smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(CNc2ncnc3ccc(-c4ccccc4C#N)cc23)c1 4267712 JIAHIRQZKOQHBI-UHFFFAOYSA-N 350.425 5.089 30 1 FKEF Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccccc2C(F)(F)F)n1 29126061 MMFQWTMMTFFZLP-UHFFFAOYSA-N 368.280 5.080 30 1 FKEF O/N=C1\CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 40762226 UVRVZIONWIGDLH-IFTMEHCPSA-N 360.501 5.033 30 1 FKEF CC[C@H](C)CCCCCCCCCCC/C(O)=C1\C(=O)CN(C)C1=O 154547565 RXRWOJMGCVBNQH-VGVBMJIYSA-N 351.531 5.177 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)NN1CCOCC1 220074067 JQUHJOYUAPJDPK-KTKRTIGZSA-N 366.590 5.387 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(COCc2ccccc2)cc1 587906251 WPZGWZVGYXVELF-UHFFFAOYSA-N 362.856 5.465 30 1 FKEF COc1ccc(-c2cccc(-c3nc4ccc(C#N)cc4[nH]3)c2C)c(OC)c1 587928458 DDFNLYFQKPYLAR-UHFFFAOYSA-N 369.424 5.094 30 1 FKEF CCCCCCC[C@H](C)CCCCCCCCCCC[C@H](C)CC(=O)O 102181342 OIQLVWBPMHLONE-GOTSBHOMSA-N 368.646 8.385 30 1 FKEF CCCCCCCCCCCCCCCCCCCCCC(=O)C(=O)O 102184490 MJYNGVHWLRDRHF-UHFFFAOYSA-N 368.602 7.462 30 1 FKEF FC(F)(F)c1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1Cl 587089989 JUKKZLLFQUKSAL-MRVPVSSYSA-N 355.040 5.159 30 1 FKEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587191504 QPCGTWBMBJPTJZ-MRXNPFEDSA-N 369.424 5.154 30 1 FKEF C=CCCCCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587206670 GMDBXSFLPJCUSJ-UHFFFAOYSA-N 355.481 6.515 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)/C=C/c2ccccc2)cc1 587905461 VUMFKMMWJSEFDL-XNTDXEJSSA-N 372.851 5.645 30 1 FKEF CCC[C@H](C)CC[C@]1(C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188786 ASWXAJBDKWWACI-KSNOWIBYSA-N 360.545 6.241 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC=C(C)CCC=C(C(=O)O)CCC=C(C)CC1 2356466473 HJOWIGBOCUVVEY-QHCPKHFHSA-N 370.577 7.553 30 1 FKEF C=CCC[C@H](C)C(=O)[C@H](C)C[C@@H](C)NC(=O)CCCC(=CCl)CCC 2356594946 MTSIKQYOKFAJKC-RCCFBDPRSA-N 369.977 5.782 30 1 FKEF CCc1c(C)sc2c1CCN(Cc1ccc(C#N)cc1)[C@@H]2c1ccccc1 21337825 FHZDYXVFJXNJBG-HSZRJFAPSA-N 372.537 5.638 30 1 FKEF CCCCCCCCCCOc1ccc2c3ccnc(C)c3n(CC)c2c1 95593926 OSSWBWHHTCQONG-UHFFFAOYSA-N 366.549 7.037 30 1 FKEF Cc1ccc(Nc2cc(Oc3c(C)cc(C#N)cc3C)n3nccc3n2)cc1 169308316 ULRBWXYDRJNLNG-UHFFFAOYSA-N 369.428 5.062 30 1 FKEF CCCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990701 FETVBVGVKFCDNZ-UHFFFAOYSA-N 373.496 6.445 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(NCc2ccsc2)cc1 587921322 ZQQNCKWREVMOBT-UHFFFAOYSA-N 353.874 5.422 30 1 FKEF CCCCCC/C=C\CCCCCCCc1cc(O)c(Cl)c(O)c1 1857634940 YKNKNKHNIZXXKJ-FPLPWBNLSA-N 352.946 7.161 30 1 FKEF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)COC(C)=O)[C@@H]1CCC(C)=CC(=O)O 2356727795 ULWOIBVJYLRVQJ-WKDRNLAYSA-N 362.510 5.140 30 1 FKEF CCCCCCCCCCCCC/C=C1\C[C@@](CO)(COCC)OC1=O 34800457 ZPFFKORTIDVBPN-QMZMWQIVSA-N 368.558 5.328 30 1 FKEF CCCCN(CCC#N)Cc1coc(-c2ccc(Cl)cc2Cl)n1 72103701 IKSCAMPSNQTNEL-UHFFFAOYSA-N 352.265 5.164 30 1 FKEF COc1ccc(/C=N/c2ccccc2NC(=S)Nc2ccccc2)cc1 72181253 DPJLRTNWFAFICZ-PXLXIMEGSA-N 361.470 5.255 30 1 FKEF CCCCCCCCC[C@@]1(O)CCC[C@H](c2ccc(O)c(OC)c2)O1 85924078 YTTWJBFVZNJZHS-CTNGQTDRSA-N 350.499 5.472 30 1 FKEF biogenic C=C1CC([C@]2(C3CCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587821195 TUZGWRPCJSTPSY-BUXKBTBVSA-N 364.302 5.084 30 1 FKEF C=CC[C@]1(c2ccc(F)cc2)c2ccsc2CCN1Cc1cccnc1 963010442 NTCKSQGCQHPANH-QFIPXVFZSA-N 364.489 5.160 30 1 FKEF C[C@@H]1OC(=O)c2ccccc2[C@]1(Cl)c1ccc(C#Cc2ccccc2)cc1 1857575932 RVOYQALCIFEEFN-BXKMTCNYSA-N 372.851 5.128 30 1 FKEF CC1=CC(C)(C)Nc2ccc(-c3cc(Br)c(C#N)s3)cc21 3832326 SVRCGCJRDDIWFL-UHFFFAOYSA-N 359.292 5.657 30 1 FKEF CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1 29061826 GIBHMVZSUVKWMF-UHFFFAOYSA-N 370.456 5.057 30 1 FKEF CCCCCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 36294764 IDICPTJZTJUWIB-LEWJYISDSA-N 366.545 6.519 30 1 FKEF CCCCCCCCCCCCOc1ccc(-n2cnnc2CC)cc1 44086991 AAGRDBSXPIAENY-UHFFFAOYSA-N 357.542 6.129 30 1 FKEF CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(C)=O)c1O 49872221 HANBALNYYYHWDJ-UHFFFAOYSA-N 364.482 5.418 30 1 FKEF C=C1CCC[C@@H]2[C@@](C)([