 372.402 2.233 30 1 FEEF COc1ccc(NC(=O)NOCc2ccc(/C=C/C(=O)NO)cc2)cc1 1857588550 LZFRGGLRIPWNJS-IZZDOVSWSA-N 357.366 2.467 30 1 FEEF N#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)cc1 3956161 JLUMUQBMLUWIHQ-NRFANRHFSA-N 361.449 2.477 30 1 FEEF COC1(C#C[C@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1 7992108 BQIZFVANVXCUDO-FGTMMUONSA-N 350.411 2.158 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@@H](OC(=O)C(=CC)CO)[C@H]12 2356567367 QKLHPFYRHSIPQP-KURKYZTESA-N 360.406 2.190 30 1 FEEF C/C(=N\NC(=S)NNC(=S)Nc1ccc(C#N)cc1)c1ccccn1 13650668 DBDORRYSMNZHCF-RGVLZGJSSA-N 369.479 2.043 30 1 FEEF CN(C)c1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(CCC#N)c2n1 4239089 QYYMAUCYPRLJEW-UHFFFAOYSA-N 354.801 2.487 30 1 FEEF CCc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C(F)(F)F 28704405 UKUAPXUWNVUTGS-YPMHNXCESA-N 353.300 2.041 30 1 FEEF CCOC(=O)C1=C(C)NC(=O)N(CCC#N)[C@@H]1c1cccc([N+](=O)[O-])c1 1772582197 UJZWRUVZABWVRL-OAHLLOKOSA-N 358.354 2.412 30 1 FEEF CSCC/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 28759588 OCPCAXOEJNJPAR-UHFFFAOYSA-N 353.473 2.129 30 1 FEEF C=C1C(=O)[C@@]23[C@@H](C=C[C@H]1[C@H]2O)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O 2356527367 DXZQQHDOMLKRCR-QDBYBAJKSA-N 374.477 2.414 30 1 FEEF C=C(Br)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N 82065233 CYAPACUPVUECTP-ZDUSSCGKSA-N 366.215 2.220 30 1 FEEF CCO[P@](=O)(c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)NO 299812495 MXGYLPKHTGTZKG-SSOJOUAXSA-N 360.350 2.474 30 1 FEEF COC(=O)C/N=C1\NC(=S)N(Cc2ccc(OC)cc2)C12CCCC2 1861978 MJSYRDLCDIAEJW-UHFFFAOYSA-N 361.467 2.270 30 1 FEEF C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C(=C/C(=O)O)C(=O)O 60273342 IMDVHFGRDJPERC-YJCGLWNISA-N 364.438 2.380 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC[C@](C)(O)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356741287 ZOEAECGCSDCUAW-RYNYTHHZSA-N 366.454 2.284 30 1 FEEF C=C1CO[C@@H]2/C=C(\C)CC[C@H](O)[C@](C)(O)C/C=C/[C@](C)(O)CC[C@]12O 238775441 QWQCCBLIKLMUJQ-MSKPCBDLSA-N 352.471 2.002 30 1 FEEF Cc1nnc(C)n1N/C=C1\C=C(Br)C=C(Br)C1=O 104030117 HPAAGIBLAPQEAQ-VMPITWQZSA-N 374.036 2.463 30 3 FEEF CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC=O)C1=O 73129407 PTIGCSWQFPHKFS-FQEVSTJZSA-N 363.417 2.312 30 1 FEEF C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 85800190 GWJAUARFGPKLMT-OIKODGHQSA-N 364.438 2.046 30 1 FEEF in-man N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccc(OCC(=O)O)cc12 202402386 ALPXFNKCBDSSOX-UHFFFAOYSA-N 352.302 2.369 30 1 FEEF CCO[P@@](=O)(c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)NO 299812494 MXGYLPKHTGTZKG-GKVSMKOHSA-N 360.350 2.474 30 1 FEEF C=C1C[C@@H](OC(=O)C2=C[C@H](OC)OC2)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@H]2C[C@H]12 525914855 XFPZGEOIWPLKLK-ZLQHXUNCSA-N 372.417 2.467 30 1 FEEF biogenic CCN1C(=O)N(CC)[C@H]2[C@H]1NC(=O)N2/N=C/C=C/c1ccccc1[N+](=O)[O-] 1857640825 SJYUPBYYTUDNBV-JJWQYKJISA-N 372.385 2.049 30 1 FEEF C=C1C(=O)O[C@@H]2CC(C)=CC(=O)C[C@@H](C)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H]12 1857742759 ZQOKMZFGSMWPTI-KSFQXLQESA-N 362.422 2.268 30 1 FEEF COc1cc(/C=C/C2=N/C(=C3\C=CC=CC3=O)NN2)cc(OC)c1OC 103919162 WLPNEPRFGFYNQJ-ZQTTXZLVSA-N 353.378 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363.822 2.371 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)CC(C)C)[C@@H]12 103268015 JENRVVOVQAIGRV-FVGIVATJSA-N 364.438 2.301 30 1 FEEF CC[C@H](C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@]2(O)[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356550009 AFXFTKGOFINZCJ-SMXQBELNSA-N 362.422 2.102 30 1 FEEF C=CC(C)(C)c1[nH]c2ccccc2c1[C@H](OC)[C@H]1NC(=O)[C@@H](C)NC1=O 2356791795 IYOQFKGLWNJULG-LYRGGWFBSA-N 355.438 2.322 30 1 FEEF N#Cc1n[nH]c2c1CN([C@H]1CCO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 144195060 OJBFOFZZJREKGO-GEWABHDNSA-N 359.380 2.123 30 1 FEEF CC=C(C)C(=O)O[C@@H]1C[C@@H]2O[C@]23C[C@]2(O)OC(=O)C(C)=C2C[C@]3(C)[C@H]1C 2356611410 WATSLMNLAKJSBJ-FSNPHTBRSA-N 362.422 2.404 30 1 FEEF C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 85800047 ABTNJGAZZKYLLD-YPCFBZKNSA-N 362.422 2.111 30 1 FEEF in-man O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]nnc2c1 587889148 VXSGTAZMTNMSPG-UHFFFAOYSA-N 360.204 2.370 30 1 FEEF 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350.334 2.425 30 1 FEEF O=C(Nc1ccc(Br)cc1)C1=C(O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 169344898 XMQHZQOROCXRRA-KKOKHZNYSA-N 362.179 2.352 30 1 FEEF CC=CC#CC#C[C@@H](OC(C)=O)[C@H](C=CCCCOC(C)=O)OC(C)=O 2356428247 CTMZNCBZHMQSHZ-UXHICEINSA-N 360.406 2.332 30 1 FEEF CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C#N)nn3)cccc12 25968276 FZSXUFHWRYAISN-UHFFFAOYSA-N 353.407 2.368 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C=C[C@@](C)(C[C@H](OC(=O)[C@H](C)CC)[C@@H]12)O3 2356605886 UWJROGRZEPMISK-AEGFIFMBSA-N 362.422 2.426 30 1 FEEF N#C[C@@H]1C[C@@H](CO)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 222970727 ZLFQDMWTINJDNH-MQIPJXDCSA-N 357.389 2.338 30 1 FEEF Cc1c(C(N)=O)sc2nc(SC[C@H]3CO3)n(-c3ccccc3)c(=O)c12 98083217 QZFMMAQKWWXRIA-LLVKDONJSA-N 373.459 2.345 30 1 FEEF Nc1ncnn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 587890768 UWQDLWIAZQPZCY-UHFFFAOYSA-N 374.231 2.329 30 1 FEEF Cc1ccc2c(c1)[C@@]1(c3ccsc3CCN1C(N)=O)[C@@H]([N+](=O)[O-])C2=O 962707940 IUNZDIKPLICFKX-RDJZCZTQSA-N 357.391 2.079 30 1 FEEF 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357.366 2.350 30 1 FEEF O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1N=CCc1ccccc1 2356585483 RKFAURMVJJNZPN-HXUWFJFHSA-N 372.428 2.492 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)C=C(C)C)[C@]1(O)CCC(=O)[C@]21C 2356625631 TYAWIPYSWAZYAE-DUSFAAKNSA-N 362.422 2.104 30 1 FEEF COC1=C[C@@]23CC[N+](C)([O-])[C@@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O 15216566 UBUTZAUJMGZCAW-XABNSEFBSA-N 357.406 2.254 30 1 FEEF COCC[N+]1=C(C)N(Cc2ccccc2)[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]21 1857538506 JGUBIESEFRFNAH-UXHICEINSA-N 363.437 2.396 30 1 FEEF C[C@H]1CCC[C@H]2O[C@@H]2COc2ccc(cc2)C[C@H]2NC(=O)C(=C1O)C2=O 1857742480 MMJLIEREEJXFMU-AEAUEXCSSA-N 357.406 2.075 30 1 FEEF CO/N=C(\Cc1ccc(O)c(Br)c1)C(=O)NCCSC 30741098 OTNRKMPLSYGKDL-LFIBNONCSA-N 361.261 2.179 30 1 FEEF N#CCNC(=O)[C@H](Cc1ccccc1F)NC(=O)OCc1ccccc1 82065431 MWLKXURPHHWNGE-KRWDZBQOSA-N 355.369 2.303 30 1 FEEF CO[C@H]1C2=[N+]3CCc4c[nH]c5c(O)c6c(c3c45)[C@]13C[C@@H](N6)SC3=CC2=O 169723192 RDAXSEZPGOOZML-WQZPPZBRSA-O 366.422 2.136 30 1 FEEF C=C1C[C@@]23C[C@H]1CC(=O)[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 2356505553 ILPKURFMXAVTPZ-YDHVMMLESA-N 362.422 2.111 30 1 FEEF COc1cc2c(cc1OC)C(c1ccc(C#N)cc1)=NN(C(C)=O)C(=O)C2 28255416 CEOAOBDNGOZLCF-UHFFFAOYSA-N 363.373 2.259 30 1 FEEF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2 85849327 IGDIDZAQDRAJRB-BDPHEOEISA-N 350.411 2.154 30 1 FEEF in-man C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(\C)[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@H](O)[C@@H]12 169361416 BRTAZWLJPFLZAV-KYPMZJNLSA-N 362.422 2.221 30 1 FEEF CC(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1 28701862 BDZNNVUFCZJWCJ-CQSZACIVSA-N 352.435 2.435 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)[C@H](C)CC)C(C)=CCC[C@]1(C)O[C@H]21 2356541135 OVQGHLVSAXKUJP-DCONZYFNSA-N 364.438 2.301 30 1 FEEF C=C[C@]1(C)C=C(C(=O)O)[C@]2(CC1)OC(=O)[C@@H]1[C@](C)(CO)CC[C@H](O)[C@@]12C 2356627291 CWLQKGVWECQEPJ-XTUUMGGZSA-N 364.438 2.055 30 1 FEEF CC(C)N1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@H]1CCO 36385799 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O=S(=O)(/N=C(\O)Nc1nncs1)n1c(=S)sc2ccccc21 1657918 WJABXMXBAAXJQD-UHFFFAOYSA-N 373.466 2.403 30 1 FEEF C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100776685 ABTNJGAZZKYLLD-KMCKIRDCSA-N 362.422 2.111 30 1 FEEF endogenous,in-man O=S1(=O)Nc2ccc(F)c(F)c2[C@](C#CC2CC2)(C(F)(F)F)N1 29560631 XFLTZZDQDDBAMD-GFCCVEGCSA-N 352.284 2.396 30 1 FEEF C=C1C(=O)C=C[C@@]2(C)C[C@H](OC(=O)C(C)=CC)[C@H]3C(=C)C(=O)O[C@H]3[C@H]1O2 2356696320 UEENBALCOGSNKE-PHSQPZKOSA-N 358.390 2.205 30 1 FEEF C=CCN(C)C[C@H]1O[C@H](CN[C@H](C=O)Cc2cnc[nH]2)C[C@H]2CCCC[C@H]12 1911570481 JNWHGARTELWOGE-SDZDHKAXSA-N 374.529 2.191 30 1 FEEF CC(=O)OC/C=C/C#CC#C/C=C/CC[C@@H](CCOC(C)=O)OC(C)=O 238769837 SXVKCJNWXQMFNP-QMCWNWTHSA-N 360.406 2.334 30 1 FEEF CCOC(=O)c1cn(CCCCCCCCCOS(C)(=O)=O)nn1 473136267 OYWIFTFXIUJAJV-UHFFFAOYSA-N 361.464 2.162 30 1 FEEF NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)co1 587888140 GVQQYGKVTSOPBN-UHFFFAOYSA-N 351.189 2.396 30 1 FEEF CC1=C[C@@]2(C=C(Br)C1=O)N[C@H](C(=O)O)Cc1cc(F)ccc12 962923332 QMBODMUOWWBTIT-BBRMVZONSA-N 366.186 2.428 30 1 FEEF CCOC(=O)/C(=N/Nc1sc2c(c1C(=O)OCC)CCC2)C(C)=O 1857760792 OEWKMIYZOHVLJY-GHRIWEEISA-N 352.412 2.334 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=O)C=C(C(C)C)[C@]1(O)C[C@H](O)[C@H]2C 2356323228 ANGFDUTVANEGPQ-JZUQGBFHSA-N 364.482 2.004 30 1 FEEF C=C1CC[C@H]2CCC(=O)[C@@](O)([C@H](O)C(=O)CC(C)=C[C@H](O)C1)C2(C)C 2356835334 KQXYPHVCFXDYCH-QHDJUILOSA-N 350.455 2.090 30 1 FEEF C=C(C)[C@H](O)COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O 14814371 BKCGNJDWDKBYRH-MRXNPFEDSA-N 354.358 2.497 30 1 FEEF biogenic C=C1NC(=O)C(C#Cc2cc(Cl)ccc2OC)=CN1Cc1nc(C)no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c2ccc(C#CCC3CCCC3)cc2)[C@@H]1C#N 95898122 FOQJOAXBJHEYGA-TUNNFDKTSA-N 366.461 2.444 30 1 FEEF C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 257374059 ABTNJGAZZKYLLD-YNIVQIMISA-N 362.422 2.111 30 1 FEEF endogenous,in-man C=C1NN(C)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc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c1cc(Br)c(F)cc12 587773448 YUNVTDOVISWZQI-AYVTZFPOSA-N 354.223 2.198 30 1 FEEF N#CC1(c2ccccc2)CCN(c2ccc(-c3nc(CO)no3)nn2)CC1 1772618624 PIJPVFQPQJPMBA-UHFFFAOYSA-N 362.393 2.081 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@]2(O)[C@@H]2OC(=O)[C@H](C)[C@H]12 2356407801 LEDWNNAHTKTAEH-PYMGOFIGSA-N 360.406 2.022 30 1 FEEF CN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C 28384394 WEXQBXKYKJRFSG-UHFFFAOYSA-N 369.162 2.340 30 1 FEEF CC1=CC(=O)[C@H]2[C@]3(CCC[C@@]2(C)C(=O)O)C(=O)O[C@@H](c2ccoc2)C[C@@]13O 2356476071 ZRYAAYNBOQSVBG-UYUBTLJZSA-N 374.389 2.405 30 1 FEEF CC1(C)[C@H](O)CC[C@]2(C)[C@H](CC=C3C(=O)OC[C@@H]3O)[C@]3(CC[C@@H]12)CO3 2356535245 RAQQINDVFHKETO-RDOJUESESA-N 350.455 2.203 30 1 FEEF CCCCCCCC1=C(CO)[C@H](O)[C@@H]2O[C@@]2(CC=C(C)C(=O)O)C1=O 2356561934 MNHSQSKPLNKVHR-IEZWGBDMSA-N 352.427 2.138 30 1 FEEF C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 85800049 ABTNJGAZZKYLLD-XSUTVMHDSA-N 362.422 2.111 30 1 FEEF in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@H](C(=O)O)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]31C=O 257621168 XIYAYYIGCSWTQO-NKNTXSAMSA-N 362.422 2.111 30 1 FEEF endogenous,in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 257402675 DBFXNHHIIKEXPP-XYFMEEIXSA-N 364.438 2.046 30 1 FEEF endogenous,in-man Cc1nnc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn12 587891209 SSNFGUDUNGWVJP-UHFFFAOYSA-N 374.231 2.450 30 1 FEEF C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccnc2)CC1)c1ccccc1 13729223 SDBWUNQKMGBEBA-YLJYHZDGSA-N 363.465 2.141 30 1 FEEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 101146560 VNCQCPQAMDQEBY-FOEUPKGWSA-N 362.422 2.255 30 1 FEEF endogenous,in-man CCCCCCOc1ccc(COC2=C(O)O[C@H]([C@@H](O)CO)C2=O)cc1 101350513 ZLIAMYFYUMZXDC-DOTOQJQBSA-N 366.410 2.211 30 1 FEEF CC(C)(C)[C@H](NC(=O)C[C@@H](N)C(=O)N1CCC[C@H]1C#N)c1ccccc1 38321519 MDZKYXKTFWHKLJ-LZLYRXPVSA-N 356.470 2.122 30 1 FEEF Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1CO 587887474 OMYDHDRSQYPVOS-UHFFFAOYSA-N 364.232 2.173 30 1 FEEF C=CCN=c1[nH]c(=NC(=O)Nc2ccc(Br)cc2)[nH]s1 1857602205 JYTHDZIAUBWXAL-UHFFFAOYSA-N 354.233 2.386 30 1 FEEF Cc1ccc(S(=O)(=O)n2cc(/C=N\NC(N)=S)c3ccccc32)cc1 33519080 YSTUFEDYDLUXPM-GRSHGNNSSA-N 372.475 2.354 30 1 FEEF N/C(=N\N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1ccncc1 28568596 CATLRYQKLWSFLP-REZTVBANSA-N 364.159 2.197 30 1 FEEF NCCCCNCCCNC1=CC(=O)c2cc3ccccc3cc2C1=O 101654260 GSOLSRSZCPOZFV-UHFFFAOYSA-N 351.450 2.411 30 1 FEEF C=C1C[C@@]23C[C@H]1CC(=O)[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 2356505552 ILPKURFMXAVTPZ-UFXZDWMXSA-N 362.422 2.111 30 1 FEEF Cn1nccc1C(=O)N[C@H](c1cn(C2(C#N)CC2)nn1)C1CCCCC1 95563745 KETVIBJKZJPWFG-INIZCTEOSA-N 353.430 2.076 30 1 FEEF C=C1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@@]1(C)[C@H](C[C@@H]3O)[C@@](C)(C(=O)OC)CC[C@H]1O 2356339603 QRZRYFAMPKMZQR-FELKYUBFSA-N 362.466 2.249 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H](O)CC(=O)[C@@]3(COC(=O)CC(C)C)C[C@H]12 2356386870 ZCBGWTXYDVFNMY-AXJXTXNSSA-N 364.438 2.040 30 1 FEEF CC(C)(C)N1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O 28120320 NYNUGSDRGOYXKP-SFHVURJKSA-N 356.403 2.156 30 1 FEEF O=C1C=C2O[C@@]3(O)C[C@H](O)c4c(O)cccc4C3=C2c2cccc(O)c21 13369001 XZSXKBHGZJIDBP-XOBRGWDASA-N 350.326 2.245 30 1 FEEF biogenic Cc1cc(C#N)c(F)cc1-c1c(C(=O)NC2CC2)nn2c1OC[C@H](F)C2 1857644953 CICKNGAWODWCEX-LLVKDONJSA-N 358.348 2.492 30 1 FEEF COC(=O)C/N=C/c1c(O)n(-c2ccc(Cl)cn2)c(=O)c2ccccc12 198829496 RMNXIHVXTFTZTA-AWQFTUOYSA-N 371.780 2.337 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1CO 95871765 RFCFBMFMIPFQOK-HBFSDRIKSA-N 354.381 2.318 30 1 FEEF C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@H](C)O3)[C@H]12 523041891 WBIAXVPYFSCEHZ-FIXURXDZSA-N 374.433 2.077 30 1 FEEF biogenic COc1ccc(CS(=O)(=O)[C@](C)(Cc2ccccc2)C(=O)NO)cc1 13520932 WJPFHUMULGZBAI-GOSISDBHSA-N 363.435 2.117 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@](C)(O)CC)C(C)=CCC[C@@]1(C)O[C@H]21 253668594 QFUNFKDZAWYCRV-HXXCKNJQSA-N 364.438 2.445 30 1 FEEF C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(N(C)C)cc1)C(=O)O 1892774 HLSVAMGQMKPXOP-RISCZKNCSA-N 356.513 2.121 30 1 FEEF in-vivo COC[C@@H](C)Nc1ncc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cn1 142359683 WKVLWMBDDGEHPY-JKSUJKDBSA-N 366.465 2.390 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12 238749494 DZTWAOVNNLDWNH-LVQDVTJJSA-N 362.422 2.221 30 1 FEEF C#CCOc1cccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)c1 1772656185 HYHHECXOMWGGQB-UHFFFAOYSA-N 357.373 2.141 30 1 FEEF C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O 14584807 ZJZYSAJQOPJREK-RYFFXXKESA-N 374.477 2.354 30 1 FEEF endogenous,in-man Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c([C@H]3C=CC(=O)C(=O)C3)c12 169691896 PUBOKMCVMUTDEI-LBPRGKRZSA-N 357.373 2.365 30 1 FEEF C=C1[C@H]2C[C@@H](OC(C)=O)[C@@H](C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@H]1OC(C)=O 2356422300 LJYLKGAKLSAVRU-JRBLHVBSSA-N 350.411 2.260 30 1 FEEF COc1ccccc1-c1nnc2n1N/C(=C1\C=CC(=O)C(O)=C1)CS2 100427338 YGLTWVYETOWWJL-ZRDIBKRKSA-N 354.391 2.438 30 3 FEEF Cc1ccc2occ(/C=N/Cc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 28524260 QVCVIBPFAGHIDX-KEBDBYFISA-N 356.403 2.368 30 1 FEEF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)Cc1ccccc1 13735590 LWLBPGZDXISQPZ-RDJZCZTQSA-N 359.447 2.293 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CO)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356394947 JTQHAHIJRVLYPJ-ARYPMIFLSA-N 364.438 2.062 30 1 FEEF O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@H](O)[C@@H]2O[C@@H]32)c2cccc(O)c21 2356785334 ABQWPANFECMPDF-PNJYFFOVSA-N 352.342 2.203 30 1 FEEF CN=C1NCC#C[C@H]2C[C@@H](C)[C@@]34CCC(C(=O)O)=C3C[C@H]2[C@]42CCCN1C2 2356851411 QHIFVSOCOHHZMV-ZJDUZLJUSA-N 367.493 2.498 30 1 FEEF CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(C#Cc3ccccn3)cc2)[C@H]1CO 1772609305 DCWTWOMSTIKQOM-NJYVYQBISA-N 374.444 2.253 30 1 FEEF CN(Cc1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)c(C#N)cc2c1 27183315 SNPSRURLEPREOH-SFHVURJKSA-N 363.417 2.271 30 1 FEEF C=C1C[C@@H](c2ccc(NC(=N)N)cc2)[C@H](NC(=O)c2ccccc2)C(=O)O1 34633571 DAGLKJZKVSWYJY-IRXDYDNUSA-N 364.405 2.335 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)C(=O)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 169354300 QZRJGJCGCXCSOM-CPSDHQAPSA-N 360.406 2.429 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356397232 JRVXBSMCUQHDNS-ATPZPORPSA-N 364.438 2.060 30 1 FEEF C[C@@H](C(=O)NO)N1CCCN(c2ccc(OCc3ccccn3)cc2)C1=O 40378979 CXGYASCJPNLMRT-AWEZNQCLSA-N 370.409 2.187 30 1 FEEF COc1cc(NN=C2CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc(OC)c1 253634637 HZOFFLLTBFASCA-JTQLQIEISA-N 372.381 2.130 30 1 FEEF C=C1[C@H]2CC[C@@]3(C(=O)C[C@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]3C2)[C@@H]1O 59102003 LDYSWDMNYLEUCU-CCXLZGIPSA-N 359.510 2.393 30 1 FEEF biogenic COC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2N2CCN(C)CC2)C[C@@H]1C 1857767767 MJZHDBFTZPSXIU-LIRRHRJNSA-N 357.454 2.132 30 1 FEEF C=CCNC(=O)CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1C)C2 4374694 QIFPWJRVOITWQA-AYHJJNSGSA-N 355.482 2.413 30 1 FEEF CC(C)(C)[C@H]1CS(=O)(=O)[C@@](C)(c2ccc(C#N)cc2)S(=O)(=O)C1 101450460 MGTVULONPCDLHC-KOMQPUFPSA-N 355.481 2.236 30 1 FEEF COC(=O)[C@H]1C(=O)C=C(Nc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C 40943652 JIUQPMBNVLJRAC-KPZWWZAWSA-N 362.401 2.356 30 1 FEEF COC(=O)CCCNC(=O)CSC1=C(C)C(=O)c2ccccc2C1=O 299839392 RDOJFVOMWVPOFM-UHFFFAOYSA-N 361.419 2.142 30 1 FEEF COC(=O)c1cccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)n1 587650985 KDMYPFDTRXIAAD-UHFFFAOYSA-N 355.375 2.292 30 1 FEEF C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100776689 ABTNJGAZZKYLLD-JJDQNSNLSA-N 362.422 2.111 30 1 FEEF endogenous,in-man C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H]2C[C@]3([C@@H](O)O2)[C@@H](C(=O)CO)CC[C@@H]13 118926475 QUQBHBRVKLEOEI-GEIRWKIWSA-N 360.450 2.003 30 1 FEEF COCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2cccc(OC)c2)[C@@H]1CO 95667809 SUFCUMOIBOTACO-IRFCIJBXSA-N 366.417 2.187 30 1 FEEF C=C(C(=O)O)[C@@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@@](C)(O)[C@@H]2C[C@H](O)C(C)=C[C@@H]12 299867900 QROQJNPHSNLRNE-RUFIAVITSA-N 364.438 2.219 30 1 FEEF COc1c(C(=O)C2=CN3C=CNC=C3N=C2)c(O)c(OC)c2occc12 40395681 AVJZHAKOPXKHKX-UHFFFAOYSA-N 353.334 2.482 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C[C@@]1(C)O[C@@H]1CC[C@@]1(C)O[C@H]21 238756969 POQGONFMEJCHNG-QLALSMDJSA-N 362.422 2.461 30 1 FEEF O=C(Nc1ccc(S(=O)(=O)O)cc1)[C@H](CS)Cc1cccnc1 13449884 UJAQWYXVAACBLX-LBPRGKRZSA-N 352.437 2.056 30 1 FEEF C=CCN1C(=O)[C@@H](CC(=O)N2CCCC2)[C@]2(C(=O)OC)CCCCC=C12 203469323 FCDVQTGPCIUDCM-FOIQADDNSA-N 360.454 2.261 30 3 FEEF N#Cc1ccc(CCOc2cc(N3CCOCC3)sc2C(N)=O)cc1 1857758427 QMKSFECBFZJFGV-UHFFFAOYSA-N 357.435 2.177 30 1 FEEF CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(Br)cc2)[C@H]1CO 1772645850 QZVGSCCNUDNWJC-MCIONIFRSA-N 352.232 2.221 30 1 FEEF C#CCOc1ccc2cc(Cn3ccc(=O)c(O)c3CC)c(=O)oc2c1 1857544022 YKGGDKVVKRRAMR-UHFFFAOYSA-N 351.358 2.283 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H](O)[C@H]12 2356528635 BRTAZWLJPFLZAV-TXJWRWGXSA-N 362.422 2.221 30 1 FEEF C=CC[C@@]12C[C@H](OC)C(=O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@H]2O 2356689808 ZNGCYIWYDPGZIU-OVGISFDRSA-N 374.433 2.445 30 1 FEEF C=C(CC/C=C(\CO)CC/C=C(\C)CO)C(=O)CC/C(=C\CO)CO 238750032 VBQKVUSLNVUYDS-YCKKRHCLSA-N 352.471 2.221 30 1 FEEF C#CCNC(=O)CNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1 200212728 XFWULDMEXGVOSI-UHFFFAOYSA-N 363.442 2.371 30 1 FEEF CSC1=N[C@@H]2[C@@H](N(C)C(=O)N2C)N1/N=C/C=C/c1ccccc1[N+](=O)[O-] 1857761557 MZBVODQTLZDIGS-TZVVFMLFSA-N 374.426 2.278 30 1 FEEF N#Cc1ccc(CN2CC3(CCN(C(=O)c4csnn4)CC3)C2)cc1 3956340 BWQFKJJIZNJTKK-UHFFFAOYSA-N 353.451 2.148 30 1 FEEF CCc1cc(C#N)cc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 26152946 QNWZBRJNOYKOPU-UHFFFAOYSA-N 371.451 2.344 30 1 FEEF C=C(C)[C@@H]1CC=C2C(=O)O[C@@H](CC(C)=CC(=O)[C@@H](OC)CC(=O)C1)[C@H]2O 2356636124 WIWLIEUEOQQPHP-RPTUDFQQSA-N 362.422 2.065 30 1 FEEF C#CCN(C)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccccc1 2356775180 IZMBQNJNMSGNBU-LNLFQRSKSA-N 356.539 2.248 30 1 FEEF C=CC[C@@]12C=C(O)C(=O)[C@@](OC)([C@H]1O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 685935773 TXEDTYYHGZODBU-KBEVKJOQSA-N 358.390 2.482 30 1 FEEF biogenic,in-vitro CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C[C@H]2CC(=O)C3=CCCNCCC[C@@]321 2356399267 RHNSVLZNRRBSJZ-XLNTUCKNSA-N 363.454 2.309 30 1 FEEF CC(C)CC/N=C(\O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(=O)[nH]c2c1 2952632 AXAGOKRWNJKCNP-CQSZACIVSA-N 359.426 2.220 30 1 FEEF CC(=O)OCC[C@H](/C=C/C=C/C#CC#C/C=C/CO)OC(=O)C=C(C)C 14722400 CQDVFBMTEZFKKY-YRKHIWAJSA-N 356.418 2.485 30 1 FEEF NC(=O)c1ccc[n+](CCCCCCCC[n+]2ccc(/C=N/O)cc2)c1 28572412 DCZROGRLYCNJFT-UHFFFAOYSA-P 356.470 2.209 30 1 FEEF C=C(C)[C@@H]1C(=O)C(O)=C(C)C(=O)[C@H](O)[C@H](C(=C)C)CCC2=C[C@H]1OC2=O 2356463239 TYUXEIYWRBFXFZ-JTOWHCCKSA-N 360.406 2.348 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C(=O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 2356487169 QZRJGJCGCXCSOM-ITNJMCAHSA-N 360.406 2.429 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)C[C@]3(C)CO3)[C@@H]12 2356628395 RFEARFCDESDICQ-GIYWUFHFSA-N 362.422 2.222 30 1 FEEF CCCNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1ccc(C#N)cc1 36389089 WSVDOKHXPZCPGO-IBGZPJMESA-N 365.433 2.434 30 3 FEEF C=CCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)[C@H](C)CN2 82211485 NCYIDQXJGODSAV-CYBMUJFWSA-N 356.426 2.193 30 1 FEEF O=C(O)[C@@H](CCCS)NS(=O)(=O)c1cccc(C(F)(F)F)c1 84845421 WREJVOFKOYHLDW-SNVBAGLBSA-N 357.375 2.147 30 1 FEEF C=CCN1C(=O)S[C@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)C1=O 587039408 RNSVPTITIXUXCU-OAHLLOKOSA-N 374.466 2.296 30 1 FEEF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(S)[C@H](C2)N(CC2CC2)CC[C@]314 100818944 LITLSYHRBYLFFK-HVXNZKGKSA-N 357.475 2.031 30 1 FEEF C=C1C[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)[C@@H](O)[C@@H]1O 2356514235 BABPDNOTIHMCNF-CHZZJNJQSA-N 354.487 2.429 30 1 FEEF C=C1CC[C@H]2CC(=O)C[C@@](O)([C@@H](O)C(=O)CC(C)=C[C@H](O)C1)C2(C)C 2356808375 YSOPNJRJNILGIN-CAQIIQHBSA-N 350.455 2.090 30 1 FEEF COC1=C(OC)[C@@]23CCc4cc(OC)c(OC)cc4[C@@]2(CCN3)CC1=O 14688929 KZQZFTIBTGHKGT-UXHICEINSA-N 359.422 2.097 30 1 FEEF biogenic CC(C)N/C(O)=N/S(=O)(=O)c1ccc(OCCCN2CCCC2)cc1 84597200 BTZSFZZGLMFUGU-UHFFFAOYSA-N 369.487 2.152 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CCC3CCCC3)cc2)[C@H]1CO 95898121 FOQJOAXBJHEYGA-KCZVDYSFSA-N 366.461 2.444 30 1 FEEF C=CCNC(=S)N1C[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C1=O 95597127 ZFBCXFCADMZSRS-ZBFHGGJFSA-N 360.479 2.460 30 1 FEEF C[C@]1(C(=O)NC2CCCCC2)CCC(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 1772624181 WUIUXGJROWLTKS-AUUUKSDWSA-N 362.386 2.352 30 1 FEEF N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCCCCC2)o1 169727027 ZYXGFUNFZUUBPI-UHFFFAOYSA-N 368.485 2.123 30 1 FEEF C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100781439 VNCQCPQAMDQEBY-SWTLLTDLSA-N 362.422 2.255 30 1 FEEF endogenous,in-man C=C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccc2cccnc12 2356298891 IGNAXEUENHNMHX-PVAVHDDUSA-N 357.479 2.410 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)C=CC(=O)[C@](C)(O)C[C@H](OC(=O)CC(C)C)[C@H]12 2356689800 ZGBPQHPXBVYXCV-YRPZPVKKSA-N 364.438 2.348 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cc(S(C)(=O)=O)ccc1NN 587917514 LQIVTJKFSXXLBC-UHFFFAOYSA-N 350.827 2.438 30 1 FEEF C=C(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O)(O2)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 13585383 MIGDGMYQXYALEW-QNIDSSLUSA-N 350.411 2.260 30 1 FEEF CCN1C(=O)N(CC)[C@H]2NC(=S)N(/N=C/C=C/c3ccccc3OC)[C@@H]21 1857754614 MTYNXDRAJLIBDC-YIJLTCEBSA-N 373.482 2.314 30 1 FEEF C=C[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1C(=COC)C(=O)O 2356613826 ZGSZUQKKUBVUPV-PYYSJVIDSA-N 368.433 2.388 30 1 FEEF O=C(CCCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NO 73137918 SOEPJINWSIAPMQ-UHFFFAOYSA-N 360.863 2.416 30 1 FEEF Cc1cc(-c2ccc(C[C@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)n[nH]1 219319666 YMEVOHYXZCAVCL-MKSNKDDYSA-N 367.428 2.216 30 1 FEEF N/C(=N\O)c1ccc(-c2ncc(-c3ccc(/C(N)=N\O)nc3)s2)cc1 49783965 FTPGYDVXWLKWEI-UHFFFAOYSA-N 354.395 2.061 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 85676667 DZTWAOVNNLDWNH-ZBLGBIIYSA-N 362.422 2.221 30 1 FEEF in-man COC1=Cc2c(OC)c3nccc4cc(OC)c(OC)c(c2=CC1=O)c43 238745894 BCNOWYWIPHIQNE-UHFFFAOYSA-N 351.358 2.483 30 1 FEEF C[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 13437594 IJJYXVOSNQSZOF-YJBOKZPZSA-N 354.406 2.228 30 1 FEEF Cc1ccc(Oc2ccc(N(CC(=O)NO)S(C)(=O)=O)cc2)cc1 29128198 VOASHVXIDJYPJH-UHFFFAOYSA-N 350.396 2.059 30 1 FEEF COc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccccc32)cc1 89454967 OQOBDZXJFYQVAP-XDOYNYLZSA-N 365.433 2.495 30 1 FEEF N#CC[C@]1(c2cccc3c2OCCO3)NCCc2c(C(=O)O)cccc21 963131873 PCSXTPQQLYWXAU-FQEVSTJZSA-N 350.374 2.459 30 1 FEEF COc1ccc(/C=N/NC(=S)NC2CCCCC2)c(C(=O)O)c1O 28705974 XABKUASVQFRBBD-RQZCQDPDSA-N 351.428 2.230 30 1 FEEF C[C@H](O)[C@H](C)C=CC=CC(=O)O[C@@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@@H]1C 2356688921 RBEFOYGHZLZHIA-MSHZMWCUSA-N 360.450 2.500 30 1 FEEF N#CCNC(=O)[C@@H](Cc1cccc(-c2ccn[nH]2)c1)NC(=O)c1ccccc1 43062104 JIJXQXULSIMBGL-LJQANCHMSA-N 373.416 2.058 30 1 FEEF C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5([C@@H]6CC[C@@]4(C)[C@@H](O6)N(CC)[C@H]15)[C@@H]3C[C@@H]2O 255271625 ULFMQUVPNJZNKM-OOEZZYCMSA-N 357.494 2.156 30 1 FEEF NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1 587889581 OJBGFNMUXZEXGA-UHFFFAOYSA-N 362.216 2.198 30 1 FEEF CC1CCC(NS(=O)(=O)Cc2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 586952031 ARXACBPEILUYDG-UHFFFAOYSA-N 357.439 2.304 30 1 FEEF C=C1CC[C@]2(O)[C@H](C=C(C)CC[C@@H]3O[C@]3(C)CC[C@@H]1O)OC[C@@]2(C)O 2356458333 LOGRWOULYJPNGD-KYRVCDIISA-N 352.471 2.242 30 1 FEEF CC(C)=CCC(=O)[C@]1(O)C(O)=C(C(=O)C(C)C)C(=O)[C@]1(O)CC=C(C)C 2356736623 BKPHLWHAKWWBPZ-UXHICEINSA-N 364.438 2.350 30 1 FEEF COC(=O)[C@@H]1[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@]1(CN2C)O[C@@H]1C 2356746510 BRWYCRLKASLULK-LWGIYZKESA-N 368.433 2.174 30 1 FEEF Cc1nn(C)c(N)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881468 MODBHVPEIIOYSW-UHFFFAOYSA-N 351.237 2.328 30 1 FEEF COC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587599326 FKGWHYIXQMSDMB-ORAYPTAESA-N 354.314 2.180 30 1 FEEF O=C1c2ccc(O)cc2O[C@]2(COC(CO)=CC2=O)[C@@H]1c1ccc(F)cc1 587356061 HTGTZRBBISAJJH-QUCCMNQESA-N 370.332 2.105 30 1 FEEF CC1=CC(=O)O[C@H](C=C(C)[C@H](O)C[C@@H](O)[C@@H](C)C2=CC(=O)C(C)(C)O2)C1 2356397305 AHEIFTPGTZGXOJ-QKPAOTATSA-N 364.438 2.204 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=CCC[C@]2(C)O[C@@H]2[C@H]2OC(=O)C(CO)=C21 2356407519 DHICEKLRVMHWCF-ASKNOMKYSA-N 362.422 2.366 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)[C@H](O)C[C@H](C)[C@@H](OC(=O)C(C)=CC)C[C@@H]12 2356550375 DXRCWAWYBNLZLH-NJTXGDHASA-N 364.438 2.060 30 1 FEEF CC=C(C)C(=O)O[C@@H]1[C@]2(C)C=CC(=O)C2=C(C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 2356601283 QQMLUOLOVQRXBR-VXQVJVCESA-N 358.390 2.388 30 1 FEEF COc1cccc2c1C(=O)C=C[C@@]21O[C@@H]2c3c1ccc(O)c3[C@H](O)[C@@H]1O[C@H]12 2356723577 NITQFOMVGXXWTM-HGJUEJDCSA-N 364.353 2.283 30 1 FEEF C=C1C[C@@]23C[C@H]1C(=O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O 2356764873 SEDBAGHKXIEGAI-LPQFYSQDSA-N 360.406 2.319 30 1 FEEF CC[C@H](C)[C@@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C/[C@@H]3OC(=O)[C@@]1(C)[C@H]32 195505870 ABLNQMKQYJQVRR-QPUABQSBSA-N 362.422 2.260 30 1 FEEF CCCCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O 28126563 XTJMCZPMUGISFW-SFHVURJKSA-N 356.403 2.157 30 1 FEEF CCCCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1 27074565 WXEQIIYRZHZJNN-MRXNPFEDSA-O 356.508 2.450 30 1 FEEF CC(C)N(Cc1ccc(C#N)cc1)[C@@H]1CN[C@H](C(=O)N2CCSC2)C1 28642584 MTLKXJKUAPKJHX-ROUUACIJSA-N 358.511 2.032 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)=CC)[C@H]1OC(=O)C1=C1CC=C(C)[C@H]12 2356448332 ZQNXYIUWXMFILN-FITYOTRXSA-N 356.374 2.164 30 1 FEEF C=C[C@@H]1C(=C)CC[C@@H]2[C@]1(O)CC[C@@]1(O)[C@@](C)(C(=O)O)[C@@H](O)CC[C@]21C 2356572735 MECXSJIILFRSID-INIPNLRTSA-N 350.455 2.263 30 1 FEEF COc1cc(Cc2cnc(N)nc2N)cc(OCCCCC#N)c1OC 45303246 LHTDWCLUDHBTMH-UHFFFAOYSA-N 357.414 2.322 30 1 FEEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O 257567974 VNCQCPQAMDQEBY-NFXCMFGFSA-N 362.422 2.255 30 1 FEEF endogenous,in-man C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O 257430209 GWJAUARFGPKLMT-LEGRXDDFSA-N 364.438 2.046 30 1 FEEF endogenous,in-man NC(N)=N/N=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2sc(Cl)cn12 5974055 ZUCVGJVUJSOEMH-YAXRCOADSA-N 363.790 2.232 30 1 FEEF C[C@](O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)CF 205806630 OGOILNCRUCLEMH-KRWDZBQOSA-N 364.373 2.055 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/CO)C/C(C)=C\CC[C@@]1(C)O[C@H]21 36374464 CQZUJMJORLOTCJ-BNOBJFPWSA-N 362.422 2.222 30 1 FEEF CC(=O)OCC[C@@H](/C=C\C=C/C#CC#C/C=C/CO)OC(=O)C=C(C)C 238770624 CQDVFBMTEZFKKY-HAWFITQUSA-N 356.418 2.485 30 1 FEEF COC(=O)c1cccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 587261384 ANJMWQKGUQOPCT-UHFFFAOYSA-N 367.317 2.406 30 1 FEEF COc1ccc(/C(O)=C2/C(=O)C(=O)N[C@@H]2c2ccc(OC)cc2OC)cc1 100455411 VFHFXKKQRTXHSR-FXBHHXAOSA-N 369.373 2.422 30 1 FEEF C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC[C@@]5([C@@H](OC)O4)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O 102073148 DZEDOCQBLMZSHN-WPHQSEFKSA-N 362.466 2.057 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@@H](COC(=O)CC(C)C)[C@]1(O)CCC(=O)[C@@]21C 28637296 NGKFAMFILMKFJI-QOZBGNNQSA-N 364.438 2.184 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@@H](OC(=O)C=C(C)C)[C@]12O 2356585881 FKEMRUDCQBDXII-QEEHTWDDSA-N 362.422 2.124 30 1 FEEF CN1CCN(c2nccc([C@H](C#N)c3nc4ccccc4s3)n2)CC1 34021692 DBOLZWKIJLJXJS-ZDUSSCGKSA-N 350.451 2.494 30 1 FEEF C=C1C[C@@](C)(c2cc(NC(=O)c3cnc(OC)cn3)ccc2F)N=C(N)O1 198717153 FSVBVNNRXBHMBO-SFHVURJKSA-N 371.372 2.341 30 1 FEEF N#Cc1cccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587271613 HDCXSHIDDHJVTE-AWEZNQCLSA-N 364.365 2.241 30 1 FEEF CC1(C)COB(c2ccc([C@@H]3NCCc4nc5ccccn5c43)cc2)OC1 962988797 YWOGLEZIEBOBSM-IBGZPJMESA-N 361.254 2.338 30 1 FEEF CCCCCCCCCCCCc1cn(C[C@H]2NC[C@H](O)[C@@H]2O)nn1 1857640496 CBFPIEOOPNAFIX-CEXWTWQISA-N 352.523 2.435 30 1 FEEF COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N(C)C)cc2)cc1OC 49113437 PNJDRNNCWGNNAG-UHFFFAOYSA-N 367.409 2.072 30 1 FEEF CCOC(=O)c1c(C)n[nH]c1N/N=C/c1ccc(N2CCN(C)CC2)cc1 40847695 UPZHPKDAWWONQF-DEDYPNTBSA-N 370.457 2.093 30 1 FEEF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[N+](=O)[O-] 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30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C3C(=O)O[C@H]3[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238746919 ZQNXYIUWXMFILN-KDYYLDKASA-N 356.374 2.164 30 1 FEEF Cc1cc(OS(=O)(=O)O)c2c(c1)N1CCCCN1C2=C1C=CC(=O)C=C1 2356375086 PIIGHYPMPPFOCX-UHFFFAOYSA-N 374.418 2.414 30 1 FEEF CCN(CC)CCNC(=O)c1ccc(C(=O)N[C@H](C=O)CC(C)C)cc1 28526314 NPUYBPIQVRWXIL-SFHVURJKSA-N 361.486 2.102 30 1 FEEF N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2N2CC[C@H](O)C2)cn1 43120795 DJKQLDAFKZSMDQ-LBPRGKRZSA-N 358.789 2.217 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)[C@@H]3C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3 195464943 UEFXHAIMDIUNBV-DOERBJGGSA-N 362.422 2.221 30 1 FEEF N#C[C@@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@H](CO)N1C(=O)Cc1ccccn1 95898261 FLQYRXYGAVUNDA-FUPPJEDESA-N 371.440 2.265 30 1 FEEF C=C1CC[C@H]2O[C@@]2(C)C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@H]2[C@H]1O 238731214 HYTGQNKYAUKSKO-NGLYDGFASA-N 362.422 2.221 30 1 FEEF COc1ccc(Cl)cc1C#Cc1sc(S(N)(=O)=O)cc1[N+](=O)[O-] 587918131 BSYWAWFIHPVSSA-UHFFFAOYSA-N 372.811 2.366 30 1 FEEF 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30 1 FEEF C=C1C(=O)O[C@H]2[C@H](OC(=O)C(C)=CC)[C@](O)(C(=O)C=CC)[C@@H](C)CC[C@H]12 2356499170 WZMSNQSBWAAHTM-LFXFZHITSA-N 362.422 2.268 30 1 FEEF O=C(OC[C@@]12O[C@@H]1C=C[C@@H](OC(=O)c1ccccc1)[C@@H]2O)c1ccccc1 38261016 BHNSEWKVMCNSGO-DCXXXQMHSA-N 366.369 2.137 30 1 FEEF CCCN1C(=O)[C@]2(N=C1N)c1cc(C#N)ccc1CC21CCC(OC)CC1 141650976 QZVHXQNBSJTKPS-VYHPPPRESA-N 366.465 2.452 30 1 FEEF Cc1cnn(-c2ccncc2N2CCC(C(=O)N3CCC[C@H]3C#N)CC2)c1 1857596428 BULOBOGKOFGFMN-KRWDZBQOSA-N 364.453 2.307 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@H]12 2356401952 VDQCKUZZTGKPLY-UTWBZJBRSA-N 360.406 2.237 30 1 FEEF CC(C)=CC[C@]12O[C@]1(C(=O)OCCCCO)C(=O)c1ccccc1C2=O 2356356825 DTTHOXCGRDNGCY-UXHICEINSA-N 358.390 2.245 30 1 FEEF C=CC[C@@]12C=C(O)C(=O)[C@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O 101165009 TXEDTYYHGZODBU-KVHFVPOGSA-N 358.390 2.482 30 1 FEEF C/C(=N/N=C(\S)N1CCN(c2ccccn2)CC1)c1ccc(N)cc1 40556798 RMFLTUKQTYCMFM-STZFKDTASA-N 354.483 2.496 30 1 FEEF 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JIOWDKSKWPTSCY-OATWUIROSA-N 360.406 2.032 30 1 FEEF COc1ccc(NC(=O)C2=C/C(=C3/C=C(Cl)C=CC3=O)NN2)c(OC)c1 103918035 JJKMPNYFJNJEIU-WYMLVPIESA-N 373.796 2.150 30 3 FEEF O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C(=O)/C=C(\O)C(=O)O)c1 102260048 USNMFHKXTVFDCX-VDKZDUAJSA-N 369.329 2.459 30 1 FEEF C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@H](O)[C@@]5([C@@H](OC)O4)[C@@H]2CC[C@@H]1[C@H]3O 102781470 HZXIWBLGRBHNQF-JTVPKEBDSA-N 362.466 2.057 30 1 FEEF N#Cc1c(NC(=O)[C@H]2C/C(=C3\C=CC=CC3=O)NO2)sc2c1CCC2 104008996 MGNOJXMNAJJHCB-BMOGTNHUSA-N 353.403 2.290 30 3 FEEF CCC1=C(C)C(=O)c2cc3c(c(O)c2C1=O)C(=O)[C@@](C)(O)C(=O)C3(C)C 14453166 MEDXQZJJCUKMBX-HXUWFJFHSA-N 356.374 2.292 30 1 FEEF biogenic,in-vivo C=Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C#Cc3ccccc3)CC2)n1 473249373 VXFCYUAFWNPAHK-UHFFFAOYSA-N 362.389 2.333 30 1 FEEF Cc1ccc(S(=O)(=O)N/N=C/c2coc3cc(O)ccc3c2=O)cc1 1772654120 WSCSPLSWYNBYOT-GIJQJNRQSA-N 358.375 2.119 30 1 FEEF N#CCCNC(=O)N1CCC[C@@]12CCCN(c1ncnc3[nH]ccc13)C2 169699006 UHTMGWBZJWZTSR-GOSISDBHSA-N 353.430 2.016 30 1 FEEF C/C(=N\NC(=N)N)c1sc(-c2ccc(C#CC(C)(C)O)cc2)nc1C 1857566766 KDUMFCXAUWEJGV-WSDLNYQXSA-N 355.467 2.448 30 1 FEEF C=C1C[C@H](CC)C(=O)O[C@@H]2CC[C@]3(C)CC=C(COC(=O)[C@]1(C)O)[N@+]23[O-] 2356322030 OYUWUNNAOJAFSE-ADRVDLLCSA-N 365.426 2.291 30 1 FEEF CC(C)[C@@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O 103133051 WFNVELRHTJUUMG-IDYLYPCZSA-N 355.390 2.441 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/C(=O)/C=C(/C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 102960373 VUURQISRHJCAJY-HVQYRQBMSA-N 360.406 2.189 30 3 FEEF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(C#N)cc4[nH]3)c2N)C1 586956007 YIZAKNJPCWSXIO-UHFFFAOYSA-N 367.434 2.001 30 1 FEEF COc1cc2c3c(c1)O[C@@]1(c4ccccc4N(C)C(=O)[C@H]1C#N)[C@@H](C2)C3=O 587436645 SROVFYJFKNWUND-ZSDSOXJFSA-N 360.369 2.454 30 1 FEEF CC(C)c1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C#N 14944869 PKPUQAHREZJAKY-PEZBUJJGSA-N 366.424 2.279 30 1 FEEF C=C(C)C[C@H]1N(c2cccc(OC)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@]21O3 169295829 NAMJXTOLLRLBNM-TWGXZMITSA-N 355.390 2.401 30 1 FEEF CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO 95897651 IWMSBTAHFYGBCH-DYXWJJEUSA-N 367.424 2.233 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)/C=C(/C)C[C@H](O)/C=C(/C)[C@H]2O 238772406 YFXZVQIPUJONOJ-YPGUEBOASA-N 364.438 2.060 30 1 FEEF CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H]1C#N 95667913 MDUKBQJNNTZDSK-KSZLIROESA-N 360.410 2.105 30 1 FEEF N#Cc1cccnc1NCc1cccc(-c2nc3c(O)nc(N)nc3[nH]2)c1 587229168 AUDMBSDDQNZZKH-UHFFFAOYSA-N 358.365 2.186 30 1 FEEF CC(=O)ON/C=C1\C(=O)N2C=CC=C(C)C2=N\C1=N/Cc1ccccc1 104002300 XATYHFOJWKKEPL-RXRQNUKASA-N 350.378 2.251 30 3 FEEF C=C1C[C@H](CC)C(=O)O[C@@H]2CC[C@]3(C)CC=C(COC(=O)[C@]1(C)O)[N@@+]23[O-] 2356322032 OYUWUNNAOJAFSE-MQLHOLDLSA-N 365.426 2.291 30 1 FEEF Cc1[nH]cnc1CSCC/N=C(\N)NCCSCc1nccs1 29212408 LEAYJBKAPNKTOJ-UHFFFAOYSA-N 370.573 2.246 30 1 FEEF C[C@@H]1C[C@H]2O[C@@H]2/C=C/C=C/[C@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 139786011 XYSBXIOQSHEANG-CDVUGRDISA-N 366.797 2.483 30 1 FEEF CC(C)(C)NC(=O)[C@]1(C)CCCC(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 1772583360 IIAHRRPXSUIMPI-KFXAOSDLSA-N 350.375 2.208 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@]2(O)[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356407799 LEDWNNAHTKTAEH-AYCDZVMBSA-N 360.406 2.022 30 1 FEEF CC(=O)OCC=CC#CC#CC=CCC[C@H](CCOC(C)=O)OC(C)=O 2356546855 SXVKCJNWXQMFNP-HXUWFJFHSA-N 360.406 2.334 30 1 FEEF C=CCNC(=S)N1Cc2cc(Br)ccc2-n2nncc2C1 72136617 IFZNIJQMHDAFJX-UHFFFAOYSA-N 364.272 2.406 30 3 FEEF C=C1C[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@@H]2O[C@@]2(C)CC[C@@H]1O 2356379459 VONCGJWJTWSHIG-QXKNQTRRSA-N 362.422 2.221 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC(C)=CC[C@H](O)[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356601212 OALKRCUXSIESFZ-JAAGWLQBSA-N 364.438 2.301 30 1 FEEF COC1=C[C@@]2(Oc3ccc(Br)cc3C2=O)C(OC)=CC1=O 73164800 CXGGBCHGNGPNHZ-OAHLLOKOSA-N 351.152 2.406 30 1 FEEF N#CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cccc(F)c1 82064524 QPQRNZUJGNEYKF-KRWDZBQOSA-N 371.437 2.497 30 1 FEEF CC(=O)N[C@@H](C)C#Cc1cnc(Oc2ccc(OCC(=O)O)cc2)s1 40585057 UTUQNWIFQKBUHV-NSHDSACASA-N 360.391 2.275 30 1 FEEF CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@]23CO3)C1(C)C 257512599 PJNBMVOSONBSAO-RKYZWWOHSA-N 350.411 2.420 30 1 FEEF C/C1=C\C(=O)[C@@H](C(C)C)C[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@](C)(O)C(=O)CC1 13324992 XTTHQGPLWSYZEC-YSLIMBMKSA-N 366.454 2.367 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)C=C(C)C)[C@H]1O[C@]1(C)CCC[C@H](C)[C@H]2O 15158337 UMHQHFHQQZZQGN-ADUOKKNRSA-N 364.438 2.301 30 1 FEEF endogenous,in-man C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H](O)[C@H]12 2356382625 HLVWSNQLQFQXIU-TXJWRWGXSA-N 362.422 2.221 30 1 FEEF C=CC[C@@H](Nc1ccccc1)[C@@]12C=C[C@H](O1)C(C(=O)OC)=C2C(=O)OC 100510953 OATWETZGGLHRAC-BXTJHSDWSA-N 355.390 2.393 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(COC(=O)[C@@H](C)CC)CCC=C(CO)C(=O)C[C@H]12 2356581259 QHGKREFYCJPLAM-BJOOFOGMSA-N 362.422 2.272 30 1 FEEF CCN(C)c1ncc(C(=O)NCCCOC)c(-c2ccc(C#N)cc2)n1 82159487 SUIKGUFHXMXYTA-UHFFFAOYSA-N 353.426 2.238 30 1 FEEF COCCOc1cnc(N)nc1-c1c[nH]c2ccc(C#CC(C)(C)O)cc12 95589262 ZZIZLABGKZWVAW-UHFFFAOYSA-N 366.421 2.355 30 1 FEEF in-vitro C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439800 DJURKPXZWFBUMA-JLTOFOAXSA-N 374.389 2.254 30 1 FEEF C=CCN1C(=O)S[C@@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)C1=O 587038511 KBAXHIWDPQLHEA-ZDUSSCGKSA-N 356.407 2.240 30 1 FEEF N#Cc1ccc(-c2cccc(S(=O)(=O)N3CC[C@@H](N4CCC4)C3)n2)cc1 201745009 XHCMSJHYEVLGDK-QGZVFWFLSA-N 368.462 2.089 30 1 FEEF C=C(C)[C@H](O)CCC(C)=C[C@@H]1OC(=O)C[C@@]12C[C@H](OC(C)=O)C=CC2=O 2356442924 UPJWEYWAFSPGPI-ZTRFORPCSA-N 362.422 2.413 30 1 FEEF Cc1ccc(C(=O)Oc2cccc3c2C(=O)C(N2CC2)=C(N2CC2)C3=O)cc1 29396964 SCGUIBWZJXNWGD-UHFFFAOYSA-N 374.396 2.436 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)C(C)=CCC[C@@]1(C)O[C@H]21 2356538070 QGMPZWRIDXSGGX-SQPDSBPRSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(COC(=O)[C@H](C)CC)CCC=C(CO)C(=O)C[C@H]12 2356581262 QHGKREFYCJPLAM-XHBKTUGNSA-N 362.422 2.272 30 1 FEEF C=C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1cc(OC)c(OC)c(OC)c1 2356607357 HJGBHJFYVKDIFH-YCPHGPKFSA-N 360.454 2.339 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=O)C(=O)C(C(C)C)=C1C[C@@H](O)[C@@H]2C 2356841551 NJWONFAQULLUTD-PYDUYXIFSA-N 362.466 2.212 30 1 FEEF Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(S)[C@@H](C2)N(CC2CC2)CC[C@]314 26259901 LITLSYHRBYLFFK-SBCNTATESA-N 357.475 2.031 30 1 FEEF CS(=O)(=O)c1cncc(C#Cc2cc(Cl)ccc2OCC(=O)O)c1 73196245 VDBPAMQUGDSFAO-UHFFFAOYSA-N 365.794 2.002 30 1 FEEF C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 71755730 VNCQCPQAMDQEBY-WWMKNXIWSA-N 362.422 2.255 30 1 FEEF endogenous,in-man C[C@](CCc1ccc(C2=CCSCC2)cc1)(C(=O)NO)S(C)(=O)=O 145269895 SBVIWCQJOMDZSC-KRWDZBQOSA-N 369.508 2.448 30 1 FEEF CC(C)C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 95897486 LNTBULLJMFLXLX-QHAWAJNXSA-N 366.461 2.300 30 1 FEEF CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]23CO3)C1(C)C 85775195 PJNBMVOSONBSAO-ZRLASGMHSA-N 350.411 2.420 30 1 FEEF biogenic CCCc1nc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)nn1-c1ccccc1F 587154235 AKGJZQUOOIRMBK-UHFFFAOYSA-N 373.355 2.387 30 1 FEEF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(C#CCO)cc2)N1 963224137 IDHICHOWBWGGCH-NHCUHLMSSA-N 358.397 2.267 30 1 FEEF O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1)NO 13808311 NEUXHEKNAOUEQU-UHFFFAOYSA-N 362.317 2.273 30 1 FEEF CC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1 45337501 IEVXAUDCWGLGOL-UHFFFAOYSA-N 357.387 2.389 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)C/C(C)=C/[C@@H](O)C[C@@]1(C)O[C@H]21 238761613 JPBAIMOXIINYNI-RMWJRHLASA-N 362.422 2.221 30 1 FEEF O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnncc2[nH]1 587089277 OHZYIHKDTHHCET-UHFFFAOYSA-N 364.152 2.435 30 1 FEEF NC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 587889756 ALJXOADHNSWZDH-UHFFFAOYSA-N 362.216 2.198 30 1 FEEF C[C@@H]1[C@H]2C[C@H]3N1C[C@H]1CCC(=O)C4=C(C(=C2O)C2=C4CCOC2=O)[C@@]13C 2356502093 XMNQTPJJGRHTJM-CKJPAMJQSA-N 353.418 2.444 30 1 FEEF C=C(C)[C@@H]1CC[C@@]2(O)C(=O)O[C@@H]3C[C@@](C)(CC(=O)C=C(C)C(=O)C1)O[C@H]32 2356538469 FPMOPBCTUVNARK-NESDPSEASA-N 362.422 2.041 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C(C)=CC)[C@H](O)[C@@]12O 2356653365 CTVNMICJHWLINA-NHAYFPRASA-N 362.422 2.124 30 1 FEEF CC(C)C1=C[C@@H]2O[C@]2(C)CCC[C@H](CO)C(=O)CC[C@@H](C)[C@H](O)C1=O 2356384630 UOCSSAQKXPCRQA-HDBPLKOHSA-N 352.471 2.434 30 1 FEEF CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@]3(C)O[C@@H]3C[C@H](O)[C@@]12C 2356331792 RDXWJBVCSVKCQR-JZRFKBTPSA-N 366.454 2.070 30 1 FEEF C[C@H]1CO[C@H]2C(CNc3ccccc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 52996747 IUVCYWOCRZAXQI-AHYKXKOGSA-N 370.380 2.271 30 1 FEEF COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C=C(C)C(C)=CC3=O)NN2)c1 103917356 JCKUQQFVAHXFRO-CCEZHUSRSA-N 367.405 2.363 30 3 FEEF CN1C(=N)N[C@](C)(c2cc(-c3cccc(C#N)c3)cs2)CS1(=O)=O 144605818 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FZAOIFSYYFMZOR-UHFFFAOYSA-N 365.264 2.249 30 1 FEEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 62234929 DBFXNHHIIKEXPP-KXWJDVFRSA-N 364.438 2.046 30 1 FEEF in-man COc1cc2c3c(c1)O[C@]1(c4ccccc4N(C)C(=O)[C@H]1C#N)[C@@H](C2)C3=O 587436643 SROVFYJFKNWUND-PDSXEYIOSA-N 360.369 2.454 30 1 FEEF CC1=C[C@]2(C=C(Br)C1=O)N[C@H](C(=O)O)Cc1cc(F)ccc12 962923336 QMBODMUOWWBTIT-XJKSGUPXSA-N 366.186 2.428 30 1 FEEF C#CCN1C(=O)COc2cc(F)c(N3C(=O)c4ccc(F)cc4C3=O)cc21 103174877 KOHVLABWTPHRFF-UHFFFAOYSA-N 368.295 2.124 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H](O)CC(=O)[C@]3(COC(=O)CC(C)C)C[C@@H]12 2356386872 ZCBGWTXYDVFNMY-DYRKAACPSA-N 364.438 2.040 30 1 FEEF Cc1ccc(S(=O)(=O)/N=C(\OCC(=O)N(C)C)c2ccccc2)cc1 26180874 WFNKCZXTWGVVNB-HNENSFHCSA-N 360.435 2.235 30 1 FEEF CCCNC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)c1ccc(C#N)cc1 36389092 BPGIXWWZQUENJX-LJQANCHMSA-N 365.433 2.434 30 3 FEEF C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 85800186 PIKIDCPJSQIMHW-IBZMVCBDSA-N 364.438 2.046 30 1 FEEF in-man CC(C)C(=O)O[C@H]1[C@]2(C)[C@@H](C)CC[C@H]3O[C@]32C[C@]23OC(=O)[C@@H](C)[C@]12O3 238742069 BTKGXQJTMYPRGZ-QEYNUVOKSA-N 350.411 2.190 30 1 FEEF N#Cc1nc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2nc1C#N 587004501 VEZDCSCTCPRTGS-UHFFFAOYSA-N 365.154 2.402 30 1 FEEF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(C)C(=O)[C@H]1[N+](=O)[O-] 587388971 IIXVSEGSQHFXGE-IEBWSBKVSA-N 367.361 2.060 30 1 FEEF CN(C)c1ccc(C[C@H](N=O)C(=O)NCCS)cc1Br 169727937 NPJTXFNEZOSVQB-NSHDSACASA-N 360.277 2.239 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@]1(C)O[C@@H]1C)CC(C)=CCC[C@@]1(C)O[C@@H]21 2356736788 OAMWENYKVCNNOT-KGNKMYHKSA-N 362.422 2.461 30 1 FEEF Cn1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O 587890555 MCEWYKBWRSDBAI-UHFFFAOYSA-N 350.205 2.250 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(CCCO)c1 587885127 BEKGQUHMKVWHLQ-UHFFFAOYSA-N 366.248 2.283 30 1 FEEF COc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1OC 13612610 URSWJHSMPOBXAT-UHFFFAOYSA-N 356.407 2.176 30 1 FEEF CN1CCC(=NN=C2NC(=O)/C(=N\Nc3ccc(Cl)cc3)S2)CC1 1857638260 JIAAAHZWAPPEIF-XSFVSMFZSA-N 364.862 2.366 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)[C@H](O)C[C@H](C)[C@@H](OC(=O)C(C)=CC)C[C@H]12 2356550377 DXRCWAWYBNLZLH-QDMNRBCHSA-N 364.438 2.060 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)C[C@@]3(C)CO3)[C@H]12 2356628397 RFEARFCDESDICQ-NWDGLCLDSA-N 362.422 2.222 30 1 FEEF C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 257567975 VNCQCPQAMDQEBY-ZXHHNCQOSA-N 362.422 2.255 30 1 FEEF endogenous,in-man C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@H](CC(=O)C1)O2 15199742 CCRQLJVTUBLUBL-PMUKJZIJSA-N 362.422 2.497 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\COC(=O)[C@H](C)CC)C[C@@H](O)[C@@H]12 205079173 XJZZDTSTRICRMS-UHOXETIVSA-N 364.438 2.063 30 1 FEEF CC(C=CC(O)=C1C(=O)N[C@H](Cc2ccc(O)cc2)C1=O)=C[C@@H](C)[C@@H](C)O 2356343435 PJJOESIMAAZBQS-CKEIUWERSA-N 371.433 2.334 30 1 FEEF COC1=C/C(=C(\C)NN2CCN(c3ccccc3OC)CC2)C=CC1=O 137234398 BPFZSOLZERFBIZ-FOCLMDBBSA-N 355.438 2.265 30 3 FEEF C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](O)C(=O)C=C(C)[C@@H]21 238733340 ANEOWDWLJGVECN-NWAOHVGFSA-N 362.422 2.102 30 1 FEEF N#CC1(n2cc([C@@H](NC(=O)c3ccsc3)[C@H]3CCCOC3)nn2)CC1 95562868 QUKHVTGJPVTSLU-WFASDCNBSA-N 357.439 2.250 30 1 FEEF C=C[C@]1(C)C=C(C(=O)O)[C@@]2(CC1)OC(=O)[C@H]1[C@](C)(CO)CC[C@@H](O)[C@@]12C 169638766 CWLQKGVWECQEPJ-XJFXRRGNSA-N 364.438 2.055 30 1 FEEF C[C@](CCc1ccc(-c2ccc(O)cc2)cc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c1ccc(N2CCOCC2)cc1)c1ccc(OC)cc1OC 1269686 ZLWMZHZRZUSOQH-OAQYLSRUSA-N 353.418 2.410 30 1 FEEF C=C(C)[C@H](O)CC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(C)=O)C=CC2=O 28567024 UPJWEYWAFSPGPI-FTNNZUJKSA-N 362.422 2.413 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@]12O 2356585879 FKEMRUDCQBDXII-HYJFEMIMSA-N 362.422 2.124 30 1 FEEF CN[C@@H]1CCc2cc(OC)c(OC)c(OC)c2C2=C1[C@@H]1C(=O)C(OC)=C[C@H]21 2356696766 PRKULWMHZYZBPD-PSTGCABASA-N 371.433 2.359 30 1 FEEF CC(C)C[C@H](NC(=O)c1csc(-c2cccc(N)c2)n1)C(=O)NCC#N 82061623 JBSLTTOZLORGRU-AWEZNQCLSA-N 371.466 2.177 30 1 FEEF C=CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)C(=O)N(CC=C)C1=O 299862675 NNOPTVDTIXHSOC-UHFFFAOYSA-N 356.378 2.250 30 1 FEEF C[C@H]1CCC/C1=N\N=C1/SCC(=O)N1CN1C(=O)c2ccccc2C1=O 653794407 KQNZDJIJTPGOFD-HCXSDBNZSA-N 370.434 2.348 30 1 FEEF N#Cc1nccnc1NCC(=O)N1CCC(Oc2ccccc2Cl)CC1 52988098 BYTIXRGZCSORTK-UHFFFAOYSA-N 371.828 2.484 30 1 FEEF C[C@@]1(C(=O)NC2CCCCC2)CCC(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 1772624182 WUIUXGJROWLTKS-SZLZGVTBSA-N 362.386 2.352 30 1 FEEF C[C@@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)CF 205812323 LWEVIJJZOSNNTR-ZYYDUNOVSA-N 357.360 2.292 30 1 FEEF C=C(C(=O)C=CC(C)(C)O)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@@H]1OC(=O)C(C)=CC 2356598845 CXNVIVAMFRVJPD-NTNQKNOYSA-N 362.422 2.063 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC(=O)[C@](C)(O)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356708537 SZISADOJIZTCFZ-DOHHPOSVSA-N 362.422 2.413 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@H](OC(=O)/C=C(\C)CO)[C@@H]12 238749537 RNNKSBPSDFMQAP-AHBZROHESA-N 362.422 2.222 30 1 FEEF COc1ccc(N2C(=O)CS/C2=N\N=C2\C(=O)Nc3ccccc32)cc1 6182008 JUWAQKATHUMQRW-UZYVYHOESA-N 366.402 2.487 30 1 FEEF CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N[C@H]3CCOC3)nc2)cc1 113409451 JNGAWHMFLKUMSE-YWZLYKJASA-N 364.449 2.144 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@H]1CO 95897872 AINXGCJTFTULJC-VAMGGRTRSA-N 372.490 2.230 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@@](C2)([C@@H](C(=O)O)[C@H]2[C@@](C)(C(=O)O)CCC[C@@]32C=O)[C@@H]1O 257621170 XIYAYYIGCSWTQO-SUUUMTRTSA-N 362.422 2.111 30 1 FEEF endogenous,in-man CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@]12CO2 256297410 IGDIDZAQDRAJRB-ZUQJMZMUSA-N 350.411 2.154 30 1 FEEF endogenous,in-man CCOC(Cn1nc(C#Cc2ccccc2)c2c(N)ncnc21)OCC 653874469 AWGQQHDGFVYLRU-UHFFFAOYSA-N 351.410 2.207 30 1 FEEF O=C1C=C/C(=C/NNc2ncnc3c2ncn3Cc2ccccc2)C=C1O 15974294 QYUWHJQPTUGDGV-ZROIWOOFSA-N 360.377 2.256 30 3 FEEF CNc1nc(Nc2ccc(C(=O)NCC3CC3)cc2OC)ncc1C#N 169705119 NUNZOVOSYUQPMK-UHFFFAOYSA-N 352.398 2.282 30 1 FEEF CC(=O)O[C@@H]1C[C@H](c2ccccc2)OC2=C1C(=O)C(C)(C)[C@H](O)[C@]2(C)O 2356404245 ICCZVVDZXBQQBA-BCSOIMDTSA-N 360.406 2.055 30 1 FEEF O=C1C(N2CC2)=CC(=O)c2c(OS(=O)(=O)c3ccc(F)cc3)cccc21 29389837 FFEIEWOWVDWYHS-UHFFFAOYSA-N 373.361 2.172 30 1 FEEF Cc1cccc(N2C[C@]23C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)c1 72179094 XFNDFHVHWVVNLS-OJLSYCMTSA-N 367.445 2.402 30 1 FEEF C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CC[C@@H](C(=O)CO)[C@]34C[C@@H](O[C@@H]4O)[C@H]12 257526349 QUQBHBRVKLEOEI-GEGYCHFXSA-N 360.450 2.003 30 1 FEEF C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 15256565 GWJAUARFGPKLMT-NHIVMBIUSA-N 364.438 2.046 30 1 FEEF endogenous,in-man C=C1C(=O)O[C@@H]2[C@H](O)C(C)=CC[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356313598 MKARTHSOYIRTRD-FPEUBTHASA-N 362.422 2.221 30 1 FEEF COc1cccc2c1C(=O)C=C[C@@]21O[C@H]2c3c1ccc(O)c3C(=O)C[C@@H]2O 2356567013 CQWJYJYKRYUHNR-IWMITWMQSA-N 364.353 2.416 30 1 FEEF CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](C3=CC(=O)O[C@@H]3O)C[C@@]12C 2356603649 ISKSLPVHTHRLNJ-NRCWBNPGSA-N 360.406 2.061 30 1 FEEF O=C(C#Cc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(F)cc2)CC1 43058956 RMVKIUJGAKDMQN-UHFFFAOYSA-N 367.380 2.430 30 1 FEEF CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1C#N 95897653 IWMSBTAHFYGBCH-QKNQBKEWSA-N 367.424 2.233 30 1 FEEF CN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 586928796 JIZFXIRRVHHZAK-UHFFFAOYSA-N 371.378 2.163 30 1 FEEF CC1=CC(=O)[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)NN1 587797407 WUDASQOSBPAMOK-BWSGLCNJSA-N 354.223 2.113 30 1 FEEF CCCCC[C@H](O)CCCN(CC#CCCCC(=O)O)S(C)(=O)=O 169346981 BTQVBIGKNVHKRT-INIZCTEOSA-N 361.504 2.228 30 1 FEEF CN1CCc2cn(C)nc2[C@H]1c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 963954212 IDJJXNIVZROLIJ-GOSISDBHSA-N 371.265 2.436 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)C3=C[C@H](O)OC3)[C@@H]12 158277612 GWPLGGJNZWWQIB-VQZGOLLMSA-N 360.406 2.348 30 1 FEEF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN(CC=C[C@](C)(C=O)C1)C3=O 2356435014 NSBBIRUCLLBOMJ-SFTDATJTSA-N 366.417 2.174 30 1 FEEF C=CCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OCCO)CN(C)[C@H]1C2 29483343 CUEDKHZMFQFZOB-IEZWGBDMSA-N 354.450 2.323 30 1 FEEF COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@H]34)[C@@]2(C)C1=O 85531745 WJRYKXDCVDXQKS-XHIHFAMZSA-N 374.433 2.429 30 1 FEEF biogenic,in-vitro C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)C/C(C)=C/CC[C@@]1(CO)O[C@H]21 523041725 OMABZDYFTUAZPH-FVVLBSHOSA-N 362.422 2.222 30 1 FEEF biogenic COc1ccc([C@@H]2NC3=C(CCCC3)[C@@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1 5924183 HXZAFDZRTPBTFB-FFZOFVMBSA-N 361.405 2.085 30 1 FEEF C/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 1911570833 QTFSPXLSJGNNTK-VCHYOVAHSA-N 359.367 2.174 30 1 FEEF O=CC(C=O)c1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1[N+](=O)[O-] 587262037 MMOMSDSFLJAFBT-UHFFFAOYSA-N 353.334 2.154 30 1 FEEF CN(c1ccc2c(ccc(=O)n2C)c1)S(=O)(=O)c1ccc(C#N)cc1 1772601109 HSXBCFYYZSGVMH-UHFFFAOYSA-N 353.403 2.235 30 1 FEEF O=C(O)[C@H]1CNC[C@@H](CN/N=C/c2ccc(C#Cc3ccccc3)s2)C1 1857544209 SASCHHSIRVXFPW-KCINCMESSA-N 367.474 2.382 30 1 FEEF CCCC[C@H](S)C(=O)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O 3805457 DRWPQXKJHUNFJS-ZFWWWQNUSA-N 364.467 2.024 30 1 FEEF O=C1C=C[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1N2Cc1ccccc1 105409239 WKEXHQLBCFZJRL-RNQOJCNYSA-N 358.397 2.184 30 3 FEEF CCOC(=O)[C@H](Cc1ccc(OC[C@@H]2CO2)cc1)NC(=O)c1ccccc1 29389232 ZVEHQCBNPYJTMQ-MOPGFXCFSA-N 369.417 2.368 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)C=CC(=O)[C@](C)(O)C[C@@H](OC(=O)CC(C)C)[C@H]12 2356689799 ZGBPQHPXBVYXCV-LERAUJRQSA-N 364.438 2.348 30 1 FEEF C=CCc1cccc(OC)c1OCCCON1C(=N)NC(=N)NC1(C)C 45365301 CAHKAUXZRFECKF-UHFFFAOYSA-N 361.446 2.225 30 1 FEEF C=C1C(=O)O[C@H]2C[C@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)C[C@H]12 238739726 MKEUEUUTTBUCBV-DTELCWLKSA-N 350.411 2.404 30 1 FEEF C=C1C(=O)C(C)=C2C(=O)N3Cc4[nH]c5ccccc5c4C[C@]3(C(=O)OC)[C@H]12 96018519 LGPWBPXCRWILTG-DYESRHJHSA-N 362.385 2.050 30 3 FEEF C=CCN1[C@@H](C)COc2cccc(N3CCSCC3)c2S1(=O)=O 96020507 RTOUDSTWHDAFCK-ZDUSSCGKSA-N 354.497 2.197 30 3 FEEF N#Cc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 586942446 LPLZZHOEQTVQNH-UHFFFAOYSA-N 361.814 2.004 30 1 FEEF COC1=C(C(C)C)[C@H](O)C2=C([C@@H]1O)[C@]1(C)CCCC(C)(C)[C@H]1[C@]2(O)C=O 2356421787 SYKGLRRSHYGSMA-VDBJYJQWSA-N 364.482 2.351 30 1 FEEF C=C(CCO)C(=O)O[C@@H]1CC(C)=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@H]21 2356756185 DTSRWZQRWMWHDL-BGTYHANMSA-N 364.438 2.063 30 1 FEEF CCOCCCN/C(N)=N\c1nc(-c2ccc(CNC(C)=O)o2)cs1 28760263 RTRLJQPTPVLJFG-UHFFFAOYSA-N 365.459 2.002 30 1 FEEF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N 82192762 KKIYCJMQQBONRO-KTKJYAEASA-N 355.438 2.169 30 1 FEEF C=CCN1[C@H](C)COc2cccc(N3CCSCC3)c2S1(=O)=O 96020503 RTOUDSTWHDAFCK-CYBMUJFWSA-N 354.497 2.197 30 3 FEEF Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)n1 587885801 UAXUEWHCNICSHE-UHFFFAOYSA-N 366.204 2.136 30 1 FEEF CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C1CC1 205784584 VFHWXVRUOQUTJY-UHFFFAOYSA-N 369.396 2.180 30 1 FEEF COc1cccc(/C=C/c2[nH]c(=S)nc(O)c2C#N)c1OCC(=O)O 1857596630 MLXOJPFTDFUHRN-AATRIKPKSA-N 359.363 2.359 30 1 FEEF Cc1cc2c(cc1C)[n+]([O-])c1cc(NCCCN(C)C)c(C#N)cc1[n+]2[O-] 100894242 ZQNVQGJDVTYNGO-UHFFFAOYSA-N 365.437 2.112 30 1 FEEF CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 8860628 GKOXNCCRDMDZRS-LJQANCHMSA-N 362.378 2.308 30 3 FEEF C=C(C)[C@@H]1C[C@@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C 100772887 MFJWBSPRMQOETE-GLTYWKJESA-N 360.450 2.298 30 1 FEEF endogenous,in-man COc1cc(/C(N)=N/O)ccc1-c1cc(-c2cccc(/C(N)=N/O)c2)no1 103226145 RTOGBDMHGHBQDL-UHFFFAOYSA-N 367.365 2.206 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)C(C)=CCC[C@]1(C)O[C@H]21 2356538069 QGMPZWRIDXSGGX-RBGCFLLDSA-N 362.422 2.221 30 1 FEEF C=CCN1C(=O)S[C@@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C1=O 587038406 HIUTXADLQBEHAT-NSHDSACASA-N 350.331 2.403 30 1 FEEF Cn1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C=O 587890199 VBDRCAKUEHABQR-UHFFFAOYSA-N 350.205 2.250 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cnn(Cn2ccc(C(=O)O)n2)c1 587909682 YLKURMDDOKYUGP-UHFFFAOYSA-N 356.769 2.345 30 1 FEEF CCC1=C(C=CCCCC(C)=O)[C@H](O)[C@@H]2O[C@]23C[C@@H](O)C(C)(C)O[C@H]13 2356867600 WTSHULBYFBRCMQ-GJNTUIEKSA-N 350.455 2.449 30 1 FEEF O=c1c2cnn(Cc3ccccc3)c2ncn1/N=C/c1ccc2c(c1)OCO2 96913364 SKKANAHJSYTBTM-LSFURLLWSA-N 373.372 2.252 30 1 FEEF CCOC(=O)CCOCCCOCCc1nc2cc(C#N)c(C#N)cc2[nH]1 587569130 OZLCHNUSBKHGBC-UHFFFAOYSA-N 370.409 2.225 30 1 FEEF Cn1cc(Nc2nccc(-c3cnc(N[C@H]4CCOC4)c(C#N)c3)n2)cn1 1772633741 WVJPKNOQXFGHGR-AWEZNQCLSA-N 362.397 2.088 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)C(C)=CC)[C@@]1(O)CCC(=O)[C@@]21C 2356621057 NUZCELOKUVBKSF-VJWDDSFOSA-N 362.422 2.104 30 1 FEEF NS(=O)(=O)c1ccc(/N=C/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1 169685145 UXGASSHBBXBLJM-UFFVCSGVSA-N 366.402 2.407 30 1 FEEF Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccn2)cc1 104004281 APVBYOSIAMEOKX-NHTQVWSVSA-N 352.390 2.193 30 3 FEEF Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=N)N)c3c(C)cccc32)cc1 64549252 JVPPUSJFGJQBOO-UFFVCSGVSA-N 369.450 2.312 30 1 FEEF CCCCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N 40505591 AMOJZVSFXPBIPL-NSHDSACASA-N 358.398 2.036 30 1 FEEF CS(=O)(=O)c1ccc(Cc2n[nH]c(=S)n2/N=C/c2cccnc2)cc1 98081967 QRFNTMOCDIUNLL-WOJGMQOQSA-N 373.463 2.212 30 1 FEEF N#Cc1ccc(CN2C(=O)[C@@]3(Cn4nncc4CO3)c3ccccc32)cc1 473091447 YBSLUBDGFFCNTM-HXUWFJFHSA-N 357.373 2.122 30 1 FEEF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 587233646 VGAWKKPTIOOGBP-UWVGGRQHSA-N 353.386 2.257 30 1 FEEF C#CCn1c(O)c(/N=N\C(=O)CNC(=O)c2cccnc2)c2ccccc21 102611326 DZOHQCJUAQYDHE-FCQUAONHSA-N 361.361 2.415 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)C=CC(=O)[C@](C)(O)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356727639 ONPQMJRPONUMCY-JDSQBPMISA-N 362.422 2.268 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@@]12O 2356585878 FKEMRUDCQBDXII-HGKSCXNLSA-N 362.422 2.124 30 1 FEEF CCOC(=O)C(=O)CC(=O)/C=C/c1cc(C(=O)c2ccccc2F)c[nH]1 101704728 DESNORFHGSBWQJ-BQYQJAHWSA-N 357.337 2.489 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)C=CC(=O)[C@](C)(O)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356727643 ONPQMJRPONUMCY-OTLTYQLQSA-N 362.422 2.268 30 1 FEEF CCc1c(C)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)O[C@@]1(OC)C(=O)OC 13366073 DSYKJFFQHNSURC-HXUWFJFHSA-N 374.389 2.263 30 1 FEEF biogenic,in-vivo C=C1C(=O)O[C@H]2/C=C(/C)C(=O)/C=C/[C@](C)(O)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 523042463 XUPGTXZVXSSFBQ-UIPTWXJNSA-N 362.422 2.268 30 1 FEEF biogenic C=C[C@](C)(O)C[C@H](C=C(C)[C@H](C[C@H](O)C(=C)C)OC(C)=O)OC(C)=O 2356653642 NOIGSFFNIFVFAI-VJANTYMQSA-N 354.443 2.450 30 1 FEEF CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 84654482 SYFFUKLBOFFLLY-UHFFFAOYSA-N 372.392 2.473 30 1 FEEF C=C1C[C@@H]2OC(=O)C3=CCC[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]32CO 5663682 GQRWYOWPTLFVDK-AOHSKODXSA-N 356.374 2.454 30 1 FEEF N#Cc1c(N)nc(SCc2c[nH]cn2)nc1-c1ccc2c(c1)OCO2 169307010 DLNGSUIVMBTHRC-UHFFFAOYSA-N 352.379 2.342 30 1 FEEF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1C[C@H]1O[C@@H]1CCCC(=O)O 2356284778 CBOBGOJUDRNUHE-WJYLCMQVSA-N 368.470 2.462 30 1 FEEF C=CCn1c(=O)c2[nH]c(Cc3ccc(N)cc3)nc2n(CCCC)c1=O 13553790 UZVLOSHTOHOVEB-UHFFFAOYSA-N 353.426 2.045 30 1 FEEF COc1cc(CCc2nc(CCC(=O)NO)cs2)cc(OC)c1OC 1857542393 WWABKWHRVZDTRF-UHFFFAOYSA-N 366.439 2.392 30 1 FEEF CCN(CC)CCNc1c(C#N)n(O)c2cc(C(F)(F)F)ccc2[n+]1=O 377811140 BVZCXJFJZWUIET-UHFFFAOYSA-N 370.355 2.437 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 2356672318 FPOVYDMKICRBQA-OLPWTBESSA-N 362.422 2.221 30 1 FEEF C[C@@H]1CC(=O)[C@@]2(CO)[C@H](CCC[C@]23CO3)[C@@]12C[C@H](c1ccoc1)OC2=O 238750271 KRDZPLIXVXKNST-FFPVFLKUSA-N 360.406 2.411 30 1 FEEF COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@@]12C=CC(=O)[C@H]3[C@@H]([C@@H](C)O)C2 263590720 LEXLSWSPSAWRIZ-KGWCOZFKSA-N 369.461 2.041 30 3 FEEF COC(=O)c1n[nH]cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880578 RYSBTBSIUJCHFX-UHFFFAOYSA-N 366.204 2.214 30 1 FEEF CN(C)S(=O)(=O)c1cccc2[nH]c(C=NOCc3ccccc3)nc12 587190256 GTAXRIVEHSPUNU-UHFFFAOYSA-N 358.423 2.364 30 1 FEEF CC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 586929674 YHWPRUGIOYQHBW-UHFFFAOYSA-N 368.418 2.458 30 1 FEEF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)cc3)c(=O)n12 169718521 FKWQGSQGZUPLTK-KBPBESRZSA-N 368.393 2.453 30 1 FEEF O=C(OCC#CCN1C[C@@H]2C[C@H]2C1)C(O)(c1ccccc1)c1ccccc1 101024292 FFFPBQIUJCFZFA-OALUTQOASA-N 361.441 2.421 30 1 FEEF C=C(C)[C@H]1C[C@@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C 104351999 MFJWBSPRMQOETE-YUJGCKCYSA-N 360.450 2.298 30 1 FEEF in-man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n1nc(C(F)(F)F)c(Cl)c1-c1nc2nc(C#N)c(C#N)nc2[nH]1 587116655 KOQKXFVCVUZHDU-UHFFFAOYSA-N 352.667 2.169 30 1 FEEF COc1cc2c(cc1OC)[C@](C)([C@@H]1C(=O)C=C(C)OC1=O)N(C)[C@H](C)C2 962618185 DAEIFTUHUSQXDN-ZUNHGIIWSA-N 359.422 2.441 30 1 FEEF COc1c(C(=O)C2=CN3OC(C)=N[C@H]3N=C2)c(O)c(OC)c2occc12 40878079 XZOJINOJOBVKGC-QGZVFWFLSA-N 357.322 2.256 30 1 FEEF COC1=C[C@@]23CCN(C)[C@@H](CC2=CC1=O)Cc1cc(O)c(OC)c(OC)c13 59066648 IARVLXWJKDTDKP-SZNDQCEHSA-N 371.433 2.337 30 1 FEEF biogenic,in-vitro COC[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2cc(C#N)c(F)cc2F)CO1 147751063 COXXCFPTOCRKAL-USBNGQNGSA-N 353.394 2.145 30 1 FEEF C[C@@](CCc1ccc(-c2cccc(C#N)c2)cc1)(C(=O)NO)S(C)(=O)=O 169708122 SHCVNBIJGYJMPF-LJQANCHMSA-N 372.446 2.467 30 1 FEEF NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]1 587888245 IGTDQOZLYJAYHP-UHFFFAOYSA-N 350.205 2.131 30 1 FEEF CC(C)C1=C(O)C(=O)C2=C(C=C3OC(=O)[C@]4(C)CC[C@@H](O)C(=C2)[C@@H]34)C1=O 2356338053 LIOHNCKMCBYMAR-UFAGZECESA-N 356.374 2.061 30 1 FEEF CC=CC(=O)[C@]1(O)[C@H](C)CC[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H]1OC(=O)C(C)C 2356440778 PXWZPLIYSDTKAU-IVOJXFGXSA-N 352.427 2.038 30 1 FEEF 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O=C(NO)c1ccccc1S(=O)(=O)N1CCC(c2ccccc2)CC1 26716407 RGHANNJVNFHOMO-UHFFFAOYSA-N 360.435 2.374 30 1 FEEF CN1CCN(c2c(F)cc3c(c2F)[C@H](CCF)C=C(C(=O)O)C3=O)CC1 31996245 LGQJUNJMWFJFRF-SNVBAGLBSA-N 368.355 2.367 30 1 FEEF world COc1ccc(Cl)cc1C#CC1=C(Br)C(=O)N(C)C1=O 587912673 UYMGSTCJEANUIQ-UHFFFAOYSA-N 354.587 2.348 30 1 FEEF CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@H]1CO 95871713 CFJIAGLDRQFYKD-SBHAEUEKSA-N 367.424 2.233 30 1 FEEF CC#Cc1cc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)CO3)ccn1 149298567 ZANYLJKRBCWFFU-NRFANRHFSA-N 361.401 2.069 30 1 FEEF CC(C)C[C@H](NC(=O)c1cn(C)nn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in-man C=C1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@@H](O)[C@H]2[C@]12CCCC(C)(C)[C@H]1C[C@H]3O[C@H]2OC 2356338902 DZEDOCQBLMZSHN-QAVAIUOFSA-N 362.466 2.057 30 1 FEEF C=C(C(=O)C=CC(C)(C)O)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)C(C)=CC 2356598846 CXNVIVAMFRVJPD-PEMDQYIBSA-N 362.422 2.063 30 1 FEEF CC(=O)N[C@H](C)C#Cc1cnc(Oc2ccc(OCC(=O)O)cc2)s1 40585059 UTUQNWIFQKBUHV-LLVKDONJSA-N 360.391 2.275 30 1 FEEF N#C[C@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H](CO)N1C(=O)Cc1ccccn1 95898264 FLQYRXYGAVUNDA-QZNHQXDQSA-N 371.440 2.265 30 1 FEEF O=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C1CCCCC1 653794406 KQIMRQRKRBNZDD-ZZEZOPTASA-N 370.434 2.492 30 1 FEEF CCOC(=O)c1nn(C(=O)c2ccc(O)c(Cl)c2)c(OCC)c1C#N 587875490 VPSBGPXSRCMVDT-UHFFFAOYSA-N 363.757 2.378 30 1 FEEF CC(=O)OCC[C@@H](/C=C/C=C/C#CC#C/C=C/CO)OC(=O)C=C(C)C 14722398 CQDVFBMTEZFKKY-NVRABZTHSA-N 356.418 2.485 30 1 FEEF 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CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 8860629 GKOXNCCRDMDZRS-IBGZPJMESA-N 362.378 2.308 30 3 FEEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC[C@@H](O)[C@](C)(O)CCC2=O 2356605202 XKBRDBANUUJFAR-XVPBKVKESA-N 366.454 2.057 30 1 FEEF C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3CC=C(C(=O)CO)[C@]3(C)C[C@H](O)[C@@]12F 2356651615 UAEUTSQWOUBCLN-GRBCJTKESA-N 360.425 2.455 30 1 FEEF COCC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N 95871767 RFCFBMFMIPFQOK-NLWGTHIKSA-N 354.381 2.318 30 1 FEEF C=C[C@]12C[C@H](OC(=O)/C(C)=C\C)[C@H]3C(=C)C(=O)O[C@@H]3[C@H]1C(=C)CO[C@H]2O 238761153 YCUMYYHWRRPIJB-YVYQHCFGSA-N 360.406 2.059 30 1 FEEF biogenic C=C[C@](C)(O)C[C@H](C=C(C)[C@@H](C[C@H](O)C(=C)C)OC(C)=O)OC(C)=O 2356653640 NOIGSFFNIFVFAI-OKYOBFRVSA-N 354.443 2.450 30 1 FEEF COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O 31460147 XLWYWPDYNLZUJS-VQTJNVASSA-N 359.422 2.136 30 1 FEEF biogenic,in-vitro CCNc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887585 SVDKFOHPYZECDP-UHFFFAOYSA-N 363.248 2.926 30 1 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354.406 2.104 30 1 FEEF O=C(N[C@@H](Cc1ccccc1)[C@@H]1CO1)[C@H]1CCCN1C(=O)c1ccccc1 26719647 QGIWKZQJBHDPSS-ZCNNSNEGSA-N 364.445 2.418 30 1 FEEF COC(=O)COc1ccc(Oc2ncc(C#C[C@H](C)NC(C)=O)s2)cc1 36185020 BISBOKFFSZCPOT-LBPRGKRZSA-N 374.418 2.363 30 1 FEEF N#C[C@@H]1C[C@@H](CN)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 222970273 WBDTWCPQCHHYKA-MKBNYLNASA-N 356.405 2.304 30 1 FEEF COCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1C#N 95898008 QCLTUJIBAMFGJE-NLWGTHIKSA-N 354.381 2.318 30 1 FEEF C=CC[C@]12C[C@H](O)C(=O)[C@H]([C@@H]1O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C 238743216 NRISBUYAZVOBNT-FXRWEGPLSA-N 360.406 2.031 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc(-n2nnc(C(N)=O)c2N)cc1 587907027 BRRLADUIGGBBNX-UHFFFAOYSA-N 367.796 2.010 30 1 FEEF N#Cc1cccc(-c2ccn3c(C(=O)N[C@@H]4CCN(C#N)C4)cnc3c2)c1 1857570445 IRVIHSNOWWEOQC-QGZVFWFLSA-N 356.389 2.158 30 1 FEEF C=C1C[C@@]23CC[C@@]1(O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 2356776745 WGYAERWVUYZRAO-SMFGWGFPSA-N 362.422 2.255 30 1 FEEF COC(=O)[C@@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 221848029 FKIICIGSBKQIRU-IOASZLSFSA-N 367.409 2.380 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)[C@H](C)CC)C[C@@H](CO)CC/C=C(\C)[C@H]2O 238744867 GVSRLFWWDZXDPH-XHSDOVJDSA-N 366.454 2.142 30 1 FEEF CCc1c(C)c(C#N)c2nc3ccc(NC(=O)[C@H]4CCNC4)cc3n2c1O 621431725 ACWMLVGRMBOGRO-LBPRGKRZSA-N 363.421 2.484 30 1 FEEF COC1=CC=C/C(=C\NNC(=S)N[C@@H]2C[C@@H]3C[C@H]2[C@H]2C=CC[C@H]32)C1=O 137364890 XOMLECDFUIAPBX-QWIHVSENSA-N 357.479 2.109 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(C)\C=C/[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 238776113 VDQCKUZZTGKPLY-XDJUAZQQSA-N 360.406 2.237 30 1 FEEF NNCc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587888967 UXQIGQQOCUECPT-UHFFFAOYSA-N 363.248 2.062 30 1 FEEF CC(C=CC(O)=C1C(=O)N[C@H](Cc2ccc(O)cc2)C1=O)=C[C@H](C)[C@H](C)O 2356343437 PJJOESIMAAZBQS-GRDNDAEWSA-N 371.433 2.334 30 1 FEEF C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)cc1OC 101698842 YJUKSWDGFSKNDG-DPEHCCBOSA-N 357.370 2.358 30 1 FEEF O=[N+]([O-])c1ccc(S(=O)(=O)N2CC#Cc3ccccc3C#CCC2)cc1 27982116 AIWBQXDDASAVST-UHFFFAOYSA-N 366.398 2.392 30 1 FEEF N#Cc1ncc2nc1OCC/C=C\COc1ccc(O)cc1NC(=O)N2 28826094 SYPTWERBNSJDIK-UPHRSURJSA-N 353.338 2.415 30 1 FEEF C=C1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)C(=O)CC[C@](C)(C(=O)OC)[C@@H]1C[C@H]3O 2356339714 VCVUJQJODGVLDL-JEZMRLRCSA-N 360.450 2.457 30 1 FEEF O=C1C(Cl)=C(N2CCN(c3ccccn3)CC2)C(=O)c2ncccc21 31853955 RKFBAYFKEIDQFV-UHFFFAOYSA-N 354.797 2.128 30 1 FEEF COc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O 43071191 HSVXGLULRFBTRE-SILNSSARSA-N 358.325 2.426 30 1 FEEF O=[N+]([O-])c1ccccc1C=NNC(=S)NN=Cc1ccccc1[N+](=O)[O-] 261138885 MSEWEKWTCRFOSN-UHFFFAOYSA-N 372.366 2.335 30 3 FEEF Cn1cc(-c2ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NO)cc2)cn1 653799338 LUWKRCZUYMVAJP-HNNXBMFYSA-N 360.414 2.028 30 1 FEEF CCNC(=N)N/N=C/c1ccc(OCc2cn3cc(C)ccc3[n+]2C)cc1 26834089 ZAVPIOLWVUCBAG-FOKLQQMPSA-N 365.461 2.119 30 1 FEEF C=C1C[C@@]23C[C@H]1C(=O)C[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O 2356506016 XHTGFCMYAVKICC-PSHDOIFZSA-N 362.422 2.111 30 1 FEEF C=C[C@]1(C)C(=O)C=C([C@@](C)(O)COC(C)=O)C[C@H]1C(=C)COC(C)=O 14781687 FRTWIOLVDNAYBY-WDSOQIARSA-N 350.411 2.128 30 1 FEEF biogenic CC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)c1ccc(C=O)s1)C(C)C 40411334 QMGKYMPADZTDHG-WFASDCNBSA-N 352.456 2.045 30 1 FEEF C#C[C@]1(O)[C@@H](O)C[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3[C@@H](OC)C[C@@]21C 238758308 LQMBBJSVJDBNNB-VFJYMGBXSA-N 372.461 2.217 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3O[C@@](O)(C=C3C)C[C@H](C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 257378915 APAGAPSSCPWRAW-DOOFQRQISA-N 362.422 2.426 30 1 FEEF biogenic COc1ccc(CN(CC(=O)NO)Cc2cccc(C(=O)O)c2)cc1F 1857761662 VILVVLWPHRVWPK-UHFFFAOYSA-N 362.357 2.040 30 1 FEEF C[C@@H]1CC(=O)[C@]2(C)[C@]3(C)O[C@@H]3CC[C@]2(O)[C@]12C(=O)O[C@H]2Cc1ccoc1 2356451535 JIOWDKSKWPTSCY-AVJREPHBSA-N 360.406 2.032 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@H]12 2356578929 KVJTZBSGBYRUOR-TWGXZMITSA-N 364.438 2.204 30 1 FEEF C=C1C[C@@]23C[C@H]1C(=O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 2356764874 SEDBAGHKXIEGAI-NURUDRBBSA-N 360.406 2.319 30 1 FEEF COC(=O)[C@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 221848086 FKIICIGSBKQIRU-ZENOOKHLSA-N 367.409 2.380 30 1 FEEF C=C1CC[C@]2(C)[C@@](C)(O)C(=O)CC[C@]2(O)[C@@]12C[C@H](c1ccoc1)OC2=O 238752086 FYPGPQFZDQDWEI-JIKAWYKTSA-N 360.406 2.455 30 1 FEEF C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@]12O[C@@H]1[C@H](O)C(CO)=CC2=O 257774415 ZJZYSAJQOPJREK-YYXLVKOYSA-N 374.477 2.354 30 1 FEEF endogenous,in-man N=C(N)N/N=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 653774486 DZLFCNGRHLXUEJ-OLZWLBHHSA-N 354.326 2.404 30 1 FEEF C[C@@H]1CC/C(=N\N=C2/SCC(=O)N2CN2C(=O)c3ccccc3C2=O)C1 653794384 CNUURHDBOOURCP-HENUWBKGSA-N 370.434 2.348 30 1 FEEF CCCn1c(=C(C#N)C#N)s/c(=C2/C=Cc3ccccc3N2CC)c1=O 13116444 GGPGSIWZJAHUDJ-ZCXUNETKSA-N 362.458 2.179 30 1 FEEF N#Cc1c(O)nc(N2CCN(c3ccccc3)CC2)nc1-c1cccnc1 3649613 HQXFLJIDCQKWQR-UHFFFAOYSA-N 358.405 2.442 30 1 FEEF CCCOC(=O)c1ccc(OC2=CNN/C2=C2\C=CC(=O)C=C2O)cc1 100492679 GSSKDVNNLHMCFC-OBGWFSINSA-N 354.362 2.416 30 3 FEEF COC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587599324 FKGWHYIXQMSDMB-BFUOFWGJSA-N 354.314 2.180 30 1 FEEF CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(OCC(=O)N(C)C)cc12 13741860 PZQJFEIYVQHRAY-FSJBWODESA-N 372.473 2.063 30 1 FEEF N#CCNC(=O)[C@@H](CC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 34056061 ZCTSLQZUVSVXEH-QGZVFWFLSA-N 372.425 2.437 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)[C@H](O)/C(C)=C/CC[C@@]1(C)O[C@H]21 523042187 QGMPZWRIDXSGGX-BOLAOMFUSA-N 362.422 2.221 30 1 FEEF biogenic COCC#Cc1cc(O[C@@H](C)COC)cc(C(=O)Nc2ccn(C)n2)c1 473120499 DKVKMRIPGMRAQU-AWEZNQCLSA-N 357.410 2.084 30 1 FEEF CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@@H](C#N)C3)n2)cc1 169706359 XVGBLRCJWRIMHH-JXFKEZNVSA-N 373.460 2.293 30 1 FEEF N#Cc1cccc(-c2ccnc(NC(=O)[C@]3(F)CN(C#N)CCO3)c2)c1 1857584765 MLYAKAUEIQOMOV-SFHVURJKSA-N 351.341 2.038 30 1 FEEF O=C(O)[C@@H]1CCCN(CCO/N=C/c2c[nH]nc2-c2ccc(F)cc2)C1 1857592982 WXFQMAFURRNSEM-VPNURPJOSA-N 360.389 2.363 30 1 FEEF O=C1C=C(NCOCc2cn(-c3ccccc3)nn2)C(=O)c2ccccc21 103131116 BNJADDRQNCTONK-UHFFFAOYSA-N 360.373 2.294 30 1 FEEF Cc1ccc(N2C[C@]23C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)cc1 72178921 RMLFHPAXDDVJBO-OJLSYCMTSA-N 367.445 2.402 30 1 FEEF Cn1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1/C=C/C(=O)NO 40393387 USZQNGSQWHZMSE-XIIDOLPRSA-N 354.362 2.211 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(C(=O)O)nc1 587887649 WTPOMAMEYPIWGV-UHFFFAOYSA-N 364.188 2.192 30 1 FEEF Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)NCC#N)c1 13470927 GPDXFJXVSTUWRY-KRWDZBQOSA-N 357.360 2.254 30 1 FEEF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C#Cc1ccco1 28476007 PRLLUPZZVVWCFD-VLKKHCNFSA-N 374.433 2.107 30 1 FEEF C[n+]1c(-c2ccc(/C=N/NC(=N)N)cc2)c(Br)n2ccccc21 26833436 FHWOFFIBRCRERL-KEBDBYFISA-N 372.250 2.010 30 1 FEEF CC[C@@H]1C[C@H](C)C(=O)C=CC=CC[C@H](C)OC(=O)C[C@H](O)[C@@H](OC)[C@@H]1O 2356632967 VWVDRJWACDDRKD-ZZDOITAVSA-N 368.470 2.183 30 1 FEEF C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O 72138379 QRZRYFAMPKMZQR-NRTURECCSA-N 362.466 2.249 30 3 FEEF CCOC(=O)c1nn(-c2cncc(Br)c2)c(OCC)c1C#N 587875427 FZLUOXRVDCLWPN-UHFFFAOYSA-N 365.187 2.477 30 1 FEEF C#CCOc1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1 587564909 ZBAOJKKSQPPKPV-UHFFFAOYSA-N 355.419 2.492 30 1 FEEF CC/N=C(/NC#N)NCCCCn1nc(-c2ccccc2)c(C)cc1=O 27208612 VVUPMIPVPWYMAH-UHFFFAOYSA-N 352.442 2.035 30 1 FEEF CC1(C)[C@H]2CC[C@@]3(CO3)[C@@H](CC=C3C(=O)OC[C@@H]3O)[C@@]2(C)CC[C@H]1O 2356535243 RAQQINDVFHKETO-KQDWJIRRSA-N 350.455 2.203 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)CC(C)C)[C@H]12 2356649327 JENRVVOVQAIGRV-COIUTNFUSA-N 364.438 2.301 30 1 FEEF CC(C)C1=C[C@H]2[C@@](O)(CC[C@@]2(C)O)[C@@]2(C)CC[C@H]3O[C@@]3(CC1)C(=O)O2 2356788976 CSSYDBJXVRYEER-MSPXFKQSSA-N 350.455 2.488 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 238764468 DZTWAOVNNLDWNH-VOOXGBEXSA-N 362.422 2.221 30 1 FEEF C[C@@]1(CC(=O)ON2C(=O)CCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587517877 WRBLJFWPFKMKRK-FQEVSTJZSA-N 371.389 2.287 30 1 FEEF C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(C(=O)N4CCO[C@H]41)[C@H]2C[C@H]3O 169312924 BHFFBTFLVBTKFH-YCGNQCEPSA-N 371.477 2.284 30 1 FEEF C=C(CCC(=O)OC)[C@@H]1CC[C@@](C)(O)[C@@H]1COC(=O)CCC(=O)OCC 2356523144 ITMUYAPLCIMATN-QMTMVMCOSA-N 370.442 2.160 30 1 FEEF CCS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95898194 FWARPLPHHGVTHJ-CEXWTWQISA-N 374.437 2.495 30 1 FEEF N#Cc1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)cc2C(N)=O)cc1Cl 1772589597 ZFEDARIKGLHKFD-ABAIWWIYSA-N 370.800 2.352 30 1 FEEF C=C[C@@]1(C)C[C@@]2(C=C(CO)[C@H](O)O2)Oc2c1c(=O)oc1cccc(C)c21 5954894 PBJOCNBYKSMQMJ-HOJAQTOUSA-N 356.374 2.291 30 1 FEEF CCOC(=O)c1sc2ncn(NC=C3C=CC(=O)C=C3)c(=O)c2c1C 13130528 GBIUPWKVVLNAJM-UHFFFAOYSA-N 357.391 2.066 30 3 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)/C=C/[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 101574245 AXSMKFJOTFGINI-OITUZVTNSA-N 360.406 2.189 30 1 FEEF C=CCNC(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 103264671 SZPMQCHHIMZFNX-OAHLLOKOSA-N 370.450 2.238 30 1 FEEF O=C1Nc2ccc(F)cc2/C1=N/NC(=S)Nc1ccc([N+](=O)[O-])cc1 28651431 AVFPMCPAUHPUCC-UHFFFAOYSA-N 359.342 2.377 30 1 FEEF CC1=C(C)C2=CC(=O)c3c(O)c(C[C@@H](C)O)c(O)c(O)c3[C@]2(C)CC1=O 14659973 RHZKGSAKRGMZTK-ZPWHCFADSA-N 358.390 2.416 30 1 FEEF biogenic CC(C)C[C@@H](NC(=O)c1ccc(-c2csc(N)n2)cc1)C(=O)NCC#N 82061214 ZSHICPCPHWASFG-CQSZACIVSA-N 371.466 2.177 30 1 FEEF O=C(O)CCSC1=C(SCCC(=O)O)C(=O)c2ncccc2C1=O 42920274 PFUFYMORJBXZLH-UHFFFAOYSA-N 367.404 2.088 30 1 FEEF N#Cc1cccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)cc2)n1 221941343 SHQPSFNSEFGFHA-NZGUISNBSA-N 371.444 2.312 30 1 FEEF C[C@H]1CCC[C@@]2(O1)O[C@H]1CC(=O)O[C@H]1C1=C2C(=O)c2ccccc2C1=O 96906618 OEUYGKAVYFGZFF-QAVLDUTCSA-N 354.358 2.362 30 1 FEEF 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O=C(/C=C/c1ccc2c(c1)C(=O)CC1(CN(Cc3ccccc3)C1)O2)NO 116484488 NDAJFTVGQBLUIX-VQHVLOKHSA-N 364.401 2.425 30 1 FEEF N#CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 82064651 DUNRKZSUXDJKSH-INIZCTEOSA-N 358.398 2.303 30 1 FEEF CC(=O)OC/C=C/C#CC#C/C=C\C=C\[C@@H](CCOC(C)=O)OC(C)=O 238751273 FHMJPDDYIZJLRC-PUYRJQRLSA-N 358.390 2.110 30 1 FEEF N#CC[N+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 27517666 KVYFZISXHXCPGM-ROJZRYHKSA-N 374.464 2.131 30 1 FEEF C=C(C)[C@@H]1C[C@H]2O[C@@]1(O)C(=O)[C@@H](C)CC(=O)C=C(C)C[C@H]1C=C2C(=O)O1 2356690807 LJQPUSXPSUZLOQ-UTLOCHQNSA-N 360.406 2.022 30 1 FEEF N#Cc1cccc(-c2cc(NC(N)=O)c(C(=O)N[C@H]3CCCNC3)s2)c1 84672387 RUWBTIZNEFLZEZ-ZDUSSCGKSA-N 369.450 2.259 30 1 FEEF COCC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2cccc(OC)c2)[C@@H]1C#N 95667751 SUFCUMOIBOTACO-QKNQBKEWSA-N 366.417 2.187 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 257412059 DZTWAOVNNLDWNH-PFEJDDOESA-N 362.422 2.221 30 1 FEEF biogenic C#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC1(C3)OCCO1 26494149 YLZBNNDOEUIHFB-UHFFFAOYSA-N 358.419 2.209 30 1 FEEF C[C@@H]1CCC[C@@H]2O[C@@H]2COc2ccc(cc2)C[C@H]2NC(=O)C(=C1O)C2=O 2356570545 MMJLIEREEJXFMU-BQDHKBFISA-N 357.406 2.075 30 1 FEEF C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CN3c2ccccc2)[C@]2(C)C(=O)C=C[C@@]12O 72179323 PERJGWPROHNOFB-NWDBWRJQSA-N 353.418 2.093 30 1 FEEF CCC#CC[C@H](C)[C@@H](O)C#C[C@H]1[C@H]2C/C(=C\COCC(=O)O)C[C@@H]2C[C@H]1O 39624050 ARUGKOZUKWAXDS-KVRBSQKXSA-N 374.477 2.225 30 1 FEEF N#CCNC(=O)[C@@H](CCSc1ccncc1)NC(=O)c1ccccc1 82064844 SETATKRHEBNCHR-MRXNPFEDSA-N 354.435 2.002 30 1 FEEF C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(C=O)C(=O)OC 238763373 CDFHBKIBEYUUMZ-CEOWECDHSA-N 366.417 2.436 30 1 FEEF CC(=O)O[C@@H]1C[C@H](c2ccccc2)OC2=C1C(=O)C(C)(C)[C@@H](O)[C@@]2(C)O 238773220 ICCZVVDZXBQQBA-JSOPPFHZSA-N 360.406 2.055 30 1 FEEF N#Cc1cccc(-c2cc(NC(=O)[C@]3(F)CCCN(C#N)C3)ncn2)c1 1857566824 YSPXRIXJFLGJQV-SFHVURJKSA-N 350.357 2.239 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC[C@](C)(O)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356425231 ATUPZONNYSDDBY-RXFYRGCNSA-N 364.438 2.204 30 1 FEEF CC(=O)O[C@@H]1C=CC(=O)O[C@H](C)CCC(=O)C=CC(=O)O[C@H](C)CC1 2356658519 UXRNECNLNMQCRR-IOASZLSFSA-N 352.383 2.037 30 1 FEEF C[C@@H]1CC/C(=N\Nc2ccccc2[N+](=O)[O-])c2ncc(C(=O)O)c(=O)n21 40828597 WOJCZBOLUHMELI-GYXABCNZSA-N 357.326 2.021 30 1 FEEF CC=C(C)C(=O)O[C@@H]1C[C@@H]2O[C@]23C[C@]2(O)OC(=O)C(C)=C2C[C@@]3(C)[C@H]1C 2356611413 WATSLMNLAKJSBJ-QIRLLYKMSA-N 362.422 2.404 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)C=C[C@](C)(O)C[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356669331 XUPGTXZVXSSFBQ-GHBLTHGWSA-N 362.422 2.268 30 1 FEEF COc1ccc(/C=N/OC(=O)CN2CCOCC2)cc1OC1CCCC1 45317932 SPLAWTRTUNALEL-DEDYPNTBSA-N 362.426 2.226 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C=C(C)C)C(C)=CCC[C@]1(C)O[C@@H]21 263638909 XYEXFSWBSVHZOV-LAIFEGOXSA-N 362.422 2.221 30 1 FEEF Nc1nc(O)c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 587090538 XRVCSDOPTQMDLD-UHFFFAOYSA-N 369.147 2.565 30 1 FEEF C[C@@H]1CCCCN1Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 169714650 NIQPAMHDTUHHRU-MRXNPFEDSA-N 368.485 2.121 30 1 FEEF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCC#N)cc1 4043424 QBGGXOSBQHYCEJ-SJLPKXTDSA-N 352.394 2.467 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)/C(C)=C/C)[C@]1(O)CCC(=O)[C@@]21C 28639123 NUZCELOKUVBKSF-HRTGYMJISA-N 362.422 2.104 30 1 FEEF CC(=O)O[C@@H]1C=CC(=O)O[C@H](C)CCC(=O)C=CC(=O)O[C@@H](C)CC1 2356658520 UXRNECNLNMQCRR-WWGRRREGSA-N 352.383 2.037 30 1 FEEF Cc1ccccc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12 73199326 JSFCUASRHHWATA-YBFXNURJSA-N 353.407 2.169 30 1 FEEF C=C1[C@H]2CC[C@]3([C@H]1O)[C@H](O)C[C@H]1[C@@]4(CCC[C@@]1(C)CN(CCO)C4)[C@H]3C2 256440951 LAGBIQKFHSDYJZ-BPZVCCRHSA-N 361.526 2.185 30 1 FEEF N#Cc1cccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587203019 MOCSCJKDSDQBFD-HNNXBMFYSA-N 364.361 2.357 30 1 FEEF C=C(C(=O)C=CC(C)(C)O)[C@@H]1C[C@@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)C(C)=CC 2356598847 CXNVIVAMFRVJPD-WBZSCFCESA-N 362.422 2.063 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(C)[C@H](O)CC[C@H](OC)[C@H]21 2356617466 DTBOAACTTLIOGS-YPGIJBAISA-N 364.438 2.158 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](O)[C@H](OC(=O)C[C@]3(C)CO3)[C@H]12 2356628398 RFEARFCDESDICQ-UVNCQSPWSA-N 362.422 2.222 30 1 FEEF CN(Cc1nc2cc(C#N)c(C#N)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171401 YUPXYFBTTWAMQE-UHFFFAOYSA-N 369.381 2.266 30 1 FEEF CC(=O)Oc1ccccc1C(=O)Nc1ccc(/C(C)=N/NC(=N)N)cc1 1772646100 LLUDDUBBYDUXQH-SSDVNMTOSA-N 353.382 2.071 30 1 FEEF C#CCN1C(=O)COc2cc(F)c(N3C(=O)c4ccc(C)cc4C3=O)cc21 38224562 MVMWYLQRRYQZNK-UHFFFAOYSA-N 364.332 2.293 30 1 FEEF Cc1ccc(S(=O)(=O)Nc2cccc(C#C/C=C/C(=O)NO)c2)cc1 13604334 MMNHSHATJJAWBZ-FPYGCLRLSA-N 356.403 2.209 30 1 FEEF C=C(CCO)C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C\[C@H]2OC(=O)[C@H](C)[C@H]12 169358652 DTSRWZQRWMWHDL-OPWAIODASA-N 364.438 2.063 30 1 FEEF C[C@](CCc1ccc(-c2ccc(C#N)cc2)cc1)(C(=O)NO)S(C)(=O)=O 207493364 YWHOFPDGCOTMNB-IBGZPJMESA-N 372.446 2.467 30 1 FEEF C=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1C[C@]12O[C@H]1C(=O)C(CO)=CC2=O 1857617453 DMFJIFKRJZSYLK-OQEMLODOSA-N 374.477 2.354 30 1 FEEF C=C1C(=O)[C@@]23[C@@H](C=C[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O 103240338 DXZQQHDOMLKRCR-OACISFLYSA-N 374.477 2.414 30 1 FEEF CCN1C(=O)N(CC)[C@H]2NC(=O)N(/N=C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]21 1857640827 SJYUPBYYTUDNBV-PFIXCMSXSA-N 372.385 2.049 30 1 FEEF COC(=O)[C@H](Cc1ccc(OCC=C(C)C)cc1)N(O)C(=O)C(C)=NO 2356334981 RCHYEYQIAQKMMP-INIZCTEOSA-N 364.398 2.184 30 1 FEEF C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CC#N)OCO3 25987630 WDZUIJUSJQYJTA-LBPRGKRZSA-N 362.389 2.437 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)CC/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)[C@H](O)[C@@H]12 238772125 OVQGHLVSAXKUJP-WRKOJOCHSA-N 364.438 2.301 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C([C@@H](O)c3ccccc3)C(=O)[C@@]21C 96903243 PDKZCKXVSJGPRP-VOLWTCJWSA-N 368.429 2.494 30 1 FEEF CCOC1=C/C(=C/NNc2cc(C)nc(-n3nc(C)cc3C)n2)C=CC1=O 13119099 JPIUXZTUGXHWFW-RVDMUPIBSA-N 366.425 2.447 30 3 FEEF CC=C(Br)C1=C(Cl)C(=O)[C@]23C[C@H]2C(C)(C)O[C@@]3(O)C1=O 2356386934 AHZMOBNOWMRQQO-GTNLGMRDSA-N 361.619 2.434 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)CC(C)=CCC[C@]1(C)O[C@@H]21 2356505391 CQZUJMJORLOTCJ-SUFIHLRJSA-N 362.422 2.222 30 1 FEEF C#CCn1c(C(=O)O)c(I)c2cc3c(cc21)OCO3 1911584246 WLLPTDOUVUYDNK-UHFFFAOYSA-N 369.114 2.306 30 1 FEEF C#C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc2ccccc2c1 2356567200 LYYAOIOMXZYARV-MNEFBYGVSA-N 354.475 2.462 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)C[C@H]12 6481540 MKEUEUUTTBUCBV-KJYOQZIKSA-N 350.411 2.404 30 1 FEEF biogenic COC(=O)COc1ccc(Oc2ncc(C#C[C@@H](C)NC(C)=O)s2)cc1 36185021 BISBOKFFSZCPOT-GFCCVEGCSA-N 374.418 2.363 30 1 FEEF COC1=CC(=O)C=C(OC(C)=O)[C@]12Oc1c(Cl)c(C)cc(O)c1C2=O 238760734 GSGCOMBHGZOIMM-QGZVFWFLSA-N 364.737 2.228 30 1 FEEF COc1ccc(C#Cc2ccccc2C(=O)O)cc1Cc1cnc(N)nc1N 13559768 KOQCZRWUQXZQNK-UHFFFAOYSA-N 374.400 2.338 30 1 FEEF COc1ncc(C#Cc2ccc(C[C@H](C)NC(=O)C3CC3)cc2)c(OC)n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c2ccccc2C1=O 653795290 ROOQSRXJKZETAQ-ONMBGNKZSA-N 358.423 2.348 30 1 FEEF C=C1C[C@H](OC(=O)/C(C)=C\C)[C@H]2[C@H](C=C(C)CC[C@@H]1O)OC(=O)[C@@]2(C)O 1857633686 YMBPLAQTKFHJHK-DQRXCJHUSA-N 364.438 2.204 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356467731 BHVWUHGFYATMKC-VIZXDVGDSA-N 364.438 2.301 30 1 FEEF C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@]2(C)CC(=O)[C@@H](CC(=O)C1)O2 140425257 CCRQLJVTUBLUBL-UVUYTSAVSA-N 362.422 2.497 30 1 FEEF C/C(=N\NC(=S)Nc1ccc(C(=O)NCC(=O)O)cc1)c1ccccc1 96921916 KITMGJWHNRHJPG-CIAFOILYSA-N 370.434 2.212 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1[C@@H](O)[C@H](OC(=O)/C(C)=C\C)/C(C)=C/CC[C@]1(C)O[C@H]21 238745803 NUBGOYZTSZAMIY-HDTPRVSESA-N 362.422 2.221 30 1 FEEF CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@H](C#N)C3)n2)cc1 142352340 XVGBLRCJWRIMHH-OXJNMPFZSA-N 373.460 2.293 30 1 FEEF CCOC(=O)c1c(C)[nH]c(=O)c(C#N)c1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103278260 VJXZIMXZOUWCJZ-UHFFFAOYSA-N 372.293 2.215 30 1 FEEF C=C(C)[C@@H](O)CC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(C)=O)C=CC2=O 28567026 UPJWEYWAFSPGPI-MIEZBSPFSA-N 362.422 2.413 30 1 FEEF Cc1cc(C)cc(S(=O)(=O)N2CCC(CCCC(=O)NO)CC2)c1 73140449 NXOCZJVJGLIAEB-UHFFFAOYSA-N 354.472 2.380 30 1 FEEF C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]3(C)C[C@H]12 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C=C[C@H]1[C@@H]2C(C)=C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@H]23)N1Cc1ccc(OC)cc1 100264331 UAYXBCPBZQTGNQ-XCDZQEORSA-N 352.434 2.241 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)CC(C)C)C(C)=CCC[C@@]1(C)O[C@@H]21 2356518485 ROXAJHABJATWNH-QMWWYVJASA-N 364.438 2.301 30 1 FEEF C=C1NN(C)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587773455 YUNVTDOVISWZQI-VXJOIVPMSA-N 354.223 2.198 30 1 FEEF N#Cc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1C#N 586919969 JSYLYBKYWSYRDA-UHFFFAOYSA-N 367.346 2.188 30 1 FEEF COC1=C(OC)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587599325 FKGWHYIXQMSDMB-DJJJIMSYSA-N 354.314 2.180 30 1 FEEF C=CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 169340696 BROWNNXHVRFYRI-OAQYLSRUSA-N 360.369 2.246 30 1 FEEF CCO[C@@H]1Oc2ccccc2C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1 72111431 AVQUFASKLOBGCJ-HAZIXKIPSA-N 374.418 2.268 30 1 FEEF CN(C)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)[C@@H](C#N)C1 222975095 DKVUTGLTXOUOQO-KYOSRNDESA-N 371.420 2.055 30 1 FEEF CCCC#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 95897962 NAAUMJMVSZXHSJ-HBMCJLEFSA-N 366.461 2.444 30 1 FEEF CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc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c2cnn(-c3nc(O)c4c(n3)CCC4)c2)CC1 1857586626 LKYJRRLGVMAQCF-UHFFFAOYSA-N 366.425 2.013 30 1 FEEF C=C1C(=O)O[C@@H]2CC(CO)=CCC[C@H](CO)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356438673 OOKRHFBXNRLUNX-DZOHQFGASA-N 364.438 2.063 30 1 FEEF CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@H]2C=C(C)CC=CC(C)(C)O)C1 2356444137 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C=C1C(=O)O[C@H]2C=C(C)[C@@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 299806896 DZTWAOVNNLDWNH-BXRPTICPSA-N 362.422 2.221 30 1 FEEF COC1=C(OC)[C@]2(C=CC1=O)NCCc1cnc3c(OC)cccc3c12 963048008 QTPXMTFKPWMEIG-HXUWFJFHSA-N 352.390 2.228 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(COC(=O)[C@H](C)CC)CCC=C(CO)C[C@H](O)[C@H]12 2356417648 HUNFBQHAFCSAPW-IUHNQTRMSA-N 364.438 2.063 30 1 FEEF CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCN 66101052 IINTYVBGDHAPKW-KRWDZBQOSA-N 365.522 2.043 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)c3ccoc3)[C@H]12 2356751244 WWQBWBDEAHIHFL-OLPWTBESSA-N 374.389 2.161 30 1 FEEF COc1ccc2nc(N(C)CCCN(C)C)nc(N(C)CCC#N)c2c1 1911575305 OEFWTOKUTRQYEV-UHFFFAOYSA-N 356.474 2.376 30 1 FEEF N=c1nc[nH]n2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 587888773 NTEKIACCIVESOO-UHFFFAOYSA-N 374.231 2.159 30 1 FEEF C[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)C(=O)C=CC(C)(C)[C@H]1C(=O)O 13339278 DNNHFMISYIEDCK-CVJNVCKBSA-N 360.406 2.017 30 1 FEEF biogenic,in-vitro C[C@](O)(COc1ccc(F)cc1C#N)C(=O)N1CCc2c(C#N)cccc21 169313291 WDYAMQDMOIBNMY-FQEVSTJZSA-N 365.364 2.288 30 1 FEEF N#CC1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1857565061 ZTVVBJSLBZEJEI-UHFFFAOYSA-N 369.446 2.032 30 1 FEEF COc1cc(OC)cc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1 1652633 AHYHDQBLPQHRNR-UHFFFAOYSA-N 366.333 2.370 30 1 FEEF CC(C)n1nc(O[C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@H]2O)ccc1=O 26665623 OXWLFVMSUSUYGX-MSOLQXFVSA-N 355.394 2.348 30 1 FEEF COc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCOCC3)=C(O)C2)cc1 101728858 YPQALWDGDMCAOA-ZFMLPXDISA-N 358.438 2.357 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H]1O[C@@](C)(CCC[C@@H]1C)[C@@H]2OC(=O)CC(C)C 2356294805 DTEQAWCMFIXGNE-GYKMQBSMSA-N 366.454 2.381 30 1 FEEF C[C@@H](C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1 10450333 MZVLMIXJVBDTOG-LBPRGKRZSA-N 368.842 2.425 30 1 FEEF C=CC[C@H]1[C@H]2C[C@H]3CN1[C@H]1CCC(=CNC(C)=O)[C@H]2N1[C@H]3CCCCO 2356779560 AJLGFIUHZYHQNA-NXMWLWCLSA-N 359.514 2.238 30 1 FEEF C=C(C)[C@@H]1CC(=O)C[C@@H]2O[C@](C)(CC2=O)C[C@@H]2C=C(C(=O)O2)[C@@H](OC)C1 40876438 ZLDOSIVXLFPCIZ-YMPZZIEYSA-N 362.422 2.305 30 1 FEEF C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 238769217 ABTNJGAZZKYLLD-LBLZBDACSA-N 362.422 2.111 30 1 FEEF CC[C@@H]1C[C@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O 238774068 VWVDRJWACDDRKD-VLNVDPHXSA-N 368.470 2.183 30 1 FEEF Cc1cc2c(cc1O)/C(=C\c1cccc(/C=N/NC3=NCCN3)c1)C(=O)N2 1857571795 HMFAIWCUBLTXGN-CSPWUFIUSA-N 361.405 2.076 30 1 FEEF C=C1C[C@H](OC(=O)C2=C[C@H](OC)OC2)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)[C@H]2C[C@H]12 2356322113 XFPZGEOIWPLKLK-WVXCVLBUSA-N 372.417 2.467 30 1 FEEF C=C1C(=O)O[C@@H]2CC(CO)=CCC[C@H](CO)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356438674 OOKRHFBXNRLUNX-HPBDAGMYSA-N 364.438 2.063 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/CO)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 85927624 SGOMJRGREDEDDZ-DJKWAXPNSA-N 364.438 2.063 30 1 FEEF O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccncc2)c2ccccc2c1=O 473128380 ZGVIIODDZUMPRM-MFOYZWKCSA-N 350.330 2.154 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H]3C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 263608632 UEFXHAIMDIUNBV-HRFDKHAYSA-N 362.422 2.221 30 1 FEEF C=C(C(=O)O)[C@@H]1CC[C@](C)(O)[C@H](O)CCC(=C)[C@H]2CC[C@@](C)(O2)[C@H](O)C1 2356808680 ZBKLCENNVKUQNN-QHLWVNNFSA-N 368.470 2.174 30 1 FEEF Cc1ccc(S(=O)(=O)N2Cc3cnnn3-c3ccccc3[C@H]2C#N)cc1 61942523 LRVQSRLZMKVDSY-GOSISDBHSA-N 365.418 2.345 30 3 FEEF CC1=CC(=O)O[C@H](/C=C(\C)[C@H](O)C[C@@H](O)[C@H](C)C2=CC(=O)C(C)(C)O2)C1 238785027 AHEIFTPGTZGXOJ-IKAVZUBFSA-N 364.438 2.204 30 1 FEEF COC(=O)COc1ccc(-c2ccc(/C(C)=N/NC(N)=S)cc2)cc1 1857750205 LNEOKWTUEMPACN-UDWIEESQSA-N 357.435 2.463 30 1 FEEF C=C1CC[C@H]2[C@@]34CCC[C@@]2(C)C(=O)O[C@@H]3O[C@H](C2=CC(=O)O[C@H]2O)C[C@@H]14 2356424657 ZRXPKIJUPUKYSG-XPJBPGMISA-N 360.406 2.219 30 1 FEEF C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cccc(OC)c1OC 101663521 QLGOGGVEFRMSLJ-BXWAGETQSA-N 357.370 2.358 30 1 FEEF O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1C(=O)/C=C(\O)C(=O)O 101394560 VGZXFIUFYHDZRG-CYPPJGAXSA-N 369.329 2.459 30 1 FEEF C=CC[C@@]12C[C@H](O)C(=O)[C@@H]([C@H](c3cc(OC)c4c(c3)OCO4)[C@@H]1C)[C@H]2O 2356462330 NRISBUYAZVOBNT-UFSRUCIPSA-N 360.406 2.031 30 1 FEEF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(C=O)C(=O)OC 2356631034 NOKTUSVPNZHPFL-XCBAANBCSA-N 350.418 2.423 30 1 FEEF N#Cc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1C#N 587269196 ICJJZPJCYUATNB-UHFFFAOYSA-N 356.305 2.462 30 1 FEEF C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1O 2356336439 KVMXRGWWWCLFGT-OPDVNDSFSA-N 350.455 2.309 30 1 FEEF C=C1C(=O)O[C@@H]2C/C(CO)=C\CC[C@@H](CO)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 28637544 OOKRHFBXNRLUNX-XBGVIYRFSA-N 364.438 2.063 30 1 FEEF CC(=O)NC(C)(C)C(=O)[C@@]1(C)CC2=C(C1=O)c1cc(C)cn1C(C)(C)C2=O 2356864554 VWGCVXUECMOABY-NRFANRHFSA-N 370.449 2.331 30 1 FEEF C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O 14584805 ZJZYSAJQOPJREK-HRYFJRSNSA-N 374.477 2.354 30 1 FEEF endogenous,in-man N#C[C@H](Cc1ccc(C2CCOCC2)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 221946731 XXKQFGXUONDDCX-YRPNKDGESA-N 353.466 2.272 30 1 FEEF C[C@@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 95876993 QJZIHDAGXDAYFK-SZOBAZRNSA-N 368.521 2.053 30 1 FEEF C#CCN(C)S(=O)(=O)c1ccc(N2CCCC2)cc1Br 96019371 QSEAFVOFKNZPGX-UHFFFAOYSA-N 357.273 2.303 30 3 FEEF C=C1C[C@H](CC)C(=O)O[C@@H]2CC[C@]3(C)CC=C(COC(=O)[C@@]1(C)O)[N@+]23[O-] 2356322033 OYUWUNNAOJAFSE-MXOMYUGUSA-N 365.426 2.291 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)C=C[C@](C)(O)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356420449 AXSMKFJOTFGINI-YZLZLFLDSA-N 360.406 2.189 30 1 FEEF C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 85800046 ABTNJGAZZKYLLD-MVPLPQMZSA-N 362.422 2.111 30 1 FEEF in-man Cc1cccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)c1 82065719 AUPOWCHZKIYLRO-GOSISDBHSA-N 351.406 2.472 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H](O)/C(C)=C\C(=O)/C=C(/C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 13585374 VUURQISRHJCAJY-SEPXTGRBSA-N 360.406 2.189 30 1 FEEF COc1ncc(C#Cc2ccc([C@H](C)CNC(=O)c3cn[nH]c3)cc2)cn1 113413801 KSZZPBJPJRSXOZ-CQSZACIVSA-N 361.405 2.142 30 1 FEEF CC(C)=CCC(=O)[C@]1(O)C(O)=C(C(=O)C(C)C)C(=O)[C@@]1(O)CC=C(C)C 2356736622 BKPHLWHAKWWBPZ-PMACEKPBSA-N 364.438 2.350 30 1 FEEF C=C1C[C@@]23C[C@H]1C(=O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 2356764876 SEDBAGHKXIEGAI-PYTTZVDDSA-N 360.406 2.319 30 1 FEEF CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(O[C@H]3CCOC3)nc2)cc1 169706376 AQVWTLZDNUORGC-QRWLVFNGSA-N 365.433 2.111 30 1 FEEF C=C1CC[C@H]2CC[C@]34O[C@]3(C2(C)C)[C@](O)(CC(C)=C[C@H](O)C1)O[C@H]4O 2356423486 BKKZGQQWVCLVFK-JADWYGHVSA-N 350.455 2.405 30 1 FEEF CO[C@H](C[C@H](CCN1CCC[C@H](CO)C1)C(=O)NO)c1ccc(F)cc1 64528219 NGWBJDOGQSUINS-QILLFSRXSA-N 368.449 2.119 30 1 FEEF O=C(CCC1=CCCN(Cc2ccc(Br)cc2)C1=O)NO 28955266 CKWNSKJXQBCPLK-UHFFFAOYSA-N 353.216 2.393 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]1[C@@H](O)CC(C)=C1C(=O)C=C(C)[C@H]12 2356461084 VGRUTNKBHIPCKO-IQMMLEMLSA-N 360.406 2.022 30 1 FEEF NS(=O)(=O)c1ccc(N2C(=O)CC/C2=C\C(=O)c2cccc(F)c2)cc1 1911571933 HRWQLGYNNSIOLB-RVDMUPIBSA-N 374.393 2.367 30 1 FEEF C[C@H]1CCC[C@H]2O[C@@H]2COc2ccc(cc2)C[C@H]2NC(=O)/C(=C/1O)C2=O 103186608 MMJLIEREEJXFMU-YECRGUBPSA-N 357.406 2.075 30 1 FEEF COC(=O)[C@H](CCCCNC(C)=O)[C@@H]1C(=O)C[C@H]2C1=CC(=O)CC2(C)C 100575526 VINWJYXOFBHHFU-HFTRVMKXSA-N 363.454 2.213 30 1 FEEF CC(C)CNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@@H]1F 28868144 QYWYVEGYSVLIEY-CVEARBPZSA-N 352.381 2.118 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@]21COC(=O)[C@H](C)CC 2356400314 WQZVDEURJSICGV-KGRXXBAQSA-N 364.438 2.184 30 1 FEEF Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=N)N)c3ccccc32)cc1 64560622 VTAFRMCOOSLTMG-KEBDBYFISA-N 355.423 2.004 30 1 FEEF C=CC[C@@]12C=C(OC)[C@@H](O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O 238737381 UIDBVRIGTICCQN-RPBXSVQDSA-N 374.433 2.362 30 1 FEEF CON1C(=O)[C@@]2(C[C@@H]3N=C([C@@]4(C)O[C@@H]4C)[C@@H]4C[C@H]2OC[C@H]34)c2ccccc21 238743012 YTLNWRIGWUSICE-ZIRUSHBQSA-N 368.433 2.258 30 1 FEEF Cn1c(N/N=C/c2ccccc2)nc(-c2ccc3c(c2)OCO3)c(C#N)c1=O 6523616 VWSBWOBVIKFZOP-SSDVNMTOSA-N 373.372 2.494 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](CO)CCC=C(CO)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356596046 CJWRQPZAYLIOEX-BRSBDYLESA-N 364.438 2.063 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)c3ccoc3)[C@H]12 2356751245 WWQBWBDEAHIHFL-PVZJGROWSA-N 374.389 2.161 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(OC)c2)[C@@H]1CO 95667744 SUFCUMOIBOTACO-DYXWJJEUSA-N 366.417 2.187 30 1 FEEF CC(C)c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1 13472380 JLAVDQAEILEFOO-GOSISDBHSA-N 374.462 2.431 30 1 FEEF Cc1csc(/N=C(\NCCN2CCOCC2)Nc2nc(C)cs2)n1 17189054 PQBDFTJWAIRXGD-UHFFFAOYSA-N 366.516 2.238 30 1 FEEF C[C@]12CCC[C@]3(C)[C@@H]1[C@H](C[C@]1(CO1)[C@@]31CC[C@]3(CCOC3=O)O1)OC2=O 2356379316 PNDHVSKKANSYRU-IJBLTXKISA-N 362.422 2.132 30 1 FEEF O=C1C=C/C(=C\NN/C(=C(\O)c2ccccc2)c2ccccc2)C(=O)C1=O 100525143 BXNOPAGNFFQRJH-XLTGVJEBSA-N 360.369 2.326 30 3 FEEF CNc1cccc2c1C(=O)[C@@H]1[C@H]3C(O)=C(C(C)=O)C(=O)N3C(C)(C)[C@@H]1C2 2356744136 FNIHUSOGDPMUFQ-RLCCDNCMSA-N 354.406 2.104 30 1 FEEF C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2ccc(C)cc2)n1 215989740 MUMOHNVXKGZJDP-UHFFFAOYSA-N 354.464 2.209 30 1 FEEF C=C1[C@@H]2C[C@@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O 85489111 CBOSLVQFGANWTL-JREIGNCFSA-N 357.494 2.000 30 1 FEEF biogenic,in-vitro C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO 253756376 PIDANAQULIKBQS-BPMMYBDXSA-N 372.461 2.012 30 1 FEEF N#CC1(c2ccc(-c3ccc4c(c3)NC[C@H]3[C@@H](CO)OC(=O)N43)cn2)CC1 299871129 XVGKFHFTXVFOOI-DLBZAZTESA-N 362.389 2.415 30 1 FEEF CCCCCCOc1ccc(COC2=C(O)O[C@@H]([C@@H](O)CO)C2=O)cc1 101350516 ZLIAMYFYUMZXDC-RDJZCZTQSA-N 366.410 2.211 30 1 FEEF C=CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 26944605 SQBJAHAACMVOOI-UHFFFAOYSA-N 371.412 2.482 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC(=O)[C@H](C)CCC[C@@](C)(O)[C@@H]2OC(=O)C(C)=CC 2356539179 FPXHAHZGQPOGBX-CPJTVBMOSA-N 364.438 2.492 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 85676770 DZTWAOVNNLDWNH-IHGBIZJZSA-N 362.422 2.221 30 1 FEEF biogenic CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C[C@H](C)C(=O)/C=C/[C@@]1(C)O 238783314 LGZPXBXIIGFHEV-KDRNBZPXSA-N 368.470 2.063 30 1 FEEF CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O2 95725795 XOKPMWGDEQUDQC-GJYPPUQNSA-N 373.497 2.015 30 1 FEEF O=C(CCC1=CCN(CCCc2ccc(Br)cc2)C1=O)NO 95576941 NFQWJBPDKABLDH-UHFFFAOYSA-N 367.243 2.436 30 1 FEEF C=C(CCC(=O)OC)[C@@H]1CC[C@@](C)(O)[C@H]1COC(=O)CCC(=O)OCC 85598002 ITMUYAPLCIMATN-YZVOILCLSA-N 370.442 2.160 30 1 FEEF biogenic CN(/N=C/c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccc(F)cc1 473114674 OPDRBXSFNAPNDV-CAOOACKPSA-N 367.793 2.176 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OCC(=O)OCC)/C(C)=C/CC[C@@]1(C)O[C@@H]21 653891173 SCFNUVDJHDKKBT-YILXSCKWSA-N 350.411 2.320 30 1 FEEF CC1=CC(=O)[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)NN1 587794720 PJEWUDBODZLNQV-ZSTCXTCPSA-N 354.223 2.113 30 1 FEEF C[C@]1(CC(=O)ON2C(=O)CCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587517878 WRBLJFWPFKMKRK-HXUWFJFHSA-N 371.389 2.287 30 1 FEEF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1F 586928698 HHTUVSHTEHDUJH-UHFFFAOYSA-N 374.397 2.403 30 1 FEEF Cc1ccc(-n2c(O)c(/C=N/N3CCCCCC3)c(=O)[nH]c2=O)cc1C 6065561 YSNCKQPQNXHGDR-UDWIEESQSA-N 356.426 2.058 30 1 FEEF CCCCCCCCCCCCOC[C@H]1O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O 1772578618 ZXSSCNBYQALVIE-GFEQUFNTSA-N 362.507 2.378 30 1 FEEF O=C(NO)c1ccc(CN2c3ccccc3[C@@H]3[C@H]2CCS3(=O)=O)cc1 1857547049 XYQDILWULREMBI-IAGOWNOFSA-N 358.419 2.054 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)CO)CC(C)=CCC[C@]1(C)O[C@@H]21 2356745711 RNNKSBPSDFMQAP-RFSOPEBBSA-N 362.422 2.222 30 1 FEEF CC1=CC(=O)[C@H](C(C)C)C[C@H](OC(=O)[C@]2(C)O[C@H]2C)[C@](C)(O)C(=O)CC1 2356747782 XTTHQGPLWSYZEC-RJISSLQISA-N 366.454 2.367 30 1 FEEF COc1cc([C@@H]2c3c(cc(C)oc3=O)OC(=N)[C@@H]2C#N)cc2c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endogenous,in-man NS(=O)(=O)c1ccc(/N=C/[C@@H]2C(=O)Nc3ccc4ncsc4c32)cc1 169685142 OPVFXMUETZOYIY-TUVHXFJTSA-N 372.431 2.382 30 1 FEEF Cc1cc(C#Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1[N+](=O)[O-] 587262336 PTVTVXQFUJHFMN-UHFFFAOYSA-N 357.347 2.426 30 1 FEEF CC(=O)OC[C@@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 100823393 IGDIDZAQDRAJRB-VEAXJEOVSA-N 350.411 2.154 30 1 FEEF endogenous,in-man CC(C=CC(=O)C1=C(O)[C@H](Cc2ccc(O)cc2)NC1=O)=C[C@H](C)[C@H](C)O 2356645704 BCLPTDXMLFNOLV-ZQIUZPCESA-N 371.433 2.334 30 1 FEEF C/N=C(/NC#N)NCCCCCn1nc(-c2ccccc2)c(C)cc1=O 27208622 PGCJEOXJTDDWFI-UHFFFAOYSA-N 352.442 2.035 30 1 FEEF C=C1C[C@@H]2C=C(CC[C@](O)(C(C)C)/C=C/[C@@](C)(O)CC[C@H]1O)C(=O)O2 96086059 LOIIZBXZZSSECJ-CLUKBVHOSA-N 350.455 2.414 30 1 FEEF in-vitro O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=CCCS1(=O)=O 587895529 FXKCBUILQGMPRK-UHFFFAOYSA-N 358.246 2.358 30 1 FEEF Oc1nc(O)c2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2n1 586910187 NCJUYNHRKQMUMP-CQSZACIVSA-N 360.414 2.414 30 1 FEEF COc1ccccc1COc1ccc(-n2cc(C(=O)O)nn2)cc1C#N 1772623506 CZUCQXMYKYFNQR-UHFFFAOYSA-N 350.334 2.425 30 1 FEEF C=CC(=O)N1CCC[C@@H](n2nc(C#CC3CCCC3)c3c(N)ncnc32)C1 1772578010 VPZUDGJDZWMPDC-OAHLLOKOSA-N 364.453 2.300 30 1 FEEF O=C(/N=C1\NCCS1)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2665063 SOLRIRBZSIOCKE-QGZVFWFLSA-N 365.458 2.473 30 3 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](OC(=O)C3=C[C@H](O)OC3)[C@@H]12 2356387075 GWPLGGJNZWWQIB-XDNAFOTISA-N 360.406 2.348 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC[C@](C)(O)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356425233 ATUPZONNYSDDBY-XDCWJTEKSA-N 364.438 2.204 30 1 FEEF O=C1C=CC=C/C1=C1\N=C(SCC(=O)N2CCCc3ccccc32)NN1 104008816 OXWSPSHOTVEEAR-JXAWBTAJSA-N 366.446 2.070 30 3 FEEF C[C@H]1CC/C(=N\Nc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 40640695 QZXBQMNTUAHQPZ-XQWREMRISA-N 362.773 2.472 30 1 FEEF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@@]1(O)C(=O)CO 253756382 PIDANAQULIKBQS-FLXZEEAVSA-N 372.461 2.012 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@@](C)(O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 100090135 ZGBPQHPXBVYXCV-IJZJBVBSSA-N 364.438 2.348 30 1 FEEF in-vitro C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C[C@H](O)C[C@@]1(C)O[C@H]21 2356718605 AFTMSDSWKBUAFB-SQPDSBPRSA-N 362.422 2.221 30 1 FEEF COc1cccc(C(=O)NCCN2CCN(c3ccc(C#N)cc3)CC2)c1 64527924 GUOQVYSYBNSMPJ-UHFFFAOYSA-N 364.449 2.119 30 1 FEEF CC1(C)C(=O)CC[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)O[C@@H](CO)C3 198494579 DGCCWPRTGDPXEF-YBYGRFCBSA-N 358.390 2.163 30 1 FEEF C=CCON(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC(=O)N1 653728709 RXXOBGWWBZNEJL-LLVKDONJSA-N 359.260 2.019 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@H]12 15157886 DZTWAOVNNLDWNH-FSWKEFEPSA-N 362.422 2.221 30 1 FEEF endogenous,in-man C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CCC2=C(COC2=O)C1=CC3=O 1857634140 SGBFJXUIOOOVKF-FHZGZLOMSA-N 354.358 2.449 30 1 FEEF COC1=C(OC)[C@@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O 105223972 XLWYWPDYNLZUJS-PMACEKPBSA-N 359.422 2.136 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3O[C@@](O)(C=C3C)C[C@H](C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356294189 APAGAPSSCPWRAW-KKNDZEBNSA-N 362.422 2.426 30 1 FEEF C=C[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1C(=COC)C(=O)O 2356613825 ZGSZUQKKUBVUPV-PKEAVRCTSA-N 368.433 2.388 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](O)CC(C)=CC(=O)C=C(C)[C@H]2OC(=O)C(C)=CC 2356711313 SCJIZBIZKYTHRQ-FJIDUMEYSA-N 360.406 2.189 30 1 FEEF C=C(CCO)C(=O)O[C@@H]1CC(C)=CCCC(CO)=C[C@@H]2OC(=O)[C@@H](C)[C@H]21 2356756187 DTSRWZQRWMWHDL-RANZSIQMSA-N 364.438 2.063 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C1C(=O)[C@@H]3O[C@@]3(C)[C@H]12 2356786860 SRISGSIMXLOZGT-WFRIRCDYSA-N 358.390 2.039 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C3C(=O)O[C@@H]3[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238761948 ZQNXYIUWXMFILN-IYRXKMJESA-N 356.374 2.164 30 1 FEEF CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)NO)c2ccccc2)cc1 13585974 XWQYRXPGPDOWAJ-QGZVFWFLSA-N 359.403 2.109 30 1 FEEF N#CCC(=O)N1CCC[C@]12CN(c1ncnc3[nH]ccc13)CCC2(F)F 169698973 BGEBGCJWXNOHDZ-MRXNPFEDSA-N 360.368 2.078 30 1 FEEF N#CCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 2493035 LUVQTRCFXFHZML-DLBZAZTESA-N 373.453 2.489 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 100088818 DZTWAOVNNLDWNH-DRCJWTCISA-N 362.422 2.221 30 1 FEEF in-vitro CCN/C(=N\S(=O)(=O)c1ccc2[nH]ncc2c1)N1CC2(C=N1)CCCC2 115462315 RGYUHWISLHLCCL-UHFFFAOYSA-N 374.470 2.079 30 1 FEEF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(C)C(=O)[C@H]1[N+](=O)[O-] 587388972 IIXVSEGSQHFXGE-MJGOQNOKSA-N 367.361 2.060 30 1 FEEF COc1ccc(S(=O)(=O)Cc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 586920769 QWHSFFMQLFTZKW-UHFFFAOYSA-N 352.375 2.289 30 1 FEEF CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N 13679197 GAALJUPHNLYJNQ-KRWDZBQOSA-N 370.497 2.311 30 1 FEEF c1ccc(N2CCN(CCC/N=C3/COc4ccccc4N3)CC2)nc1 26471595 URTVYWFJOMFNOW-UHFFFAOYSA-N 351.454 2.497 30 1 FEEF C#CCN1C(=O)[C@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 73388447 SIFFXORNRKDNAI-HSZRJFAPSA-N 368.392 2.183 30 1 FEEF C=CCN1C(=O)C(=O)N(CCNc2ccnc3cc(Cl)ccc23)C1=S 40878564 MWHMILGSQAUKLS-UHFFFAOYSA-N 374.853 2.442 30 1 FEEF C/C1=C\C(=O)[C@@H](C(C)C)C[C@@H](OC(=O)[C@@]2(C)O[C@@H]2C)[C@](C)(O)C(=O)CC1 13324989 XTTHQGPLWSYZEC-SLCFGJLVSA-N 366.454 2.367 30 1 FEEF O=C(OCC#CCN1C[C@H]2C[C@H]2C1)C(O)(c1ccccc1)c1ccccc1 28477597 FFFPBQIUJCFZFA-KDURUIRLSA-N 361.441 2.421 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]3C(C)=CCC3=C3C(=O)O[C@@H]3[C@@H](OC(=O)C(C)=CC)[C@H]12 2356448335 ZQNXYIUWXMFILN-ZLVKTETGSA-N 356.374 2.164 30 1 FEEF Cc1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(S(C)(=O)=O)[C@@H]2CO)cc1 95795522 ZWDUJUWQWMDIHH-QRVBRYPASA-N 356.447 2.274 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC2=C(C)C(=O)[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@H]2[C@]1(C)O 2356784819 QGKBLGPMOCXJCL-IGIACSDVSA-N 362.422 2.102 30 1 FEEF C[C@@H]1CO[C@@H]2C3=C(C(=O)C=CC3=O)[C@@H]3OC(=O)[C@@H]4CC[C@H]5[C@H]1CC[C@]25[C@@H]43 238781900 QCPDBEXGCHOIDE-GCBPXLNKSA-N 354.402 2.004 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cncn(Cc2nc(C)no2)c1=O 587912764 NOBFDHKAALAXNK-UHFFFAOYSA-N 356.769 2.045 30 1 FEEF S=C(N/N=C/c1ccccn1)NNC(=S)Nc1ccccc1Cl 13650689 DZBKZVTXCRYDJL-RQZCQDPDSA-N 364.887 2.435 30 1 FEEF C=C1CC[C@H]2[C@@]34CCC[C@@]2(C)C(=O)O[C@@H]3O[C@H](C2=C[C@H](O)OC2=O)C[C@H]14 2356439470 RXXVASHQUFGTFX-IATJTFMBSA-N 360.406 2.219 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(COC(=O)[C@H](C)CC)C[C@H](O)[C@@H]12 2356499199 XJZZDTSTRICRMS-QRVDHSFSSA-N 364.438 2.063 30 1 FEEF COc1ccc(-c2c(C#N)n(O)c3cc(C4OCCO4)ccc3[n+]2=O)cc1 1772647014 MSUHGUMJBHLMLD-UHFFFAOYSA-N 366.353 2.386 30 1 FEEF O=C(OCC#CCN1C[C@H]2C[C@@H]2C1)C(O)(c1ccccc1)c1ccccc1 101024290 FFFPBQIUJCFZFA-RTBURBONSA-N 361.441 2.421 30 1 FEEF Cc1ccc(C)c(S(=O)(=O)N(C)/N=C/c2cnn3ccc(C#N)cc23)c1 82150247 FTMVTSQZJABEAO-RGVLZGJSSA-N 367.434 2.477 30 1 FEEF COCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccccc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c4cc(O)c(OC)cc4[C@@H]3[C@@H](OC)C[C@]21C 2356680546 LQMBBJSVJDBNNB-NJPCENFHSA-N 372.461 2.217 30 1 FEEF CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1C#N 95897908 PTDGAOVNNFEWBY-KSZLIROESA-N 360.410 2.105 30 1 FEEF Nc1nc(O)c2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2n1 586910174 MTRXEBLDUMSWEJ-CQSZACIVSA-N 359.430 2.290 30 1 FEEF C[N+](C)(C)[C@@H](Cc1c[nH]c2c(I)cccc12)C(=O)O 14513914 MCEBBCIJDLGHBS-LBPRGKRZSA-O 373.214 2.474 30 1 FEEF CCOC(=O)C1=C(C)OC(=N)[C-](C#N)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 169686878 MEKMLYJTNOACRE-OAHLLOKOSA-N 372.313 2.350 30 1 FEEF C=C(C)[C@H]1C[C@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C 104352005 MFJWBSPRMQOETE-HFPAXCCDSA-N 360.450 2.298 30 1 FEEF in-man Cc1ccnc2c1CCN[C@H]2c1nc(B2OC(C)(C)C(C)(C)O2)ccc1F 963069381 MFYMAKITHGXQJY-GOSISDBHSA-N 369.249 2.458 30 1 FEEF COc1ccc([C@H]2NC3=C(CCCC3)[C@@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1 5924180 HXZAFDZRTPBTFB-LSTHTHJFSA-N 361.405 2.085 30 1 FEEF C=C[C@]12C[C@H](OC(=O)C(C)=CC)[C@@H]3C(=C)C(=O)O[C@@H]3[C@@H]1C(=C)CO[C@@H]2O 2356447620 YCUMYYHWRRPIJB-IGVQRDAMSA-N 360.406 2.059 30 1 FEEF CC#CCSC/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] 103275906 PVVHQZHSZFTJFV-FYWRMAATSA-N 352.847 2.343 30 1 FEEF NC(N)=Nc1nc(C(=O)Nc2nc3c(F)ccc(F)c3s2)cs1 29571104 LILRJGWFGIWCCQ-UHFFFAOYSA-N 354.367 2.188 30 1 FEEF O=C[C@H](Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2 238741584 XSFUERJLALKATQ-HOTGVXAUSA-N 356.374 2.353 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)C=C(C)C)[C@H]1O[C@@]1(C)CCC[C@H](C)[C@H]2O 15158339 UMHQHFHQQZZQGN-KSPGMDPOSA-N 364.438 2.301 30 1 FEEF endogenous,in-man Cc1ccccc1[C@H](C)Nc1c(NCCCCCC(=O)NO)c(=O)c1=O 1857768376 QXXPKTJYVSBMJC-ZDUSSCGKSA-N 359.426 2.242 30 1 FEEF COCCN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O 28649638 GRUOUQJWADZJQI-UHFFFAOYSA-N 359.353 2.493 30 1 FEEF C=CCN(C)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccco1 2356582130 WDMXFYMDFLPJPS-GVDBMIGSSA-N 362.543 2.072 30 1 FEEF COc1c(C)cnc(Cn2cc(C#CCO)c3c(Cl)nc(N)nc32)c1C 95562953 QAXQRXZBXHBFPQ-UHFFFAOYSA-N 371.828 2.079 30 1 FEEF Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c([C@@H]3C=CC(=O)C(=O)C3)c12 169691895 PUBOKMCVMUTDEI-GFCCVEGCSA-N 357.373 2.365 30 1 FEEF N#CCCNC(=O)N1CCC[C@]12CCCN(c1ncnc3[nH]ccc13)C2 169699007 UHTMGWBZJWZTSR-SFHVURJKSA-N 353.430 2.016 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 101631577 WIJTVLLWRBYBCD-ORVNXCETSA-N 364.438 2.062 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H](O)/C(C)=C\C(=O)/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 103584127 VUURQISRHJCAJY-QDJZJPPGSA-N 360.406 2.189 30 1 FEEF biogenic,in-vitro C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3CC2=O 102903301 CBOSLVQFGANWTL-GTGSTNGMSA-N 357.494 2.000 30 1 FEEF COc1cc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 13683368 QUSHLFKUHGFZFA-UHFFFAOYSA-N 374.414 2.350 30 1 FEEF COc1cc(/C=C/C(=O)NO)ccc1OCC(=O)Nc1ccccc1F 96938631 CFHSXLXAXUYOJJ-VQHVLOKHSA-N 360.341 2.370 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3O[C@@](O)(C=C3C)C[C@H](C)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356294192 APAGAPSSCPWRAW-NTRFMYECSA-N 362.422 2.426 30 1 FEEF CC=C(Br)C1=C(Cl)C(=O)[C@]23C[C@H]2C(C)(C)O[C@]3(O)C1=O 2356386935 AHZMOBNOWMRQQO-HNWMMTHTSA-N 361.619 2.434 30 1 FEEF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C(C(=O)O)=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356342994 JOFBZBDWOWPUMO-WQLICOABSA-N 360.450 2.471 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@]21COC(=O)[C@@H](C)CC 2356400313 WQZVDEURJSICGV-JKYGRVROSA-N 364.438 2.184 30 1 FEEF CCCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 73296813 IEGRYKCSNXRFCZ-SPOLIRPYSA-N 362.507 2.114 30 1 FEEF COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1 1772634888 CLGDSTJRIXLINL-UHFFFAOYSA-N 362.386 2.362 30 1 FEEF COC(=O)[C@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]23O[C@@H]3C1=O 6500196 HOAXCALWNZDPTE-BCQCCGBSSA-N 362.466 2.490 30 1 FEEF CCOC(=O)C1=Nc2ccc(Cl)cc2/C1=N/NN1CCSCC1 100491768 RWGSWFWILYTADC-AQTBWJFISA-N 352.847 2.247 30 3 FEEF CCCCN1CCN([C@H]2c3cc(C#N)ccc3OC(C)(C)[C@H]2O)C(=O)C1 26284459 UBHBPMGWZNGUIZ-OALUTQOASA-N 357.454 2.076 30 1 FEEF C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5([C@@H]6CC[C@@]4(C)[C@@H](O6)N(CC)[C@H]15)[C@@H]3CC2=O 70451118 YSSPOBAEOOLGAT-LZPCMIAMSA-N 355.478 2.364 30 1 FEEF biogenic,in-vitro N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)CC2CCCCC2)CC1 95590764 GBZZWQSTCFWTMY-LXZJYRNTSA-N 372.513 2.036 30 1 FEEF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(C#N)c(C#N)[nH]c-2n1 587149683 PRFUDDAMSDOTHB-UHFFFAOYSA-N 362.303 2.394 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)CC(C)(C)O)C(C)=CCC[C@@]1(C)O[C@H]21 261121916 JQVNVUPVYVJHBR-IFTIQHTGSA-N 364.438 2.445 30 1 FEEF CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@]3(C)O[C@@H]3C[C@@H](O)[C@@]12C 2356331790 RDXWJBVCSVKCQR-AIKAUVIFSA-N 366.454 2.070 30 1 FEEF COc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NCCC#N)sc1=O 61896789 LRIBUQZRXWDPFX-UHFFFAOYSA-N 373.434 2.121 30 3 FEEF C#C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc2ccccc2c1 2356567201 LYYAOIOMXZYARV-SNRMKQJTSA-N 354.475 2.462 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=CCC[C@]1(CO)O[C@H]21 2356680626 OMABZDYFTUAZPH-QRXRQMIZSA-N 362.422 2.222 30 1 FEEF COC1=C(Cl)[C@]2(C)OC(=O)c3c(O)cc(OC)cc3C2=C(O)C1=O 31168412 VAULHRHBSRWRKX-MRXNPFEDSA-N 352.726 2.279 30 1 FEEF biogenic O=C(Nc1ccc(S(=O)(=O)O)cc1)[C@@H](CS)Cc1cccnc1 13449880 UJAQWYXVAACBLX-GFCCVEGCSA-N 352.437 2.056 30 1 FEEF CC/N=C(\N)Nc1ccc(NC(=O)c2ccc(N/C(N)=N/CC)cc2)cc1 169331551 YCSCSXJEZUWSEN-UHFFFAOYSA-N 367.457 2.432 30 1 FEEF N#Cc1cnn(-c2ccc(S(N)(=O)=O)cc2)c1/N=C/c1ccc(F)cc1 1857594551 KRRJBYIMYRNALK-UFFVCSGVSA-N 369.381 2.281 30 1 FEEF COC(=O)[C@@H](Cc1ccc(OCC=C(C)C)cc1)N(O)C(=O)/C(C)=N/O 1857745269 RCHYEYQIAQKMMP-CXDFQFJYSA-N 364.398 2.184 30 1 FEEF CCCCS(=O)(=O)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O 27212897 WFJDIZRQAIJLAE-HZPDHXFCSA-N 352.456 2.193 30 1 FEEF C=C1C(=O)O[C@H]2[C@H](O)[C@H](C)CCC[C@]3(C)O[C@@H]3[C@H](OC(=O)/C(C)=C/C)[C@H]12 100780345 ZMXFZZOCUKHAFO-ZGWAZDSUSA-N 364.438 2.301 30 1 FEEF endogenous,in-man C=C(C)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)[C@]3(C[C@@H](C)O3)[C@H]21 2356288090 WBIAXVPYFSCEHZ-DJDXIDKHSA-N 374.433 2.077 30 1 FEEF C=CC[C@]12CC(=O)[C@H](O)[C@H]([C@@H]1O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C 2356565015 LFYIBRUXUSDXMD-UPKNQUTESA-N 360.406 2.031 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@@H]1OC)[C@H](O)[C@H]1CC[C@]2(C)C(=O)O[C@H](O)[C@@H]2[C@@]13C 2356628579 YDAHNBSRNIYZOQ-UYWNOTQESA-N 362.466 2.262 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=O)C(=O)C(C(C)C)=C1C[C@@H](O)[C@H]2C 2356841549 NJWONFAQULLUTD-GJTQKHSGSA-N 362.466 2.212 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](O)C(=O)C(OC(=O)CC(C)C)=C(C)[C@@H]3C[C@H]12 238754148 BVGITALSDLQLPL-IMWNLIFOSA-N 362.422 2.307 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(S(N)(=O)=O)c1 587918145 CQJXFZGYQKTNGI-UHFFFAOYSA-N 351.811 2.404 30 1 FEEF N#CC1(C#N)N[C@@H](c2cccs2)C(C#N)(C#N)N[C@H]1c1cccs1 19365554 BSQDLFOCPMYZAE-KBPBESRZSA-N 350.432 2.357 30 1 FEEF COC(=O)[C@@H]1C(=O)C=C(Nc2cccc(N3CCN(C)CC3)c2)C[C@@H]1C 1857650342 XZTATZTXFIHCPL-LIRRHRJNSA-N 357.454 2.132 30 1 FEEF Cc1cc(-c2ccc(Cl)cc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N 13763063 XNMRXVMNWXYZFZ-UHFFFAOYSA-N 365.842 2.133 30 1 FEEF CC[C@@H](C)[C@@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@H]32 15200272 ABLNQMKQYJQVRR-CHCSYJCLSA-N 362.422 2.260 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@H](O)[C@H](OC(=O)/C(C)=C\C)/C(C)=C/CC[C@@]1(C)O[C@H]21 523042119 NUBGOYZTSZAMIY-VKRVESGXSA-N 362.422 2.221 30 1 FEEF biogenic C=C1[C@H]2C[C@H]3C(=O)[C@@]45CCC[C@](C)(C=O)[C@@H]4C[C@@H](OC(C)=O)[C@@]3([C@@H]1O)[C@H]5C2 2356683548 ZDNMDOAXDDWWQL-HGTCBZJFSA-N 372.461 2.456 30 1 FEEF COc1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 586928957 NCXMRHDRXZYXLL-UHFFFAOYSA-N 356.407 2.264 30 1 FEEF CC(C)[C@@H]1[C@H](O)C(=O)C2=C(O)C3=C(C(=O)O)[C@H](O)CC[C@]3(C)CC[C@]21C 2356408648 LLMHFPULZDGBHG-PJKPTZELSA-N 364.438 2.357 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 2356491372 ISMGLGABBJABGX-DRVJKLOYSA-N 362.422 2.221 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(OC)c2)[C@H]1CO 95667818 SUFCUMOIBOTACO-SBHAEUEKSA-N 366.417 2.187 30 1 FEEF CC(=N/NC(=S)N1CCCCC1)/C(C)=N\NC(=S)N1CCCCC1 5850210 XMBHYEMPDFQTHN-JTFWXBGUSA-N 368.576 2.459 30 1 FEEF COc1ccc(/C=C/C=N/N2C(SC)=N[C@H]3[C@H]2N(C)C(=O)N3C)cc1 1857639333 NJWLUQSQWJTCOT-XFNNVYSDSA-N 359.455 2.378 30 1 FEEF O=C(C#Cc1cccs1)Nc1ccc(N2CCOCC2)c(C(=O)O)c1 64454003 HEHQUIQTIQAFEK-UHFFFAOYSA-N 356.403 2.273 30 1 FEEF C=C1C[C@@]23C[C@H]1C(=O)C[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 2356506014 XHTGFCMYAVKICC-KDXYZCPESA-N 362.422 2.111 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@@H]1F)[C@H](C(=O)OC)[C@H]1[C@]2(C)C(=O)O[C@@]13CC[C@@H]2O 2356637122 IAIGXJKNILCTLY-KDMUNKHASA-N 364.413 2.173 30 1 FEEF Nc1ccc([C@@H]2O[C@@H]3CC(=O)O[C@@H]3C3=C2C(=O)c2ccccc2C3=O)cc1 40915602 IHBRLMBTNSCUNU-OREJSRFESA-N 361.353 2.400 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3O[C@@](O)(C=C3C)/C=C(/C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 525915038 BWKCRURXVMIBRI-ACHPKSCMSA-N 360.406 2.346 30 1 FEEF biogenic Cc1cc2c(cc1C)[n+](=O)c(NC(=O)c1ccc([N+](=O)[O-])o1)c(C#N)n2O 377845807 OSBDCOXYUHKKAM-UHFFFAOYSA-O 370.301 2.035 30 1 FEEF C=C1C(=O)[C@]23C[C@H]1C(=O)C[C@H]2[C@@]12[C@@H](O)CC[C@@]4(C)CN(CC)[C@H]1[C@@H]3C[C@H]42 1857560151 DJMGYAXFCOQCBO-DBTVETHLSA-N 355.478 2.208 30 1 FEEF CC=C(C)C(=O)O[C@@H]1[C@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 2356583752 FYNKIYMILKEXOG-WFTUVNMSSA-N 364.438 2.340 30 1 FEEF COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@H]1CO1)C(=O)OC2 96911455 QHUFFWPCQKTQFN-GSDOMDMQSA-N 361.394 2.121 30 1 FEEF CS(=O)(=O)OC(COc1ccc(C#N)cc1)COc1ccc(C#N)cc1 2178320146 LESJFHBWWXEWAG-UHFFFAOYSA-N 372.402 2.233 30 1 FEEF CO[C@@H](CN1CCN(c2ccccn2)CC1)/C(=N\O)c1cccc(C)c1 100064528 CRPDSGPIDWBZJJ-BKBKCADHSA-N 354.454 2.406 30 1 FEEF COC(=O)CN1CC(C)(C)[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O 72120459 KSRYRCDROGTYRA-CQSZACIVSA-N 370.327 2.366 30 1 FEEF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccccc12 82154887 RUBBXXFQGVQOIZ-LICLKQGHSA-N 373.394 2.206 30 1 FEEF CCc1[nH]nc(N)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880252 IHLRGEMZDLLTPS-UHFFFAOYSA-N 351.237 2.572 30 1 FEEF C[C@@H]1C(=O)C2=C([C@@H]3OCO[C@@H]3C=C2)[C@@](O)(c2ccc3c(c2)OCO3)[C@@H]1C 2356426360 VOGHWSDTSPLGNL-FXQTZSDHSA-N 356.374 2.066 30 1 FEEF N#Cc1[nH]nc2c1CN([C@H]1CS[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 72317937 KQKASRAGSVKXIR-OVWKYPIYSA-N 361.421 2.449 30 1 FEEF CN1C[C@@]2(C)C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N2C1=O 40763289 RIZRNJYXWZZYNR-AWEZNQCLSA-N 352.272 2.170 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)/C(=C\C)OC)[C@@H]12 238734991 TTYINVYQSOYIRU-WJVSDBCXSA-N 362.422 2.283 30 1 FEEF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/CCn1cc(CCN3CCOCC3)nn1)C2 1772641908 HLXXGVMAWGFBFM-MFHBHZOFSA-N 359.518 2.440 30 1 FEEF C=CCn1c(N)nc(-c2ccccc2)c(I)c1=O 29311976 AUHGGFLQMSULOD-UHFFFAOYSA-N 353.163 2.283 30 1 FEEF CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1F)N1C[C@H](CC)C=N1 72122867 UHCOWMHLMCHVAH-SNVBAGLBSA-N 360.842 2.461 30 1 FEEF C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2O)C1=O 1857594257 OVVPXKCRMROTBY-LJQANCHMSA-N 367.336 2.053 30 1 FEEF Cc1cc2ccc(Nc3c(NCCCCCC(=O)NO)c(=O)c3=O)cc2[nH]1 1857769240 FXCDHRZDSQDKHI-UHFFFAOYSA-N 370.409 2.294 30 1 FEEF C=C1C[C@@H](C(=O)Nc2ccccc2)N(C(=O)[C@H](CCCC)CN(O)C=O)C1 66079261 DFYPIKJPJOVHCA-AEFFLSMTSA-N 373.453 2.436 30 1 FEEF CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 38155351 BDKXPSCUPFJXEP-AWEZNQCLSA-N 352.412 2.460 30 1 FEEF Cc1cc(Nc2ccc3c(n2)C(=O)N([C@H](C)/C(O)=N/C2CC2)C3)n(C)n1 82083845 IAOLYACCAIQMNX-LLVKDONJSA-N 354.414 2.330 30 1 FEEF Cc1ncnc(-c2ccc(S(C)(=O)=O)cc2)c1C#Cc1ccc(N)nc1 148615437 HNYLNYTXRPDFRA-UHFFFAOYSA-N 364.430 2.233 30 1 FEEF C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 15256543 PIKIDCPJSQIMHW-RQRFZDHTSA-N 364.438 2.046 30 1 FEEF endogenous,in-man O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)[C@H](O)[C@H](O)[C@H]3O 2356323515 LYFFSXMYKSNTOT-SLFFLAALSA-N 350.326 2.055 30 1 FEEF O=C(O[C@@H]1C=C(Br)C(=O)[C@H]1O)c1c(O)ccc2ccccc12 26159853 OGXYWSCTPIKDKD-DOMZBBRYSA-N 363.163 2.293 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=CC(=O)C=C(C)[C@H]2O 2356552587 VUURQISRHJCAJY-XDNAFOTISA-N 360.406 2.189 30 1 FEEF C=CC[C@@]12CC(=O)[C@H](O)[C@@H]([C@H](c3cc(OC)c4c(c3)OCO4)[C@@H]1C)[C@H]2O 2356565014 LFYIBRUXUSDXMD-MEFIATHGSA-N 360.406 2.031 30 1 FEEF C=C1CC[C@H]2CCC(=O)[C@@](O)([C@H](O)C(=O)CC(C)=C[C@@H](O)C1)C2(C)C 2356835331 KQXYPHVCFXDYCH-AIUZKBQUSA-N 350.455 2.090 30 1 FEEF O/N=C(\NCCN1CCOCC1)c1ccc(Oc2ccc(F)cc2)nc1 72102170 IIPXRUGLNOVIET-UHFFFAOYSA-N 360.389 2.071 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1CO 95871742 RFCFBMFMIPFQOK-WSTZPKSXSA-N 354.381 2.318 30 1 FEEF C=C(C)[C@@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@H]3C1(C)C 257481791 MFJWBSPRMQOETE-WNULMEAMSA-N 360.450 2.298 30 1 FEEF endogenous,in-man N#CC1(c2ccc(-c3ccc4c(c3)NC[C@@H]3[C@H](CO)OC(=O)N43)cn2)CC1 299871132 XVGKFHFTXVFOOI-SJORKVTESA-N 362.389 2.415 30 1 FEEF CC1=CC(=O)[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)NN1 587797409 WUDASQOSBPAMOK-MFKHAEIXSA-N 354.223 2.113 30 1 FEEF COc1nc(=N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)[nH]cc1C#N 1857552391 QAFWVLDKBWIXLX-VIFPVBQESA-N 355.785 2.447 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)CC(C)(C)O)/C(C)=C/CC[C@@]1(C)O[C@H]21 36463754 JQVNVUPVYVJHBR-XTJGNGTESA-N 364.438 2.445 30 1 FEEF N#Cc1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2c[nH]c3ccccc23)cc1 71281799 ARUKXPDROSPZJO-LJQANCHMSA-N 358.401 2.109 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)/C=C/[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 100088815 AXSMKFJOTFGINI-AWYRNCDDSA-N 360.406 2.189 30 1 FEEF in-vitro Cc1cccc(-n2c(O)c(/C=N\Cc3cccnc3)c(O)nc2=O)c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c1ccc(Cl)cc1C#Cc1cnc2[nH]c(S(C)(=O)=O)nc2c1 587918150 CXNJOCJYBODCRI-UHFFFAOYSA-N 361.810 2.423 30 1 FEEF CC/C(=N/N=C(N)N)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 208680264 WSJGFPCJKFOPRL-PGMHBOJBSA-N 369.450 2.266 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@H](O)[C@@H]12 169361419 BRTAZWLJPFLZAV-BJWIEAPYSA-N 362.422 2.221 30 1 FEEF O=C(O)CNS(=O)(=O)c1ccc(N/C(S)=N/c2ccccc2)cc1 29334162 KGYINUSJQMKODD-UHFFFAOYSA-N 365.436 2.079 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C(C)=CC)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 2356461938 ZMXFZZOCUKHAFO-UKPLOKPCSA-N 364.438 2.301 30 1 FEEF COC1=CC=C/C(=C\NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 138259015 CSERUKSOMWGDPW-ACCUITESSA-N 360.366 2.297 30 3 FEEF CCCCCCCCC[S@](=O)CC(P(=O)(O)O)P(=O)(O)O 95585547 CBZOIOFOTFWVNT-OAQYLSRUSA-N 364.337 2.167 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 169290285 WIJTVLLWRBYBCD-ZBCYPVTMSA-N 364.438 2.062 30 1 FEEF N#Cc1cccc(-c2cc(NC(=O)[C@@]3(F)CCCN(C#N)C3)ncn2)c1 1857566823 YSPXRIXJFLGJQV-GOSISDBHSA-N 350.357 2.239 30 1 FEEF C=C1C(=O)O[C@@H]2CC(CO)=C([C@H](C)CCCO)[C@H](OC(=O)C(C)=CC)[C@H]12 2356379675 FCDRLRIIZKINNV-QVDUIBETSA-N 364.438 2.063 30 1 FEEF C=CCNC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)O[C@@H]3CC[C@@H]2[C@@]1(C)CO 2356767427 BBVFGRRFXXASRT-PHGIVBCJSA-N 351.443 2.408 30 1 FEEF CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)c(OC)c(OC)c1 45300197 HZBOJNZTLUQBRI-LLVKDONJSA-N 356.426 2.384 30 1 FEEF C[C@]12CCC[C@]3(C)[C@@H]1[C@H](C[C@]1(CO1)[C@]31CC[C@@]3(CCOC3=O)O1)OC2=O 2356379317 PNDHVSKKANSYRU-QAJYWSNKSA-N 362.422 2.132 30 1 FEEF CCOc1ccc2nc(NC(=O)c3csc(N=C(N)N)n3)sc2c1 26150766 CXPCFYSSDSTBTG-UHFFFAOYSA-N 362.440 2.309 30 1 FEEF CC[C@@H](C=C(C)C=CC(O)=C1C(=O)N[C@H](Cc2ccc(O)cc2)C1=O)CO 2356505581 JEPJHUQQXXYAIP-WMLDXEAASA-N 371.433 2.335 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@H](c2ccc(C#CCC3CCCC3)cc2)[C@H]1CO 95898120 FOQJOAXBJHEYGA-SJBKTWHCSA-N 366.461 2.444 30 1 FEEF CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)n1 587885241 CWRZRPRBDWVGJR-UHFFFAOYSA-N 351.237 2.502 30 1 FEEF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)nc(C#N)c2[nH]1 586950529 YLPIOEWRMAAZLU-UHFFFAOYSA-N 361.814 2.445 30 1 FEEF CC=C(Br)C1=C(Cl)C(=O)[C@]23C[C@@H]2C(C)(C)O[C@@]3(O)C1=O 2356386936 AHZMOBNOWMRQQO-ISEFBEROSA-N 361.619 2.434 30 1 FEEF N#CCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 2492785 ALVXDPCUXMSMBQ-DLBZAZTESA-N 367.405 2.109 30 1 FEEF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C[C@H](O)[C@@]3(C)CC[C@@H]21 2356416075 HREHXDGEPLBBKK-WSRIDEHXSA-N 362.422 2.246 30 1 FEEF C=C[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)O 40934313 ZGSZUQKKUBVUPV-HCFCNZAZSA-N 368.433 2.388 30 1 FEEF Cc1ncn(C)c(=O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587891299 XEEYXCSIANRXQV-UHFFFAOYSA-N 364.232 2.106 30 1 FEEF CCc1ncnc(N2CCC(C)(OC)CC2)c1C#Cc1ccc(N)nc1 169699822 AERUYLXGFLTZIW-UHFFFAOYSA-N 351.454 2.421 30 1 FEEF C/N=C(/NCCNCc1ccc(CN(C(C)C)C(C)C)o1)C(C#N)C#N 169714633 LNISAOBZSOIMKK-UHFFFAOYSA-N 358.490 2.269 30 1 FEEF CCc1nc(/C(N)=N/OC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)no1 6791888 KDVNWGSMHOXTCA-UHFFFAOYSA-N 364.365 2.447 30 1 FEEF Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@H](C=O)C(=O)O)c1C 26670473 XFJNCQIIGBHNMK-CYBMUJFWSA-N 363.391 2.026 30 1 FEEF C=C[C@]1(C)C=C(C(=O)O)[C@]2(CC1)OC(=O)[C@@H]1[C@](C)(CO)CC[C@@H](O)[C@@]12C 2356627289 CWLQKGVWECQEPJ-GMZFERAJSA-N 364.438 2.055 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H](OCC)CC(=O)[C@]3(C)[C@@H](OC(C)=O)[C@@H]12 2356640465 CSYMRIFJBJCIHM-DQLJNDJJSA-N 350.411 2.056 30 1 FEEF CCOC1CCN(c2ncnc(CC)c2C#Cc2ccc(N)nc2)CC1 148836709 BUQSQEXGKKKRSF-UHFFFAOYSA-N 351.454 2.421 30 1 FEEF CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=C1[C@@H]1C(=O)C(OC)=C[C@H]21 238739415 PRKULWMHZYZBPD-BWACUDIHSA-N 371.433 2.359 30 1 FEEF CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)C(C)=O 473171801 VVOYEOCTMZAPDV-UHFFFAOYSA-N 374.400 2.195 30 1 FEEF COc1cccc2c1C(=O)C=C[C@@]21O[C@@H]2c3c1ccc(O)c3C(=O)C[C@H]2O 2356567011 CQWJYJYKRYUHNR-GQWLDOHISA-N 364.353 2.416 30 1 FEEF CCCCN1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O 28126558 XTJMCZPMUGISFW-GOSISDBHSA-N 356.403 2.157 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]31C=O 257621169 XIYAYYIGCSWTQO-QEKHGCSESA-N 362.422 2.111 30 1 FEEF endogenous,in-man N#CN/C(=N/CCOc1ccccc1)NC[C@H]1CC[C@H](c2cnc[nH]2)C1 653916363 GVJXRRRUZIKLHQ-HOTGVXAUSA-N 352.442 2.389 30 1 FEEF COc1ccc(Cl)cc1C#Cc1cnc(Cl)c(S(N)(=O)=O)c1 587918495 UNRSNEVDFJQHFY-UHFFFAOYSA-N 357.218 2.444 30 1 FEEF C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C=CC(=CC(=O)O)C(=O)O 2356425681 IMDVHFGRDJPERC-VKSPVCMPSA-N 364.438 2.380 30 1 FEEF O=C1C(Cl)=C(NCCCn2ccnc2[N+](=O)[O-])C(=O)c2ccccc21 102896412 YUMFNMKMXJOAPY-UHFFFAOYSA-N 360.757 2.301 30 1 FEEF CCCCCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@H](N)CO 14612878 RBILPDRITRQXOM-GOSISDBHSA-N 372.506 2.363 30 1 FEEF biogenic O=C(O)c1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O 43018834 MSZXJFYAHHNIOR-HKWRFOASSA-N 372.308 2.116 30 1 FEEF COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c(C#N)cccc32)cc1 169313284 HELNSFBKNADYJI-FQEVSTJZSA-N 352.390 2.286 30 1 FEEF Oc1nc2ccc(C3=NNC(=NCCc4cccnc4)SC3)cc2[nH]1 1857772746 HNFLZFFGELDZGE-UHFFFAOYSA-N 352.423 2.303 30 1 FEEF N#Cc1nc(Sc2cnsn2)c(Sc2cnsn2)nc1C#N 1657690 RFAGHUAXDUQPNX-UHFFFAOYSA-N 362.450 2.225 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)C=C[C@](C)(O)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356420446 AXSMKFJOTFGINI-VIPLHTEESA-N 360.406 2.189 30 1 FEEF COC(=O)[C@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@H]1C(=O)NO 29134804 ZSKKLMIULIVRSI-FXAWDEMLSA-N 355.390 2.493 30 1 FEEF CN1CCN(c2c(F)cc3c(c2F)[C@@H](CCF)C=C(C(=O)O)C3=O)CC1 5850903 LGQJUNJMWFJFRF-JTQLQIEISA-N 368.355 2.367 30 1 FEEF world C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H](O)CC=C(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 253723801 WIJTVLLWRBYBCD-AYGCXPPMSA-N 364.438 2.062 30 1 FEEF C[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@H]12 29126836 DFSKMMSUPHINPX-QFBVAWSSSA-N 354.391 2.010 30 1 FEEF C=C(C(=O)O)[C@@H]1CC[C@](C)(O)[C@@H](O)CCC(=C)[C@H]2CC[C@@](C)(O2)[C@H](O)C1 2356808681 ZBKLCENNVKUQNN-WRPXMVFYSA-N 368.470 2.174 30 1 FEEF CO/N=C(\N)c1cccc(COc2ccc(/C(N)=N/OC)cc2Cl)c1 96910521 UBKOJYPPKDISHM-UHFFFAOYSA-N 362.817 2.452 30 1 FEEF O=C1CS/C(=N\N=C\c2cccnc2)N1Cc1ccc([N+](=O)[O-])cc1 653795397 YMYIWFGSJKQESD-RQBLTKDGSA-N 355.379 2.455 30 1 FEEF O=C(O)[C@H]1CNC[C@H](CN/N=C/c2ccc(C#Cc3ccccc3)s2)C1 1857543469 SASCHHSIRVXFPW-SITLCMFTSA-N 367.474 2.382 30 1 FEEF CC(C)C[C@@H](C(=O)NCC#N)c1cccc(C#CCN2CCOCC2)c1 82064358 RNSYXTOWODPGCL-HXUWFJFHSA-N 353.466 2.140 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)C=C(C)C)[C@@]1(O)CCC(=O)[C@]21C 2356625633 TYAWIPYSWAZYAE-KSOAMXKZSA-N 362.422 2.104 30 1 FEEF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H]1C[C@]13OC(=O)[C@H](C)[C@@]1(O3)[C@H]2O 2356751809 OVMSUOGTJXIEKB-VEEATJFZSA-N 364.438 2.340 30 1 FEEF Cc1ccc(Oc2ccc(N(CCC(=O)NO)S(C)(=O)=O)cc2)cc1 29128189 JZMCRZFBCUTVMT-UHFFFAOYSA-N 364.423 2.449 30 1 FEEF C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](OC)[C@@]4([C@@H]1N(CC)C5)[C@@H]3[C@H]2O 95912792 XXZZJNAAUWXZNM-HKJMZRRTSA-N 373.537 2.446 30 1 FEEF biogenic,in-vitro N#Cc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587269439 CAYMPEMGRKDFMK-AWEZNQCLSA-N 364.365 2.241 30 1 FEEF Cn1c(=O)c(=O)n(C2CCCC2)c2nc(N/N=C/c3ccccc3)ncc21 1911571978 JZWLCOZORCJAOM-SRZZPIQSSA-N 364.409 2.051 30 1 FEEF C#CCn1c(-c2ccco2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 144151425 GTGGDWUGNLGPSN-UHFFFAOYSA-N 361.405 2.348 30 1 FEEF C=CC[C@@]12C[C@H](O)C(=O)[C@@H]([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O 2356462329 NRISBUYAZVOBNT-IFTPZJAKSA-N 360.406 2.031 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)C(=O)/C=C/[C@](C)(O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 523042462 XUPGTXZVXSSFBQ-OITZCJLKSA-N 362.422 2.268 30 1 FEEF biogenic Cn1cc(C(=O)O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 587890471 INGDJPRZLJDAKN-UHFFFAOYSA-N 366.204 2.136 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356467732 BHVWUHGFYATMKC-WENPLGDPSA-N 364.438 2.301 30 1 FEEF CN(Cc1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)c(C#N)cc2c1 27183309 SNPSRURLEPREOH-GOSISDBHSA-N 363.417 2.271 30 1 FEEF CC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2[C@@H](O)[C@H]1O 87529257 VRYBZCIONJZZPL-NMXXFREBSA-N 372.373 2.265 30 1 FEEF in-vitro C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)/C=C\[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 85926951 AXSMKFJOTFGINI-UPADXVHVSA-N 360.406 2.189 30 1 FEEF CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@H]2C)cn1 95588314 ZZRUBPUOTYXWMT-BUXKBTBVSA-N 370.840 2.453 30 1 FEEF COc1cc2c3c(c1)O[C@]1(c4ccccc4N(C)C(=O)[C@@H]1C#N)[C@@H](C2)C3=O 587436644 SROVFYJFKNWUND-VFCRVFHLSA-N 360.369 2.454 30 1 FEEF N#CCSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br 8606860 ZCBYFMNCKHLMLO-UHFFFAOYSA-N 362.212 2.487 30 3 FEEF C=CCN(CCN(CC)CC)C(=O)c1ccc(NS(C)(=O)=O)cc1 27863275 CGEBZDZWZZPQJF-UHFFFAOYSA-N 353.488 2.028 30 1 FEEF CCCCCCC[C@H](O)[C@@H]1C(=O)O[C@]2(C)C(=O)C3=C(COC3=O)C[C@H]12 2356722192 ZZAXCVQQCOPGFS-IZSNYMMISA-N 350.411 2.082 30 1 FEEF CC(=O)N1C(=O)[C@@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 73315077 GGQUSGUQOYGNEW-QFIPXVFZSA-N 372.380 2.096 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 523041529 JRVXBSMCUQHDNS-JHDONYJUSA-N 364.438 2.060 30 1 FEEF biogenic C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@]1(C)O[C@@H]1C)CC(C)=CCC[C@]1(C)O[C@@H]21 2356736789 OAMWENYKVCNNOT-QFNMWMTMSA-N 362.422 2.461 30 1 FEEF COC(=O)[C@@H]1CC[C@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 205054080 FKIICIGSBKQIRU-XJKCOSOUSA-N 367.409 2.380 30 1 FEEF C=C1CC[C@H]2[C@@]34CCC[C@@]2(C)C(=O)O[C@@H]3O[C@H](C2=CC(=O)O[C@H]2O)C[C@H]14 2356424654 ZRXPKIJUPUKYSG-CRFTYCKYSA-N 360.406 2.219 30 1 FEEF CCOC(=O)[C@H](Cc1ccc(OC[C@H]2CO2)cc1)NC(=O)c1ccccc1 29389235 ZVEHQCBNPYJTMQ-OALUTQOASA-N 369.417 2.368 30 1 FEEF C=C1[C@H](O)[C@@]23[C@@H](OC(C)=O)C[C@H]4[C@@](C)(C=O)CCC[C@]45C(=O)[C@@H]2C[C@H]1C[C@H]35 2356683550 ZDNMDOAXDDWWQL-IUZXTYFMSA-N 372.461 2.456 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 197217295 FPOVYDMKICRBQA-JNOXEZSCSA-N 362.422 2.221 30 1 FEEF CCn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)s2)cn1 169708973 HRIIAEYXVPQUHS-OGIUKLMXSA-N 369.494 2.323 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3O[C@@](O)(C=C3C)C[C@H](C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356294200 APAGAPSSCPWRAW-ZCAXHBNWSA-N 362.422 2.426 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)CC(C)C)[C@H]12 2356649328 JENRVVOVQAIGRV-GGAKBCAKSA-N 364.438 2.301 30 1 FEEF COC1=C[C@]23CCN(C)[C@H](CCc4cc5c(c(OC)c42)OCO5)C3=CC1=O 238775227 XDTUCJHUNSGRTR-SZNDQCEHSA-N 369.417 2.351 30 1 FEEF CCCCS(=O)(=O)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O 261181541 WFJDIZRQAIJLAE-HOTGVXAUSA-N 352.456 2.193 30 1 FEEF COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)[nH]n1 587890858 XIPCADCQQOYNIG-UHFFFAOYSA-N 366.204 2.214 30 1 FEEF N#C[C@@H]1CCOC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)F)nc2)n1 205003795 FGOADLLETGKXLH-TVQRCGJNSA-N 362.340 2.159 30 1 FEEF CC1(C)CC(=O)C(/C=N/CCc2ccc(S(N)(=O)=O)cc2)=C(O)C1 6485571 HNDWQADHUNGAIW-YBFXNURJSA-N 350.440 2.149 30 1 FEEF Cc1cccc2n1cc(/C=C/c1ccc(/C=N/NC3=NCCN3)cc1)[n+]2C 26824605 KPJHCGBOSMDTDI-PKXMCGRUSA-N 359.457 2.125 30 1 FEEF CC1(C)Oc2ccc(C#N)cc2[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H]1O 40846424 LCMULRGEZDKTHJ-MSOLQXFVSA-N 366.373 2.290 30 1 FEEF COC(=O)C1=CNC=C2C(=O)CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]21 14612605 WGPVOMJXMPKASC-KBXCAEBGSA-N 363.417 2.200 30 1 FEEF biogenic O=C(CN(Cc1cc(F)c(O)c(F)c1)Cc1cc(F)c(O)c(F)c1)NO 1857763880 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CC(C)=CCC[C@H](C)C1=C(O)C(=O)C(C)=C([C@@H]2C[C@H](O)[C@H](CO)O2)C1=O 2356796890 NPGIBAZKDFBMGD-MXAVVETBSA-N 364.438 2.160 30 1 FEEF C=C(C(=O)/C=C/C(C)(C)O)[C@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C 36374533 QWMIRWLFZLOCGH-BHKYBFPRSA-N 364.438 2.143 30 1 FEEF C=C[C@]1(C)C[C@@](O)([C@H](O)C(C)(C)O)Oc2c1c(=O)oc1cccc(C)c21 14559638 KXBAKXZOYFTMPG-RLLQIKCJSA-N 360.406 2.148 30 1 FEEF biogenic C[C@@H]1C[C@H]2O[C@@H]2/C=C/C=C\[C@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 169296265 XYSBXIOQSHEANG-FUFLAURPSA-N 366.797 2.483 30 1 FEEF COc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=O)cc(OC)c1OC 1654985 NKDCDUBMDHRUOO-YBFXNURJSA-N 354.366 2.146 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(=O)[C@H](C)[C@H](C)O)C(C)=CCC[C@]1(C)O[C@H]21 2356530445 MPNJUHHXWPDZRT-UKPLOKPCSA-N 364.438 2.301 30 1 FEEF CNC(=O)c1ccc([C@@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@@H]2C)cn1 95589799 ZZRUBPUOTYXWMT-CWTRNNRKSA-N 370.840 2.453 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356388804 SGOMJRGREDEDDZ-BIMQEMHKSA-N 364.438 2.063 30 1 FEEF C[C@@H]1C(=O)C2=C([C@@H]3OCO[C@@H]3C=C2)[C@](O)(c2ccc3c(c2)OCO3)[C@H]1C 2356426361 VOGHWSDTSPLGNL-PUBQZAJQSA-N 356.374 2.066 30 1 FEEF C=C1C(=O)O[C@H](C=C(C)CO)[C@@H]1[C@@H](CC(C)=CCO)OC(=O)C(C)=CC 2356544175 GHEIESSKOYFMTB-KURKYZTESA-N 364.438 2.230 30 1 FEEF Cc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@]23[C@]12O[C@H]2[C@@H]1O[C@]1(C(C)C)[C@]3(C)O 71331252 ZAHYIZWVACPTCH-HEXRHRPMSA-N 358.434 2.471 30 1 FEEF CC#CC(=O)Nc1ccc(F)c([C@@]2(C)Cc3c(F)cncc3C(N)=N2)c1 199549313 KNKNZKNSQVEDHJ-LJQANCHMSA-N 354.360 2.498 30 1 FEEF CC1=C(CCC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@@H](C1=O)[C@@H]32 36374628 AVQCCFBDBBQNGI-NDLGOLERSA-N 360.406 2.206 30 1 FEEF N#Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(C2CCCC2)c1=O 49785735 WYSIRYDIXGMEJG-UHFFFAOYSA-N 350.300 2.400 30 1 FEEF CN1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 95875611 DBDSPFKQKXGBRZ-BDTNDASRSA-N 368.521 2.198 30 1 FEEF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn2ncnc2cn1 587891311 XYTIPAHGLUQBLK-UHFFFAOYSA-N 360.204 2.142 30 1 FEEF CC/C(=N/C[C@H]1CCCO1)c1c(O)nc(=O)n(-c2ccc(OC)cc2)c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endogenous,in-man C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@H](O)[C@]5([C@@H]2CC[C@@H]1[C@H]3O)[C@H](OC)O4 102781473 HZXIWBLGRBHNQF-SIROMGPRSA-N 362.466 2.057 30 1 FEEF Cc1ccc(F)c2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 29568654 KLXSJUMNQXRRFE-UHFFFAOYSA-N 350.404 2.358 30 1 FEEF N#Cc1ccnc(N=c2cc(C3CN(C4COC4)C3)n(C3CCCC3)[nH]2)c1 473153533 BPCISKGSUMOXTI-UHFFFAOYSA-N 364.453 2.228 30 1 FEEF C=CCN1C(=O)S[C@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)C1=O 587038510 KBAXHIWDPQLHEA-CYBMUJFWSA-N 356.407 2.240 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12 15157885 DZTWAOVNNLDWNH-ZCUJDSNGSA-N 362.422 2.221 30 1 FEEF endogenous,in-man COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)[C@H]1c1ccncc1 104009283 KOHLBFSJMJVNAQ-GROYHEBESA-N 368.389 2.158 30 3 FEEF C=CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1 22511349 OSDRKMWARPAEMG-UHFFFAOYSA-N 359.401 2.167 30 1 FEEF COc1cccc(OC)c1CN1CCC(NC(=O)CCCS)CC1 39470956 MUDVORCZGBAHNA-UHFFFAOYSA-N 352.500 2.494 30 1 FEEF in-vivo O=C1CCC[C@@H](C(=O)N=C2CCN(c3ccc(Cl)c(Cl)c3)N2)N1 1857551819 JIWNQQOVEWCUFT-LBPRGKRZSA-N 355.225 2.302 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C(=O)CC=C(C)C[C@H](OC(=O)C(=CC)CO)[C@H]12 2356567366 QKLHPFYRHSIPQP-KSZLIROESA-N 360.406 2.190 30 1 FEEF O=C(NO)[C@H]1CC2(CC[C@@H]1C(=O)N1CCN(c3ccccc3)CC1)CC2 40955367 ZFHJWQWVJPMAIW-IRXDYDNUSA-N 357.454 2.037 30 1 FEEF O=C(O)c1ccnc(NC(=O)[C@@H](CS)Cc2ccc3c(c2)OCO3)c1 89456363 ZAYABIOMDQLHPM-GFCCVEGCSA-N 360.391 2.236 30 1 FEEF C[C@H]1C[C@@H](O)C2=C3CO[C@@](C)(CC[C@@]31C)[C@H](O)CC[C@@]1(C)O[C@H]1C2=O 238737721 BDCCHDXJUQBCDT-HAOZDGGVSA-N 350.455 2.140 30 1 FEEF C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OC[C@@H]1F 95604687 ALKHFUPBQSAGMS-MAUKXSAKSA-N 371.347 2.243 30 1 FEEF in-vitro C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C[C@H]12 238750670 JTAFQMVMOSJGMB-GTPJGMLFSA-N 354.487 2.383 30 1 FEEF CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(O[C@@H]3CCOC3)nc2)cc1 169706373 AQVWTLZDNUORGC-MGPUTAFESA-N 365.433 2.111 30 1 FEEF Cc1cc(-c2nc(N)[nH]c(=O)c2Cl)cc(C#N)c1OC[C@@H]1CCOC1 103253371 ZDJBPXJWRNMOPO-SNVBAGLBSA-N 360.801 2.268 30 1 FEEF Cc1nc2ccc(C#C[C@@]3(O)C[C@@H]4CC[C@H]3C4)cc2n1-c1ncnc(N)n1 103249644 QSRKSZPCUAAIHM-QEEYODRMSA-N 360.421 2.004 30 1 FEEF COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C(=O)C=C(C)C=C3C)NN2)c1 103740213 HGMNQKISTWZQFJ-CYVLTUHYSA-N 367.405 2.363 30 3 FEEF C=C(C(=O)O)[C@@H]1CC[C@](C)(O)[C@H](O)CCC(=C)[C@H]2CC[C@@](C)(O2)[C@@H](O)C1 2356808679 ZBKLCENNVKUQNN-MJKUBCPDSA-N 368.470 2.174 30 1 FEEF C[C@@H]1CO[C@@H]2C3=C(C(=O)C=CC3=O)[C@H]3OC(=O)[C@@H]4CC[C@H]5[C@@H]1CC[C@@]25[C@@H]34 85552893 QCPDBEXGCHOIDE-FJKCABEUSA-N 354.402 2.004 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)[C@H](O)C(C)=CCC[C@]1(C)O[C@@H]21 263636823 ISNCBKDTMCCSDO-UQZKUAJDSA-N 362.422 2.221 30 1 FEEF Nc1n[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc12 587889394 ZBXJLMVIKOTFCJ-UHFFFAOYSA-N 374.231 2.557 30 1 FEEF N=c1c(F)c[nH]c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N 587895066 BHJPYNUZVOYRFN-UHFFFAOYSA-N 367.211 2.233 30 1 FEEF COc1ccc(C2=NN(C(C)C)C(=O)[C@@H]3CC=CC[C@H]23)cc1C#CC(N)=O 1857562727 KIILUOSGHLGYRG-DLBZAZTESA-N 365.433 2.069 30 1 FEEF C=C[C@]12C[C@H](OC(=O)C(C)=CC)[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]1C(=C)COC2=O 2356505999 WSJQJFJGCHEPNW-NKGVLGIYSA-N 358.390 2.268 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)CO)CC(C)=CCC[C@@]1(C)O[C@@H]21 2356745710 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C#CCON=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 1857561876 HZXHZCLTUJDRPJ-SZFUDVHCSA-N 365.433 2.377 30 1 FEEF COc1ccccc1/C=C/CSC1=CC(=O)C(NC[C@H](C)O)=CC1=O 1857646425 WIZRLWGULWNYQF-IYNGYCSASA-N 359.447 2.332 30 1 FEEF N#CN/C(=N/CCNc1ccccc1)NC[C@H]1CC[C@H](c2cnc[nH]2)C1 653916384 LCBPUNVUNNLUJQ-HOTGVXAUSA-N 351.458 2.422 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356435596 HNWIPRKPCPRBTK-YIDJCFEKSA-N 362.422 2.461 30 1 FEEF O=C1C=C2O[C@]3(O)C[C@H](O)c4c(O)cccc4C3=C2c2cccc(O)c21 13368997 XZSXKBHGZJIDBP-VBKZILBWSA-N 350.326 2.245 30 1 FEEF biogenic C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@]1(CO1)[C@H]2CCC1=CCOC1=O 70451088 YQZCSRAURNLCEK-YANDEMMWSA-N 350.455 2.205 30 1 FEEF biogenic,in-vitro C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](O)[C@H](O)[C@@H](C)CCC/C(C)=C\CC[C@@]2(C)O 31894925 BUWBYKNJAXDGRB-LMIXSATNSA-N 352.471 2.494 30 1 FEEF CN(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)c1cnccn1 146890248 MBOGFJVUHQTVMV-UHFFFAOYSA-N 371.441 2.430 30 1 FEEF 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COc1ccc(C#Cc2cc(Cl)ccc2OC)c(S(N)(=O)=O)c1 587918441 RPNIXBRJCRAYNX-UHFFFAOYSA-N 351.811 2.404 30 1 FEEF C=C1C(=O)O[C@@H]2CC(COC(=O)C(C)=CC)=CCC[C@]3(C)O[C@@H]3[C@H](O)[C@H]12 2356393440 KDWPCCAWYRSQIW-RXFYRGCNSA-N 362.422 2.222 30 1 FEEF C[C@H]1CO[C@@H]2C(CNc3ccccc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 52996748 IUVCYWOCRZAXQI-WOVYWWTOSA-N 370.380 2.271 30 1 FEEF CCOC(=O)[C@@H]1SC(/N=C(\S)NC(=O)c2ccccc2)=N[C@@H]1C 66112235 MZPBECCLKHKXBO-MWLCHTKSSA-N 351.453 2.125 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/CO)C/C(C)=C\CC[C@@]1(C)O[C@H]21 36374460 CQZUJMJORLOTCJ-BTALYUKUSA-N 362.422 2.222 30 1 FEEF COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587805970 HCKSDMOZBZZGRW-KWKYVRJSSA-N 356.191 2.405 30 1 FEEF CCOC(=O)C[n+]1cccc(C2(c3cc4ccccc4[nH]3)OCCO2)c1 1858572 DVZNKYQGWPDDJC-UHFFFAOYSA-N 353.398 2.266 30 1 FEEF CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@]3(C)O[C@@H]3C[C@@H](O)[C@]12C 2356331793 RDXWJBVCSVKCQR-SCVUUARCSA-N 366.454 2.070 30 1 FEEF COC(=O)[C@]1(Cc2cccc(OCc3ccccc3)c2)C[C@@H]1C(=O)NO 29134862 YSOHBNNUZLJFTL-YLJYHZDGSA-N 355.390 2.493 30 1 FEEF C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 100784198 DBFXNHHIIKEXPP-JXYPSQHXSA-N 364.438 2.046 30 1 FEEF endogenous,in-man N#Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(F)c2)c([N+](=O)[O-])c1 64448330 NZWMRCYVXDTUCT-UHFFFAOYSA-N 366.286 2.315 30 1 FEEF N#CCNC(=O)[C@@H](CC1CCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 38445512 ROEYDSBTJWWOBZ-QGZVFWFLSA-N 372.425 2.437 30 1 FEEF O=C(Nc1ccc(Br)cc1)C1=C(O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 169344895 XMQHZQOROCXRRA-QCNOEVLYSA-N 362.179 2.352 30 1 FEEF CC(C)C1=C(O)C(=O)C2=C(C=C3OC(=O)[C@]4(C)CC[C@H](O)C(=C2)[C@@H]34)C1=O 2356338051 LIOHNCKMCBYMAR-NRKGENKXSA-N 356.374 2.061 30 1 FEEF CCOC[C@H](COc1ccccc1NC(=O)CC[S+](C)C)OC(C)=O 26992788 KCVXVCVPHGNDOP-OAHLLOKOSA-O 370.491 2.240 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=O)C[C@]3(C(C)C)O[C@]13C[C@H](O)[C@H]2C 2356866310 WETJRZWHNALISL-YFHUHAPDSA-N 364.482 2.244 30 1 FEEF COC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(OC)c(O)c42)C3=CC1=O 13359561 XGLLFVAWDVSAJU-LHSJRXKWSA-N 371.433 2.337 30 1 FEEF biogenic C=C1C[C@@]23C(=O)C[C@@H]1C[C@H]2[C@]12CCC[C@](C)(CN(CCO)C1)[C@H]2C[C@H]3O 14857668 BSIXUKDXPORSEL-QMOJQREWSA-N 359.510 2.393 30 1 FEEF CNCc1cc(-c2ccccc2C#N)n(S(=O)(=O)c2cccnc2)c1 84710146 FFNVFNSWHSBLRZ-UHFFFAOYSA-N 352.419 2.378 30 1 FEEF C=C1C(=O)[C@]23C[C@H]1C(=O)C[C@H]2[C@@]12C(=O)CC[C@@]4(C)CN(CC)[C@H]1[C@@H]3C[C@H]42 1857573851 VZLDUDKADCKKKZ-DCUGNYIBSA-N 353.462 2.416 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@H](OC(=O)C[C@H](C)CO)[C@@H]12 2356462689 AZJBNIAMAOUEAH-CKNFYHOISA-N 364.438 2.063 30 1 FEEF CCNC(=N)N/N=C/c1ccc(OCc2cn3c(C)cccc3[n+]2C)cc1 26829941 ZZMRRDGDVTXTFY-FSJBWODESA-N 365.461 2.119 30 1 FEEF C=C1[C@H]2CC[C@H]3[C@@](C2)([C@H](O)[C@@H]2OC(=O)[C@@]4(C)CC[C@@H](O)[C@]3(C)[C@@H]24)[C@@H]1F 2356596989 RPTBSUYWCIMCJT-HPHNJIPVSA-N 350.430 2.380 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@]3(C)[C@H](O)C(=O)C(OC(=O)CC(C)C)=C(C)[C@H]3C[C@@H]12 2356635555 BVGITALSDLQLPL-QNMVZKKKSA-N 362.422 2.307 30 1 FEEF O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@H](O)[C@@H]2O[C@H]32)c2cccc(O)c21 2356785335 ABQWPANFECMPDF-UBOBNBGRSA-N 352.342 2.203 30 1 FEEF C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)C[C@H]12 143760775 MKEUEUUTTBUCBV-VDEHRMESSA-N 350.411 2.404 30 1 FEEF COCC#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)Cc3ccccc3)[C@H]2CO)cc1 95898231 ZCPNEUJBLOUKDH-QNWVGRARSA-N 374.440 2.106 30 1 FEEF C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 257430211 GWJAUARFGPKLMT-ZYRLMNHGSA-N 364.438 2.046 30 1 FEEF endogenous,in-man N#CCC(=O)N1CCCC[C@@]12CCN(c1c(Cl)cnc3[nH]ncc13)C2 169699030 XEFMBWKMHPBMFK-KRWDZBQOSA-N 358.833 2.486 30 1 FEEF COC(=O)c1cc2c(s1)C(=O)C(Cl)=C([n+]1ccc(OC)cc1)C2=O 84687610 NWZNZUJRRJNLFX-UHFFFAOYSA-N 364.786 2.317 30 1 FEEF C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O[C@@H]2OC 95912610 HZXIWBLGRBHNQF-JYNZHCRNSA-N 362.466 2.057 30 1 FEEF biogenic,in-vitro C=CC[C@H](Nc1ccccc1)[C@]12C=C[C@@H](O1)C(C(=O)OC)=C2C(=O)OC 169294665 OATWETZGGLHRAC-SIFCLUCFSA-N 355.390 2.393 30 1 FEEF CCOC(=O)c1nn(-c2ccc(Br)nc2)c(OCC)c1C#N 587876271 MXWQYWBIRNGFLX-UHFFFAOYSA-N 365.187 2.477 30 1 FEEF C[C@@](O)(C#Cc1cccc(-c2c[nH]c3c[nH]c(=N)nc23)c1)c1cnccn1 1857561047 KNEZMTMNCVJMDR-HXUWFJFHSA-N 356.389 2.087 30 1 FEEF COC(=O)[C@@H](Cc1ccc(OCC=C(C)C)cc1)N(O)C(=O)C(C)=NO 2356334982 RCHYEYQIAQKMMP-MRXNPFEDSA-N 364.398 2.184 30 1 FEEF COC1=C[C@H]2C3=C(C(=O)CCc4cc(OC)c(OC)c(OC)c43)[C@@H]2C1=O 2356586926 SJRZHARJVKRVOM-MGPLVRAMSA-N 356.374 2.340 30 1 FEEF CC(=O)ON/C=C1\C(=O)N2C=CC=C(C)C2=N\C1=N\Cc1ccccc1 18152398 XATYHFOJWKKEPL-GQDRCPIRSA-N 350.378 2.251 30 3 FEEF O=C(O)CC(=O)OCCCCC=CC1=C(O)C(=O)c2cccc(O)c2C1=O 2356443925 DHKBKNGQTAVCEP-UHFFFAOYSA-N 374.345 2.328 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 2356401949 VDQCKUZZTGKPLY-BGBSZCBUSA-N 360.406 2.237 30 1 FEEF CC[C@@H](C=C(C)C=CC(=O)C1=C(O)[C@H](Cc2ccc(O)cc2)NC1=O)CO 2356614966 PSOFBXYYROFASO-YOEHRIQHSA-N 371.433 2.335 30 1 FEEF N#Cc1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)nc1 34808954 XFSMWLHLZSVJAB-UHFFFAOYSA-N 361.409 2.009 30 1 FEEF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H]([C@]23COCC[C@H]2O3)N1 962699242 IAVMVSQRYORSTA-JLNYLFASSA-N 361.291 2.042 30 1 FEEF CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCc3ccco3)n2)o1 13557276 SLHSGEMDLJGLSY-UHFFFAOYSA-N 359.411 2.368 30 1 FEEF COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 13815659 RJJOIUHYOFJCSH-MEDHRJKHSA-N 356.330 2.274 30 3 FEEF C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCO)[C@H]1O[C@@H]3C[C@H]42 169312930 QTEVWMFKQLIKPI-YCGNQCEPSA-N 371.477 2.284 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1CCC(COCC(=O)OCC)=CCC[C@@]1(C)O[C@@H]21 1857627652 YWSGIUUHTWAUNN-PCODUJHASA-N 350.411 2.322 30 1 FEEF C[C@@H]1CC/C(=N\Nc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 101177393 QZXBQMNTUAHQPZ-AGIVMUTNSA-N 362.773 2.472 30 1 FEEF C[n+]1c(-c2ccc(/C=N/N=C(\N)N3CCSC3)cc2)cn2ccccc21 26833315 MNFVLBIKCKPKCI-CIAFOILYSA-N 365.486 2.086 30 1 FEEF C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 29134025 AFRTUXMOKYWHEU-CPQYAMBSSA-N 362.422 2.055 30 1 FEEF O=S(=O)(N[C@H]1CNC[C@@H]1S)c1ccc(Oc2ccccc2)cc1 96270021 GMZKTGPEGIDKPG-HOTGVXAUSA-N 350.465 2.027 30 1 FEEF N#Cc1nc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2nc1C#N 587081626 RRNBQWLYIVCJFJ-UHFFFAOYSA-N 351.757 2.350 30 1 FEEF CN(C)[C@@H]1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 205787346 OEJAFJGBRHBOQJ-CYBMUJFWSA-N 371.462 2.027 30 1 FEEF C=C1CO[C@@H]2C=C(C)CC[C@H](O)[C@](C)(O)CC=C[C@@](C)(O)CC[C@@]12O 2356577776 QWQCCBLIKLMUJQ-OMQSBVIBSA-N 352.471 2.002 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=O)C[C@]3(C(C)C)O[C@]13C[C@H](O)[C@@H]2C 2356866304 WETJRZWHNALISL-JLIMDLJTSA-N 364.482 2.244 30 1 FEEF C=C1C=CC(=O)[C@]2(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]3C(=C)C(=O)O[C@@H]3[C@H]1O2 195909534 RAPFQXPCDZDZJK-MABAJHDZSA-N 358.390 2.205 30 1 FEEF COCC(=O)N1[C@H](CO)[C@@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H]1C#N 95898118 FOQJOAXBJHEYGA-VWPQPMDRSA-N 366.461 2.444 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccc(C)cc2)[C@@H]1CO 95667398 QSTKMSOVKORZCK-SVFBPWRDSA-N 350.418 2.487 30 1 FEEF NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C#CCO 473179063 CDICEXOTTUXIGT-UHFFFAOYSA-N 366.402 2.073 30 1 FEEF CCNC(=O)c1c(C)sc2nc(Cc3cccc(C#N)c3F)cc(=O)n12 653856878 YKSHENBJFIOPKN-UHFFFAOYSA-N 370.409 2.416 30 1 FEEF CCOC(=O)Nc1cc(-c2csc(N=C(N)N)n2)cc([N+](=O)[O-])c1 45316334 RKMABAZRTLWEBS-UHFFFAOYSA-N 350.360 2.192 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@@](C)(O)CC)/C(C)=C\CC[C@@]1(C)O[C@H]21 140991790 QFUNFKDZAWYCRV-AUKXKXGOSA-N 364.438 2.445 30 1 FEEF COc1ccc(C(=O)N[C@H](C(=O)NO)C(C)C)cc1OC1CCCC1 13777056 VIAKIYHEOUFMGE-INIZCTEOSA-N 350.415 2.276 30 1 FEEF C=CCNC[C@@H]1CCN(CCc2c[nH]c3ccc(-n4cnnc4)cc23)C1 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endogenous,in-man CC(C)(C(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2)c1ccc(C#N)cn1 100075753 ZTAWWPCARCIRRE-CGABQSEVSA-N 366.465 2.027 30 1 FEEF C=C(CCC(=O)OC)[C@@H]1CC[C@](C)(O)[C@@H]1COC(=O)CCC(=O)OCC 2356523143 ITMUYAPLCIMATN-KHYOSLBOSA-N 370.442 2.160 30 1 FEEF C#C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc(C(=O)OC)c1 2356751710 INOPSFKGBHUBJL-KEYYUXOJSA-N 357.479 2.103 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H]1CO 95897869 AINXGCJTFTULJC-AQNXPRMDSA-N 372.490 2.230 30 1 FEEF C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC(=O)C(C)=C2[C@H]2OC(=O)[C@@H](C)[C@H]12 1857557154 JPMBKMRFHHKKBU-LAZUAQPYSA-N 362.422 2.102 30 1 FEEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 8299010 VNCQCPQAMDQEBY-DCTHVCBSSA-N 362.422 2.255 30 1 FEEF in-man COCCN(C)c1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 113256876 AVLJFYFLDUFCES-MRXNPFEDSA-N 366.465 2.026 30 1 FEEF C#CCNc1ncnc2sc3c(=O)n(-c4ccc(OC)cc4)cnc3c12 71295943 LTOOSUBYNLLHOM-UHFFFAOYSA-N 363.402 2.444 30 1 FEEF COc1cc(N/C(=N/C#N)NCCCn2cncc2C)cc(OC)c1OC 45253588 PGBCZFHOYGHCLS-UHFFFAOYSA-N 372.429 2.146 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356670562 SSPLNYVJVYXFMB-PRDOKKDXSA-N 364.438 2.301 30 1 FEEF O=C(/C=C/c1ccc(O)c(O)c1)CC(=O)/C=C/c1cc(O)c(O)c(O)c1 38463491 UGAVYMWRQVLQHJ-GRSRPBPQSA-N 356.330 2.470 30 1 FEEF NC(=S)N/N=C(\c1cc(O)cc(O)c1)c1cccc(Br)c1 1772615556 LBSCROAMTXMDNZ-LGMDPLHJSA-N 366.240 2.446 30 1 FEEF O=S1(=O)N=C(N(CCO)/N=C\C=C\c2ccccc2)c2ccccc21 15974064 JYVLEFNEUSXBMY-MUFYDRSQSA-N 355.419 2.129 30 1 FEEF CC=C(C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)C[C@@H]3OC(=O)[C@@]1(C)[C@H]32 2356422028 CHVCBWJHQLHSFQ-IMQNYMPBSA-N 362.422 2.260 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@@]21COC(=O)[C@@H](C)CC 2356400312 WQZVDEURJSICGV-HIGWVBBGSA-N 364.438 2.184 30 1 FEEF CCOC(=O)c1nn(-c2ccnc(Br)c2)c(OCC)c1C#N 587876531 QNNUUMWYVXWCHY-UHFFFAOYSA-N 365.187 2.477 30 1 FEEF Cc1ccc(/C=N\NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)o1 13138398 CKXMFNMWIIFQLD-YBEGLDIGSA-N 366.468 2.159 30 1 FEEF Cc1ccccc1-n1c(O)c(/C=N/c2ccc(N(C)C)cc2)c(=O)[nH]c1=O 169689799 UZJDUTOALPNHIS-CIAFOILYSA-N 364.405 2.356 30 1 FEEF CC(=O)/C(=C\c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1857556654 YMJYNNBBJGHAJE-NTEUORMPSA-N 350.421 2.007 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)[C@@H](C)CC)[C@]1(O)CCC(=O)[C@@]21C 28637178 IFWDORHLHOVISL-KWWUNGLJSA-N 364.438 2.184 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@H](OC(=O)C=C(C)C)/C(C)=C/CC[C@]1(C)O[C@H]21 238782765 XYEXFSWBSVHZOV-CNMNZWAJSA-N 362.422 2.221 30 1 FEEF CCCCCCCCCCCCOC[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O 1772572466 ZXSSCNBYQALVIE-SPOLIRPYSA-N 362.507 2.378 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3O[C@@](O)(C=C3C)C[C@H](C)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356294197 APAGAPSSCPWRAW-WZSVIGEPSA-N 362.422 2.426 30 1 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(O)C(=C(C(C)C)C(=O)[C@@H]1C)C[C@@H](O)[C@@H]2C 2356661491 CZLKIWRMFVENLG-CFLWPOIRSA-N 364.482 2.004 30 1 FEEF C=C(C)[C@@H]1CCC2=C[C@@]3(C[C@@](C)(O)CC(=O)[C@@H](O3)[C@H](C)C(=O)C1)OC2=O 2356788982 CSZRXUALMANBOX-TWOLOYTPSA-N 362.422 2.246 30 1 FEEF N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2ccsc2c1=O 66101442 KCZKDUARZRJQHC-OAHLLOKOSA-N 365.462 2.305 30 1 FEEF CC(C)C1=C[C@H]2[C@@](O)(CC[C@@]2(C)O)[C@@]2(C)CC[C@@H]3O[C@@]3(CC1)C(=O)O2 2356788977 CSSYDBJXVRYEER-NPYRMBCDSA-N 350.455 2.488 30 1 FEEF Cc1ccc2c(c1)[C@]1(C(=O)N2C)C2=C(CN1C)C(=O)c1ccccc1C2=O 73312109 TVOUGKVGDHACQN-JOCHJYFZSA-N 358.397 2.488 30 1 FEEF CCc1oc(CCc2cc(N3CCOCC3)cc(NCC#N)n2)nc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c1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 587134311 MGMQCFXSZPNJSV-UHFFFAOYSA-N 366.324 2.330 30 1 FEEF COc1cc(-c2ccc3c(n2)C(=O)C=C(N2CC2)C3=O)cc(OC)c1OC 29054132 XYNUXHPJHZZJBM-UHFFFAOYSA-N 366.373 2.353 30 1 FEEF CCc1nc(N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 587890290 ZEISDCJZRCSUQG-UHFFFAOYSA-N 363.248 2.638 30 1 FEEF CCCc1cc(C2=N[C@@H](C(=O)NO)CO2)cc(OC(F)(F)F)c1OC 13474875 NSPXSMWKFKIIBA-SNVBAGLBSA-N 362.304 2.197 30 1 FEEF N#CCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 2492783 ALVXDPCUXMSMBQ-IRXDYDNUSA-N 367.405 2.109 30 1 FEEF CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(F)ccc43)[C@]2(C)SC1=O 71316062 FXDXGZXMYRMICQ-QZTJIDSGSA-N 363.410 2.476 30 1 FEEF CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@]1(C)O 85552709 LGZPXBXIIGFHEV-UHTWHWNNSA-N 368.470 2.063 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)CC(C)=C1C(=O)C[C@@H](C)[C@@]12O 96085416 SKWQNPANRJEPQJ-JTOVZCNQSA-N 360.406 2.022 30 1 FEEF in-vitro CS(=O)(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N 95866978 YAVSIOSUTYBUSS-RCCFBDPRSA-N 360.410 2.105 30 1 FEEF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@H](C)[C@@]23C[C@H](C=O)C(C(=O)O)=C3C1 2356358356 ONVFWWSLKLZNNB-QOTKAZNMSA-N 357.454 2.383 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)C(C)=CC)C[C@@]1(C)O[C@H]1CCC(=C)[C@H]2O 2356546320 HYTGQNKYAUKSKO-MVKVRZLJSA-N 362.422 2.221 30 1 FEEF C=CC[C@](C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCCCCCCCC 71318745 IHJNXYFBUQRAMW-AZUAARDMSA-N 370.534 2.295 30 1 FEEF CCC#CCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084972 CUJINOSCOWRCCK-UHFFFAOYSA-N 373.390 2.405 30 1 FEEF COCC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2cccc(C)c2)[C@@H]1C#N 95871966 LGGFASPISDVRGJ-QKNQBKEWSA-N 350.418 2.487 30 1 FEEF O=C(NCCCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NO 95563426 QDKHFNJIXLQMBN-SFHVURJKSA-N 355.438 2.425 30 1 FEEF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N 2492803 KKIYCJMQQBONRO-WOLLLPJESA-N 355.438 2.169 30 1 FEEF CCNC(=N)N/N=C/c1ccc(OCc2n(C)c3ccccc3[n+]2C)cc1 26835188 WIJDMFMLMXFDQR-YDZHTSKRSA-N 365.461 2.050 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H](OC(=O)C(C)=CC)C(C)=CC(=O)C=C(C)C[C@H](O)[C@@H]12 2356711314 SCJIZBIZKYTHRQ-MLHJIOFPSA-N 360.406 2.189 30 1 FEEF C=C1CC[C@@H]2CC[C@]34O[C@@]3(C2(C)C)[C@@](O)(C/C(C)=C/[C@@H](O)C1)O[C@@H]4O 197347159 BKKZGQQWVCLVFK-QVBZYUHFSA-N 350.455 2.405 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)O)cc1S(N)(=O)=O 587918446 RUQCOGPUJKRAKZ-UHFFFAOYSA-N 365.794 2.094 30 1 FEEF CN(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2 1772643692 VRSRHEKCWDTVRL-UHFFFAOYSA-N 364.409 2.207 30 1 FEEF CCOC(=O)C1=C(N)Oc2ccc(CC)cc2[C@H]1[C@@H](C#N)C(=O)OCC 29464668 NJPLTYJHRHWLJC-HIFRSBDPSA-N 358.394 2.161 30 1 FEEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O 62234928 DBFXNHHIIKEXPP-SYQCQFRBSA-N 364.438 2.046 30 1 FEEF in-man Cc1ccc2c(/C=N/NC(=N)N)cn(S(=O)(=O)c3ccccc3)c2c1 64559742 FLVAEJOPNBXRFZ-KEBDBYFISA-N 355.423 2.004 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)CC(C)C)C(C)=CCC[C@]1(C)O[C@H]21 2356518487 ROXAJHABJATWNH-ZGRIBIJBSA-N 364.438 2.301 30 1 FEEF C=CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](c1ccccc1)CN2 82208457 MFRAMRGAKKQWDD-INIZCTEOSA-N 364.405 2.416 30 1 FEEF C[C@H](O)[C@@H](C=O)[C@@H]1N=C(C(=O)O)[C@H](Sc2c[nH]c3ccccc23)[C@@H]1C 584904888 AXGRCXYYLJVWGE-PQRHUAHCSA-N 360.435 2.368 30 1 FEEF in-vitro CN(C)S(=O)(=O)c1cccc2nc(COc3ccc(C#N)cc3)[nH]c12 587191185 QQGVVNIJGODJHC-UHFFFAOYSA-N 356.407 2.264 30 1 FEEF CN(/N=C/c1c2ccccc2c(/C=N/N(C)C(=N)N)c2ccccc12)C(=N)N 27560672 PHDKRBNFTPKOQG-KOZSXFMUSA-N 374.452 2.311 30 1 FEEF N#Cc1ccc(CN2C(=O)[C@]3(Cn4nncc4CO3)c3ccccc32)cc1 473091446 YBSLUBDGFFCNTM-FQEVSTJZSA-N 357.373 2.122 30 1 FEEF CC(C)CC/N=C(\O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(=O)[nH]c2c1 2952633 AXAGOKRWNJKCNP-AWEZNQCLSA-N 359.426 2.220 30 1 FEEF C=C(C)[C@H]1C[C@@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C 104351994 MFJWBSPRMQOETE-JCHCZUQESA-N 360.450 2.298 30 1 FEEF in-man CCCCCCCCC1=C(OC)C(=O)C2=C(NCCS2(=O)=O)C1=O 101947706 YASJXOUOGUCIBD-UHFFFAOYSA-N 355.456 2.019 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C=C[C@@](C)(C[C@H](OC(=O)[C@H](C)CC)[C@H]12)O3 2356605887 UWJROGRZEPMISK-IAIWWTKMSA-N 362.422 2.426 30 1 FEEF N#C[C@@H]1CCCN1C(=O)[C@@H]1CC=C[C@H]2CN(OCc3ccccc3)C(=O)[C@@H]21 653873829 WYYGLZBLYMJZRU-OKYOBFRVSA-N 365.433 2.283 30 1 FEEF NC(=O)c1ccnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587888918 DHJFPYAJSFKZOE-UHFFFAOYSA-N 362.216 2.198 30 1 FEEF Cc1nc(SCc2cc(N3CCOCC3)cc(NCC#N)n2)n(C)c1C 43013279 BVDPSUAZHYUEMT-UHFFFAOYSA-N 372.498 2.496 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C=C(C)C)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 257555286 UMHQHFHQQZZQGN-VPJLCNNBSA-N 364.438 2.301 30 1 FEEF endogenous,in-man CCN(C1=CC(=O)c2c(CCNC(=O)OC)n[nH]c2C1=O)c1ccccc1 45336820 SEXXKKPKSXJTJW-UHFFFAOYSA-N 368.393 2.098 30 1 FEEF C#CCOc1ccc(NC(=O)CN2CCCC2)cc1C(=O)NCCCC 84707110 AEPPJVXUSBEAOV-UHFFFAOYSA-N 357.454 2.263 30 1 FEEF CCC(CC)=N/N=C1\SCC(=O)N1CN1C(=O)c2ccccc2C1=O 653795307 XJUBVGNJAPWQSR-ZPHPHTNESA-N 358.423 2.348 30 1 FEEF NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccn1 587882248 QRWSSOFBIMOBAN-UHFFFAOYSA-N 362.216 2.198 30 1 FEEF C=C1CC[C@H]2CC[C@]34O[C@]3(C2(C)C)[C@](O)(CC(C)=C[C@@H](O)C1)O[C@@H]4O 2356423488 BKKZGQQWVCLVFK-YZOVGUKHSA-N 350.455 2.405 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC[C@](C)(O)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356425227 ATUPZONNYSDDBY-BAPGRXHISA-N 364.438 2.204 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)CC[C@@](C)(C[C@H](OC[C@@H](C)CC)[C@@H]12)O3 2356503660 PCHLUXXZPOQAHL-JWHOPSBMSA-N 366.454 2.096 30 1 FEEF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC[C@H](O)[C@@](C)(O)CCC2=O 2356605200 XKBRDBANUUJFAR-BVJMBNRTSA-N 366.454 2.057 30 1 FEEF C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)C(=C(C)C)C(=O)[C@@]2(O)O[C@@H]1C(=O)[C@@H]2C 34640909 CBDPOOIAXADJQU-RAPGNJMKSA-N 360.406 2.022 30 1 FEEF C[C@@H]1CC(=O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]12C[C@@H](c1ccoc1)OC2=O 38895199 KRDZPLIXVXKNST-AVIVPSALSA-N 360.406 2.411 30 1 FEEF biogenic C=C1NC=C(C#Cc2cc(Cl)ccc2OC)C(=O)N1Cc1nonc1C 587912624 MBBUXAPIMVQYJD-UHFFFAOYSA-N 370.796 2.379 30 1 FEEF COc1cccc(C/N=C(\O)CCn2c(=O)[nH]c3ccsc3c2=O)c1 3896561 QOLTYBQOLVEBII-UHFFFAOYSA-N 359.407 2.307 30 1 FEEF C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 8242287 VNCQCPQAMDQEBY-ZLIQWIABSA-N 362.422 2.255 30 1 FEEF in-man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biogenic,in-vitro C=C[C@]1(C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1OC(=O)[C@H](C)CC 238748683 RVPNMMMHNAJZDK-YVKDHSNVSA-N 360.406 2.346 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)[C@H]3OC3(C)C)[C@@H]12 238774319 GZCIZALSNIRPJI-LUTCUDFDSA-N 362.422 2.221 30 1 FEEF CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](CS(=O)(=O)[C@@H]2CC[C@@H](C#N)C2)C1 261108216 HRRLZKHIEGDCQZ-APIJFGDWSA-N 373.482 2.280 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H]3C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3 17126445 UEFXHAIMDIUNBV-QBTZSDTESA-N 362.422 2.221 30 1 FEEF CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)N1CCC[C@H]1C(=O)O 66166645 IFWLZCDJPIGOIX-CQLTVICGSA-N 361.438 2.241 30 1 FEEF C=C[C@H](C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O 1911583289 UXKWIGGELSTRMR-INIZCTEOSA-N 367.497 2.434 30 1 FEEF C[C@@](CCc1ccc(C2=CCSCC2)cc1)(C(=O)NO)S(C)(=O)=O 145269723 SBVIWCQJOMDZSC-QGZVFWFLSA-N 369.508 2.448 30 1 FEEF C=C1C[C@H](c2ccc(NC(=N)N)cc2)[C@@H](NC(=O)c2ccccc2)C(=O)O1 13651072 DAGLKJZKVSWYJY-IAGOWNOFSA-N 364.405 2.335 30 1 FEEF C/C(=N/O)c1ccc(NC(=O)Cn2[nH]c(-c3ccccc3)nc2=N)cc1 1857769292 DWJFAXIEPQZZCV-FMCGGJTJSA-N 350.382 2.195 30 1 FEEF C=C1C[C@H]2C=C(CC[C@](O)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O)C(=O)O2 2356450207 LOIIZBXZZSSECJ-RAUXBKROSA-N 350.455 2.414 30 1 FEEF O=C(CC[S+](O)CCC(=O)NCc1ccccc1)NCc1ccccc1 3683329 RKTUHAPPKPAAIP-UHFFFAOYSA-O 373.498 2.491 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@H]3C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)=CC)[C@@H]12)O3 2356529111 UEFXHAIMDIUNBV-TXJWRWGXSA-N 362.422 2.221 30 1 FEEF C=C(C)[C@H](O)CCC(C)=C[C@H](O)CC(=CCOC(C)=O)COC(C)=O 2356607635 XYDCQTVQGVBJLE-RBUKOAKNSA-N 354.443 2.454 30 1 FEEF CCCCCCCCCCC(=O)COC1=C(O)C(=O)O[C@H]1[C@H](O)CO 44117271 SPKOJOMVUIWVAV-ZBFHGGJFSA-N 358.431 2.151 30 1 FEEF Cc1ccc(/C=N/NC(=S)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1 96921913 HAVDLCCJLMGFMF-KEBDBYFISA-N 370.434 2.130 30 1 FEEF O=C1c2ccc(O)cc2O[C@@]2(COC(CO)=CC2=O)[C@@H]1c1ccc(F)cc1 587356063 HTGTZRBBISAJJH-UYAOXDASSA-N 370.332 2.105 30 1 FEEF COc1cccc(NC(=S)NNC(=S)N/N=C(\C)c2ccccn2)c1 13650682 GDWMBEYHDNEJCI-YBFXNURJSA-N 374.495 2.180 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3[C@@H](OC(=O)C(C)=CC)[C@H]12 2356435593 HNWIPRKPCPRBTK-GGNXZNCYSA-N 362.422 2.461 30 1 FEEF CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1CO 95866611 YAVSIOSUTYBUSS-OKZBNKHCSA-N 360.410 2.105 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12 257412061 DZTWAOVNNLDWNH-SPMLGKFCSA-N 362.422 2.221 30 1 FEEF endogenous,in-man C=CCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1 202691414 LELDLNVPLOJJKK-UHFFFAOYSA-N 365.418 2.216 30 1 FEEF Cc1c(C)c2c(c(N)c1C#N)C(=O)N(NC(=S)Nc1ccccc1)C2=O 5930373 WSRMAEVZVIZRSZ-UHFFFAOYSA-N 365.418 2.255 30 1 FEEF C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CC[C@H](O)C(C)(C)[C@H]1C[C@H]3O[C@@H]2OC 95910151 ZRXOXYAHFDNILZ-JYNZHCRNSA-N 362.466 2.057 30 1 FEEF biogenic,in-vitro Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NCC#N)CC2)cc1 95554809 QONCHQJAALKJOG-RTBURBONSA-N 368.481 2.090 30 1 FEEF C#Cc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N 587889889 DUQVCZOORTYRIG-UHFFFAOYSA-N 359.216 2.057 30 1 FEEF CN(C)c1nc(NN/C=C2\C=CC=CC2=O)nc(Nc2ccc(F)cc2)n1 13122283 TVNVXHIAFYBKKW-VAWYXSNFSA-N 367.388 2.316 30 3 FEEF CC=C1CN2CC[C@]34c5cccc(O)c5N(C(C)=O)[C@@H]3[C@H](C=O)[C@H]1C[C@@H]24 2356475720 NNNSFAGHABHLPY-CPAOWXQGSA-N 352.434 2.234 30 1 FEEF CCCCCCCC1=CC2=CC(=O)O[C@]2(C)[C@](C)(O)[C@@]1(O)C(=O)OC 2356701126 VHXMUQYFTZWCCK-FHWLQOOXSA-N 352.427 2.184 30 1 FEEF CO/N=C(/c1ccc(Cl)cc1)[C@@H](O)CN1CCN(c2ccccn2)CC1 36216653 QIVGZELWYADNGV-UBZKEQBWSA-N 374.872 2.269 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95898006 QCLTUJIBAMFGJE-HBFSDRIKSA-N 354.381 2.318 30 1 FEEF CCc1c(C)c(C#N)c2nc3ccc(NC(=O)[C@@H]4CCNC4)cc3n2c1O 621431724 ACWMLVGRMBOGRO-GFCCVEGCSA-N 363.421 2.484 30 1 FEEF O=C(CCCCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)NO 1857564673 BZSGIZBNTRIRIE-UHFFFAOYSA-N 371.349 2.410 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C[C@H](OC)[C@@](C)(C[C@H](OCC(C)C)[C@@H]12)O3 2356562225 QGVLFHYKTCRSKD-QRNRZKQXSA-N 366.454 2.358 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(C)O[C@@H]1CC[C@@]1(C)O[C@H]21 2356663010 POQGONFMEJCHNG-MKFHVVEZSA-N 362.422 2.461 30 1 FEEF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H](C)[C@@]23C[C@@H](C=O)C(C(=O)O)=C3C1 2356856691 SCTKLJXFJJPZCY-WQSLLIHCSA-N 359.470 2.259 30 1 FEEF C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 95876987 QJZIHDAGXDAYFK-VAFVZNMKSA-N 368.521 2.053 30 1 FEEF COC1=C(OC)[C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4[C@]2(CCN3C)CC1=O 14719950 YRYHFXJRUQQCBR-XQAUZQBESA-N 373.449 2.295 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(CCC)nn3)CC(=O)[C@@]21C 169351057 UWOABYPXDSMZTB-HLUYVDKTSA-N 373.453 2.010 30 1 FEEF COC(CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccn1)OC 103919635 ZLQWCSBAHGLHTA-GROYHEBESA-N 368.389 2.122 30 3 FEEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)CC[C@@](C)(C[C@H](OC(=O)C(C)C)[C@H]12)O3 2356615221 ZYOJIZKOPNSJGE-WCVDCBDPSA-N 350.411 2.260 30 1 FEEF NC(N)=Nc1nc(-c2cc(NC(=O)C(F)(F)F)cc([N+](=O)[O-])c2)cs1 45301181 KFBKYDWITRLSSP-UHFFFAOYSA-N 374.304 2.124 30 1 FEEF CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H]1CO 95668092 MDUKBQJNNTZDSK-FGTMMUONSA-N 360.410 2.105 30 1 FEEF C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@@H]2OC(=O)[C@]3(C[C@@H](C)O3)[C@@H]21 85899556 CARWXVQCHUGFKF-DVRBESTGSA-N 374.433 2.078 30 1 FEEF biogenic CC(=O)Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587885358 FLOGTVGXOZKVKV-UHFFFAOYSA-N 364.232 2.489 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(\C)C(=O)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 169354301 QZRJGJCGCXCSOM-LSDPYTSJSA-N 360.406 2.429 30 1 FEEF N#CCC(=O)N1CCC[C@@]12CN(c1ncnc3[nH]ccc13)CCC2(F)F 169698972 BGEBGCJWXNOHDZ-INIZCTEOSA-N 360.368 2.078 30 1 FEEF O=C1C=C[C@]2(O[C@@H]3c4c2ccc(O)c4C(=O)C[C@@H]3O)c2cccc(O)c21 2356618684 CUCGWOIZXKTFMJ-YSSFQJQWSA-N 350.326 2.113 30 1 FEEF CNc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O 40860689 WLLFZPQWXZPVTP-UHFFFAOYSA-N 362.393 2.077 30 1 FEEF CC[C@H](C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)C(C)=C[C@@H]3OC(=O)[C@]1(C)[C@H]32 263592396 ABLNQMKQYJQVRR-ULJGLZKRSA-N 362.422 2.260 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 523042403 OPVWRQVYITXONM-RAUCPKFUSA-N 362.422 2.461 30 1 FEEF biogenic CS/C(N)=N/N/C=C1\C=C(Br)C=C(Br)C1=O 13119297 TXMXVEYGDORZFY-SNAWJCMRSA-N 367.066 2.193 30 3 FEEF O=C1C=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]1N2Cc1ccccc1 195473912 WKEXHQLBCFZJRL-BTHPGYMESA-N 358.397 2.184 30 1 FEEF C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C=CC(=CCO)C(=O)O 2356742638 OBESDOWPJJESMH-YSDSKTICSA-N 350.455 2.288 30 1 FEEF O=C(/C=C/c1ccc(O)c(O)c1)C[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 70454608 FLOHMUHVWAXLJI-FNVMNULWSA-N 358.346 2.425 30 1 FEEF biogenic,in-vitro COCC#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)Cc3ccccc3)[C@@H]2CO)cc1 95898230 ZCPNEUJBLOUKDH-XPNTWCBSSA-N 374.440 2.106 30 1 FEEF COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)no1 587890468 IHTPGFBJXOJXHY-UHFFFAOYSA-N 367.188 2.478 30 1 FEEF Cc1ccc(NC(=O)C[n+]2ccn([C-]3C(=O)c4ccccc4C3=O)c2)cc1 169691812 HTCOASBTXZKEFI-UHFFFAOYSA-N 359.385 2.182 30 1 FEEF CC(C)N1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]1CCO 22918565 PZTYEXVXGJMSBA-INIZCTEOSA-N 350.528 2.148 30 3 FEEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)C=C(C)C)[C@]1(O)CCC(=O)[C@@]21C 2356625634 TYAWIPYSWAZYAE-QKDJTJGBSA-N 362.422 2.104 30 1 FEEF Cc1ccccc1S(=O)(=O)N1Cc2ccc(/C=C/C(=O)NO)cc2C1 72177141 OBRYEOWKEAMGII-VQHVLOKHSA-N 358.419 2.218 30 1 FEEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)N(CC(=O)O)C2=O 587908088 UBVUWMIHFKIVGX-UHFFFAOYSA-N 369.760 2.429 30 1 FEEF Cn1ncc(C(=O)O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587890185 UJLKFQZBXBSIDB-UHFFFAOYSA-N 366.204 2.136 30 1 FEEF CC/C(=N\C[C@H]1CCCO1)c1c(O)nc(=O)n(-c2ccc(OC)cc2)c1O 1779673508 VWAHBPLYZUPHHU-DUHXBFFASA-N 373.409 2.030 30 1 FEEF COC1(C#C[C@@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1 13783022 BQIZFVANVXCUDO-OKZBNKHCSA-N 350.411 2.158 30 1 FEEF O=N[C@H](Cc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NCCS 169727931 CGDLMPPQJOPZRH-SNVBAGLBSA-N 362.205 2.081 30 1 FEEF CC(C)C1=C[C@@H]2O[C@]2(C)CCC[C@H](CO)C(=O)CC[C@H](C)[C@H](O)C1=O 2356384629 UOCSSAQKXPCRQA-DKZBQGCLSA-N 352.471 2.434 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)[C@H](OC(=O)C(C)=CC)[C@H](O)[C@]12O 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3 FEEF C=C1[C@H]2CC[C@]3([C@@H](C2)[C@@]24CCC[C@](C)(CN(CCO)C2)[C@H]4C[C@H]3O)[C@@H]1O 214500018 LAGBIQKFHSDYJZ-UHKZQNDXSA-N 361.526 2.185 30 1 FEEF C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C[C@@]1(CO1)[C@]31CC[C@]3(CCOC3=O)O1)OC2=O 238771307 PNDHVSKKANSYRU-JZPIDSQFSA-N 362.422 2.132 30 1 FEEF CO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C\Nc1ccccc1S(N)(=O)=O 653851644 LACMUKRBDRISHX-HGZMWJMZSA-N 374.418 2.186 30 1 FEEF C=C(C)C(=O)OCCOC(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399030 HLZATNSZTFNJMS-IBGZPJMESA-N 361.394 2.354 30 1 FEEF CC(=O)O[C@@H]1CC[C@@H]2C[C@]3(C=C[C@@H]21)C=C1C(=O)C[C@@H](C[C@H](O)CC3)OC1=O 2356378067 UZQGDDBSLRNAQX-KXYXBCQDSA-N 374.433 2.246 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]3O[C@@](O)(C=C(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12)C=C3C 2356287034 BWKCRURXVMIBRI-BAPGRXHISA-N 360.406 2.346 30 1 FEEF C#CCN1CCN(Cc2ccc(OC(=O)N(C)C)c3ncccc23)CC1 40974336 RHOJXZFJIKIOGA-UHFFFAOYSA-N 352.438 2.046 30 1 FEEF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(C)C(=O)[C@@H]1[N+](=O)[O-] 587388968 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COC1=C(O)C2=C3O[C@@H](C)C(C)(C)[C@]3(O)C(=O)c3c(C)cc(O)c(c32)C1=O 2356327739 HMMFFOZWOALJDZ-FHZGZLOMSA-N 372.373 2.396 30 1 FEEF CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@H](O)C[C@@H]2CC(=CCOCC(=O)O)C[C@H]21 2356330803 ARUGKOZUKWAXDS-WZKVNAJBSA-N 374.477 2.225 30 1 FEEF N#Cc1ccc(Cn2cncc2CN[C@@H]2CCN(c3cccnc3)C2=O)cc1 72175093 ZRVKNPIDTYYJCE-HXUWFJFHSA-N 372.432 2.093 30 1 FEEF CS(=O)(=O)c1cc(-c2cccc(Br)c2)nc(O)c1C#N 299868544 RRZXDOWHYBZEHD-UHFFFAOYSA-N 353.197 2.492 30 1 FEEF NC(N)=NC(=O)CCCCCCCCCCCCCCC(=O)N=C(N)N 28956631 JEYUJOMWPRNUFW-UHFFFAOYSA-N 368.526 2.048 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)[C@H]1O[C@@]1(C)CCC[C@@H](C)[C@H]2O 257555285 UMHQHFHQQZZQGN-QBBNSZTOSA-N 364.438 2.301 30 1 FEEF endogenous,in-man O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncnc2[nH]ncc12 587888853 BTNYTQKPQGMIIJ-UHFFFAOYSA-N 360.204 2.370 30 1 FEEF C=C1C(=O)O[C@@H]2C[C@H](CO)CCC=C(CO)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356596047 CJWRQPZAYLIOEX-TVFCKZIOSA-N 364.438 2.063 30 1 FEEF C=C1C[C@H](C[C@@]2(C)O[C@@H]2COc2ccc3ccc(=O)oc3c2O)OC1=O 15212367 RYBFLVMGRQCAQI-BBEGDGIKSA-N 358.346 2.297 30 1 FEEF biogenic C=CC[C@@H](Nc1ccccc1)[C@]12C=C[C@@H](O1)C(C(=O)OC)=C2C(=O)OC 100510968 OATWETZGGLHRAC-SXGZJXTBSA-N 355.390 2.393 30 1 FEEF C#CCN1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)CC1 22940469 CLVWIZLXTZIKFZ-JOCHJYFZSA-N 354.494 2.274 30 1 FEEF C=C1[C@H](OC(=O)C(C)=CC)[C@@H](O)[C@@H](C(C)C)[C@@H]2[C@H]1CC(=O)[C@@H]2OC(C)=O 2356670328 KNDUMMJWNDZYTO-QYXZOKGRSA-N 364.438 2.204 30 1 FEEF CNc1cccc2c1C(=O)[C@@H]1[C@@H]3C(O)=C(C(C)=O)C(=O)N3C(C)(C)[C@@H]1C2 2356744138 FNIHUSOGDPMUFQ-XFBWCDHKSA-N 354.406 2.104 30 1 FEEF O=C(/C=C\c1ccc(O)c(O)c1)C[C@H](Cc1ccc(O)c(O)c1)C(=O)O 238788380 FLOHMUHVWAXLJI-RRROIERXSA-N 358.346 2.425 30 1 FEEF C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@H](C(=O)CO)[C@]34C[C@@H](O[C@H]4O)[C@@H]12 1857624300 QUQBHBRVKLEOEI-FFVKWRGQSA-N 360.450 2.003 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(C)[C@H](O)CC[C@@H](OC)[C@H]21 2356617464 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2.362 30 1 FEEF C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5([C@@H]6CC[C@@]4(C)[C@@H](O6)N(CC)[C@H]15)[C@@H]3C[C@H]2O 255271624 ULFMQUVPNJZNKM-LXLLEUKKSA-N 357.494 2.156 30 1 FEEF COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@@]12C=CC(=O)[C@H]3[C@@H]([C@H](C)O)C2 263590721 LEXLSWSPSAWRIZ-RRMYABCXSA-N 369.461 2.041 30 3 FEEF C[C@@H](O)[C@H](N[C@@H]1CCCc2cc(C#Cc3ccccc3)ccc21)C(=O)NO 1772605586 PKNUMYKOJBKHSL-LPTQZCDUSA-N 364.445 2.308 30 1 FEEF CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2cccc(C#N)c2)no1 61908102 SUWRBEYEWTXRHB-OAHLLOKOSA-N 374.422 2.285 30 3 FEEF CC1=CC(=O)[C@H]2[C@]3(CCC[C@@]2(C)C(=O)O)C(=O)O[C@H](c2ccoc2)C[C@]13O 2356476072 ZRYAAYNBOQSVBG-VNEALKQTSA-N 374.389 2.405 30 1 FEEF C=C1[C@H](OC(=O)C(C)=CC)[C@H](O)[C@@H](C(C)C)[C@@H]2[C@H]1CC(=O)[C@@H]2OC(C)=O 2356670326 KNDUMMJWNDZYTO-CWKOXWSKSA-N 364.438 2.204 30 1 FEEF COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C#N)n1 149852371 GAWBOVGPOLKVAZ-MRXNPFEDSA-N 356.357 2.014 30 1 FEEF C=C1[C@@H](O)[C@@]23C[C@@H]4[C@H]5N(CC)C[C@@]6(C)CC[C@H](O)[C@]5([C@H]46)[C@@H]2CC(=O)[C@@H]1C3 255208663 DZSDMABPEQWYGR-ZYENZPRTSA-N 357.494 2.000 30 1 FEEF O=[N+]([O-])c1ccc(N2CCN(C(=S)N/N=C\c3ccccn3)CC2)cc1 1857597959 ZVMNMLQSMHZATL-UYRXBGFRSA-N 370.438 2.020 30 1 FEEF C=C(C)[C@H](O)CCC(C)=C[C@@H](O)CC(=CCOC(C)=O)COC(C)=O 2356607636 XYDCQTVQGVBJLE-RTBURBONSA-N 354.443 2.454 30 1 FEEF C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccncc3)cc2)C1=O 13491935 XKXZGTYAPMUIFV-VLIAUNLRSA-N 369.421 2.045 30 1 FEEF N#Cc1ccc(Oc2ccc3nc(C(=O)N4CCNCC4)ccc3c2)nc1 584632459 HAWTWFUADDLPBY-UHFFFAOYSA-N 359.389 2.339 30 1 FEEF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@H]2[C@H]2O[C@@](O)(C1)CC2=C 2356658483 UCNWFQSIKSARTF-ZTTBQOKTSA-N 360.406 2.346 30 1 FEEF CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3OC(=O)c1ccccc1 34136635 QCRBVIIYHUNOSY-ZDUSSCGKSA-N 363.373 2.154 30 1 FEEF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)CC(C)(C)O)/C(C)=C\CC[C@@]1(C)O[C@H]21 140992238 JQVNVUPVYVJHBR-QEYPUQIYSA-N 364.438 2.445 30 1 FEEF C=C1C(=O)C(C)=C2C(=O)N3Cc4[nH]c5ccccc5c4C[C@@]3(C(=O)OC)[C@@H]12 96018518 LGPWBPXCRWILTG-UWJYYQICSA-N 362.385 2.050 30 3 FEEF C=CCN1C(=O)S[C@@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)C1=O 587039407 RNSVPTITIXUXCU-HNNXBMFYSA-N 374.466 2.296 30 1 FEEF CNC(=S)N/N=C/c1cc2c(cc1O)OCC(c1ccc(O)cc1)=C2 1772630708 MHMUQROSTRVTQX-AWQFTUOYSA-N 355.419 2.459 30 1 FEEF CC1(C)Oc2ccc(N)cc2[C@@H](/N=C(\NC#N)Nc2ccccc2)[C@@H]1O 13741491 WXNNWVQWSFHJAI-SJORKVTESA-N 351.410 2.381 30 1 FEEF C#C[C@@H](CC(=O)O)Cc1nc(CCCc2ccc3c(n2)NCCC3)no1 28569511 KZYLTZUXEHTOHA-CYBMUJFWSA-N 354.410 2.265 30 1 FEEF CC[C@@H]1C[C@H](C)C(=O)C=CC=CC[C@H](C)OC(=O)C[C@H](O)[C@H](OC)[C@@H]1O 2356632966 VWVDRJWACDDRKD-ZOKGEJJOSA-N 368.470 2.183 30 1 FEEF C=C1[C@H]2CC[C@]3([C@@H](C2)[C@@]24CCC[C@@](C)(CN(CC=O)C2)[C@H]4C[C@H]3O)[C@@H]1O 138592072 RFWLUFWNDMEYFX-GADKELDLSA-N 359.510 2.392 30 1 FEEF N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)c1 84708808 RPNHMRQXEKXDFG-ZDUSSCGKSA-N 369.450 2.259 30 1 FEEF COCC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO 95898004 QCLTUJIBAMFGJE-WSTZPKSXSA-N 354.381 2.318 30 1 FEEF COC1=C(Cl)[C@@]2(C)OC(=O)c3c(O)cc(OC)cc3C2=C(O)C1=O 31168409 VAULHRHBSRWRKX-INIZCTEOSA-N 352.726 2.279 30 1 FEEF biogenic O=S(=O)(N/N=C/c1cccc[n+]1[O-])c1ccc2c(c1)Cc1ccccc1-2 169324664 ORWLGBAITYTMKL-DEDYPNTBSA-N 365.414 2.204 30 1 FEEF C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(OC)ccc1OC 101928594 HLEYJSQUESAVIU-DPEHCCBOSA-N 357.370 2.358 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=CCC[C@@]1(CO)O[C@@H]21 2356680627 OMABZDYFTUAZPH-SUFIHLRJSA-N 362.422 2.222 30 1 FEEF CO/N=C(/c1ccc(Cl)cc1)[C@H](O)CN1CCN(c2ccccn2)CC1 36216650 QIVGZELWYADNGV-LLWUOSFCSA-N 374.872 2.269 30 1 FEEF COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)c(C#N)c1)[C@@H](C2)C3=O 587447724 DNIIXYITUBGUSV-IFXJQAMLSA-N 369.398 2.459 30 1 FEEF O=C(NCc1ccc(S(=O)(=O)O)cc1)[C@H](CS)Cc1ccccc1 13449736 CZORFETWIUWXKI-HNNXBMFYSA-N 365.476 2.338 30 1 FEEF COC1=C(OC)[C@@]23CCc4ccc(O)c(OC)c4[C@@]2(CCN3C)CC1=O 15267740 VCOZOQJXGDDART-UXHICEINSA-N 359.422 2.136 30 1 FEEF biogenic,in-vitro C=C(C)[C@@H]1CC=C2C(=O)O[C@@H](CC(C)=CC(=O)[C@@H](OC)CC(=O)C1)[C@@H]2O 2356636125 WIWLIEUEOQQPHP-WEZQJLTASA-N 362.422 2.065 30 1 FEEF CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1CO 95866835 CFJIAGLDRQFYKD-IRFCIJBXSA-N 367.424 2.233 30 1 FEEF CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)[C@@H](C)S 13731995 CRNLQLRVDDAGHI-COXVUDFISA-N 366.527 2.449 30 1 FEEF COC(=O)[C@@]1(OC)C(OC)=C(OC)C(=O)/C1=C(O)/C=C/c1ccccc1 14715913 HCAPVVIPVHMKNC-ZUTXDENRSA-N 360.362 2.157 30 1 FEEF COC(=O)[C@H](CCCCNC(C)=O)[C@@H]1C(=O)C[C@@H]2C1=CC(=O)CC2(C)C 89456026 VINWJYXOFBHHFU-KYJSFNMBSA-N 363.454 2.213 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CCC(=O)[C@](C)(O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238772710 SZISADOJIZTCFZ-YBEOMTCESA-N 362.422 2.413 30 1 FEEF N#CC1(c2ccc(-c3ccc4c(c3)NC[C@@H]3[C@@H](CO)OC(=O)N43)cn2)CC1 299871130 XVGKFHFTXVFOOI-IAGOWNOFSA-N 362.389 2.415 30 1 FEEF C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)C1=O 587039797 VIGDNRFKICIDBD-CYBMUJFWSA-N 358.423 2.057 30 1 FEEF C=C1C(=O)O[C@@H]2C=C(COC(=O)[C@H](C)CC)CCC=C(CO)C[C@H](O)[C@@H]12 2356417649 HUNFBQHAFCSAPW-QRVDHSFSSA-N 364.438 2.063 30 1 FEEF COc1cccc2c1C(=O)C=C[C@@]21O[C@@H]2c3c1ccc(O)c3[C@H](O)[C@@H]1O[C@@H]12 2356723578 NITQFOMVGXXWTM-QGLKVJOYSA-N 364.353 2.283 30 1 FEEF C[C@]1(C#N)CC[C@H](O)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 221209347 DUPWZJZDYVPDRE-DHSIGJKJSA-N 357.389 2.480 30 1 FEEF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3cccc(C#N)c3)cc2)CC1 96172296 NMMOMPSSJOYQTJ-YADHBBJMSA-N 374.488 2.445 30 1 FEEF CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 85967581 OMMKXICLKWYTNA-PYQAKABTSA-N 360.406 2.016 30 1 FEEF biogenic CNC(=O)c1ccn(Cn2cc(C#Cc3cc(Cl)ccc3OC)cn2)n1 587909226 MZISFKKYRMEMIR-UHFFFAOYSA-N 369.812 2.007 30 1 FEEF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2nc(C#N)c(C#N)nc2[nH]1 586964092 UNHNEKNHVCXNOJ-SNVBAGLBSA-N 352.383 2.144 30 1 FEEF Cn1cc(Nc2nccc(-c3ccc(N4CC[C@H](O)C4)c(C#N)c3)n2)cn1 113883596 FTRUCIDFCFXYAU-INIZCTEOSA-N 361.409 2.063 30 1 FEEF COCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1C#N 95898002 QCLTUJIBAMFGJE-NSHGMRRFSA-N 354.381 2.318 30 1 FEEF CC(C)n1nc(-c2cnc(N)c(C#N)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 148076262 CMJGOEIKCFOOTH-MNZLEMJZSA-N 364.453 2.024 30 1 FEEF Cc1ccc2c(c1)[C@@]1(NCCc3cc(C)c(F)cc31)[C@@H]([N+](=O)[O-])C(=O)O2 962370930 FNKKARAMFUQULV-PKOBYXMFSA-N 356.353 2.396 30 1 FEEF CC=C(C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)C[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 2356422029 CHVCBWJHQLHSFQ-KEJLSBQFSA-N 362.422 2.260 30 1 FEEF C[C@H](CO)c1cc(C=O)c2c(c1O)OC(=O)[C@@]21CCCC(C)(C)[C@@H]1C=O 14688342 XMQJZJZLYCPQEM-STYXZAMGSA-N 360.406 2.483 30 1 FEEF biogenic CC(=O)Nc1cccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NCC#N)c1 82064755 BIPWPILXGAWIIS-SFHVURJKSA-N 370.453 2.354 30 1 FEEF C=C1[C@@H]2CC[C@]3(C(=O)C[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O 238736735 LDYSWDMNYLEUCU-QETJVCGBSA-N 359.510 2.393 30 1 FEEF C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 95876991 QJZIHDAGXDAYFK-LUGPXAIHSA-N 368.521 2.053 30 1 FEEF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\CO)[C@@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 523042033 JTQHAHIJRVLYPJ-BPJOBXEJSA-N 364.438 2.062 30 1 FEEF biogenic CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 587039347 DODSFRBHBMIHHB-JTQLQIEISA-N 357.399 2.079 30 1 FEEF C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)CCC=C(C)[C@@H](OC(=O)CC(C)(C)O)C[C@H]12 2356477837 JQVNVUPVYVJHBR-PFLZLVAZSA-N 364.438 2.445 30 1 FEEF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 586917034 QUWFGVYQNHYZAT-HXPMCKFVSA-N 358.361 2.313 30 1 FEEF COc1ccc(OC)c(/C=N\n2c(S)nnc2-c2[nH]nc3c2CCC3)c1 15987712 ZQFGRECUENBWLO-NVMNQCDNSA-N 370.438 2.345 30 1 FEEF CN(C)CCOc1ccc2c(c1)C(=O)C(=Cc1ncc([N+](=O)[O-])n1C)C2 1857623720 JJRNMSJFNVLPDG-UHFFFAOYSA-N 356.382 2.091 30 1 FEEF C=C1CC[C@H]2[C@@](C)(CO)[C@@](C)(O)CC[C@]2(C)[C@H]1CC=C1C(=O)OC[C@@H]1O 2356421839 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1 FEEF C=C(C)[C@H]1CC=C(CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O)CC1 40861309 PFLAPFIGTURQDL-LSDHHAIUSA-N 362.315 2.137 30 1 FEEF CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO 95897649 IWMSBTAHFYGBCH-SVFBPWRDSA-N 367.424 2.233 30 1 FEEF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 95912795 DZTWAOVNNLDWNH-GUCRTLKASA-N 362.422 2.221 30 1 FEEF biogenic,in-vitro C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O 257402673 DBFXNHHIIKEXPP-RQANUWIMSA-N 364.438 2.046 30 1 FEEF endogenous,in-man COCCN(C)CCn1cnc2c(NC3CCCCC3)nc(C#N)nc21 13584942 DEUHRFYIQWZXMJ-UHFFFAOYSA-N 357.462 2.021 30 1 FEEF CC(=O)Nc1ccc(NC(=O)C2=C/C(=C3/C=C(C)C=C(C)C3=O)NN2)cc1 103918078 YGKDYNMKZLSQTK-WUKNDPDISA-N 364.405 2.305 30 3 FEEF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=O)C(=O)C(C(C)C)=C1C[C@H](O)[C@H]2C 2356841550 NJWONFAQULLUTD-NCJSFSATSA-N 362.466 2.212 30 1 FEEF CC[C@@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(C#N)cc1 82158718 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1 FEEF C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@H]4[C@@]3(C)[C@H](O)CC[C@@]4(C)C(=O)O)(C2)[C@@H]1O 238749914 NDKJQQGVHHGFGR-OTDZKKNLSA-N 350.455 2.097 30 1 FEEF COC1=C[C@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2ccccc2C1=O 962899153 OLBVJKHLPOWDFG-OXJNMPFZSA-N 353.349 2.395 30 1 FEEF CC(C)=CC[C@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)(C)O 1642676664 QXGSFYHEVYTYBT-JLWJJTIXSA-N 364.438 2.206 30 1 FEEF C=C(C)[C@@H]1CC[C@]2(O)C(=O)O[C@@H]3C[C@@](C)(CC(=O)C=C(C)C(=O)C1)O[C@H]32 2356538470 FPMOPBCTUVNARK-XECGBSKXSA-N 362.422 2.041 30 1 FEEF C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(C=O)C(=O)OC 137551271 NOKTUSVPNZHPFL-OQTQPSEISA-N 350.418 2.423 30 1 FEEF CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)OCCOCCOCCOC 84669404 AAWSKRWPFSFBOY-PPPANMTLSA-N 354.443 2.327 30 1 FEEF CCc1ncnc(N2CCC(C(C)(C)O)CC2)c1C#Cc1ccc(N)nc1 149259902 ZVEOOEASAJCVCP-UHFFFAOYSA-N 365.481 2.403 30 1 FEEF O=C(CCC1=CCN(Cc2ccc(Br)cc2F)C1=O)NO 95573407 LGWSIZWMFJUZOK-UHFFFAOYSA-N 357.179 2.142 30 1 FEEF CCOC(=O)/C=C/C(=O)c1c(CO)oc2cc(Br)cnc12 587274667 YEUJVKXXQIJIRU-ONEGZZNKSA-N 354.156 2.385 30 1 FEEF COc1ccc2c(-c3ccnc(Nc4cccc(C#N)c4)n3)c(CO)nn2n1 1857547357 PSGHXRCZSCSQSF-UHFFFAOYSA-N 373.376 2.302 30 1 FEEF Cc1cccc(Cc2[nH]c(=N[C@@H]3CCCC[C@@H]3N)c(C#N)cc2C(N)=O)c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c2c(C(=O)O)cccc21 963116019 BOOTXUAUTZZSPW-IBGZPJMESA-N 359.231 2.407 30 1 FEEF COC(=O)c1nc2n(n1)[C@@H](c1ccccc1OC)C1=C(CCCC1=O)N2 13123672 OBYOZCNSQWSNBQ-HNNXBMFYSA-N 354.366 2.095 30 3 FEEF O=C1C=C2O[C@@]3(O)C[C@@H](O)c4c(O)cccc4C3=C2c2cccc(O)c21 13368999 XZSXKBHGZJIDBP-VLIAUNLRSA-N 350.326 2.245 30 1 FEEF biogenic C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](O)[C@H](O)[C@@H](C)CCCC(C)=CCC[C@@]2(C)O 254111190 BUWBYKNJAXDGRB-YYJCOMGZSA-N 352.471 2.494 30 1 FEEF C=CCN1C(=O)S[C@H](Cc2nc3ccc(CC(=O)OCC)cc3[nH]2)C1=O 587039484 SHLHKVJODMJLDS-CQSZACIVSA-N 373.434 2.461 30 1 FEEF COc1ccccc1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCO 100446690 AMIPBNQBLVFJNS-HMNTXPNISA-N 353.374 2.109 30 3 FEEF COc1ccc(NC(=O)[C@@H]2C(=O)N(O)C(=O)c3ccccc32)cc1Cl 103138314 OUDUVHZHNJCFBG-CQSZACIVSA-N 360.753 2.443 30 1 FEEF CC1=C(CCCNS(C)(=O)=O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1 45316037 KQZMLURLEPTJGX-KRWDZBQOSA-N 351.468 2.003 30 1 FEEF Cc1nc(-c2cccc(/C=C/C(=O)NO)c2)n(CCN2CCOCC2)c1C 49089031 HDZJMUKQTFZUGE-VOTSOKGWSA-N 370.453 2.018 30 1 FEEF N#CN/C(=N/CCNc1ccccc1)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1 653883113 LCBPUNVUNNLUJQ-CVEARBPZSA-N 351.458 2.422 30 1 FEEF CN(Cc1nc2cncc(Cl)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 586929128 PWTDICHQEORWNB-UHFFFAOYSA-N 361.814 2.304 30 1 FEEF COCCN1CCC[C@@]2(CCN(Cc3ccc(C#CCCO)cc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endogenous,in-man COc1ccc(N2CCN(C(=S)N/N=C\c3ccccn3)CC2)cc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endogenous,in-man C=C[C@@]1(C)C[C@]2(C=C(CO)[C@H](O)O2)Oc2c1c(=O)oc1cccc(C)c21 5954889 PBJOCNBYKSMQMJ-YZGWKJHDSA-N 356.374 2.291 30 1 FEEF CC1=C(CO)C(=O)C[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)O[C@@H](C)C3 1857747491 DPYYZTBCQTWYMM-FHZGZLOMSA-N 356.374 2.083 30 1 FEEF C=CC[C@]12C=C(OC)[C@H](O)[C@](OC)([C@@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@@H]2O 238781118 UIDBVRIGTICCQN-ADKAJIRNSA-N 374.433 2.362 30 1 FEEF C=C(C)[C@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C 104352011 MFJWBSPRMQOETE-UGXZTEESSA-N 360.450 2.298 30 1 FEEF in-man CCCCC[C@@H](O)C#CCN(CCCCCCC(=O)O)S(C)(=O)=O 59948241 BVZCICPBNIINFR-MRXNPFEDSA-N 361.504 2.228 30 1 FEEF CC(C)=CCC(=O)[C@@]1(O)C(O)=C(C(=O)C(C)C)C(=O)[C@]1(O)CC=C(C)C 2356736624 BKPHLWHAKWWBPZ-WOJBJXKFSA-N 364.438 2.350 30 1 FEEF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C=C2C(=O)CC[C@H](C)[C@]21C 95914145 VZTXGPWRBOVDPF-GUDLYQINSA-N 360.406 2.372 30 1 FEEF biogenic CN(Cc1nc2c(Cl)ccnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 586928591 FBWIOEWYMFBUCE-UHFFFAOYSA-N 361.814 2.304 30 1 FEEF C#CCNC(=O)C1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587753884 ICNMXFXUAHGWRD-JJMSQDNMSA-N 365.246 2.477 30 1 FEEF CC(C)CCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1 13764053 GATKQMPWFHNBFF-UHFFFAOYSA-N 372.487 2.264 30 1 FEEF CCOC(=O)[C@H]1SC(/N=C(\S)NC(=O)c2ccccc2)=N[C@@H]1C 66112234 MZPBECCLKHKXBO-KOLCDFICSA-N 351.453 2.125 30 1 FEEF C=C1C(=O)O[C@@H]2[C@H]1[C@@H](O)[C@H](OC(=O)C=C(C)C)/C(C)=C/CC[C@]1(C)O[C@H]21 238781982 XYEXFSWBSVHZOV-PDYHQHBKSA-N 362.422 2.221 30 1 FEEF C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238743431 AFTMSDSWKBUAFB-SNUMXGKDSA-N 362.422 2.221 30 1 FEEF 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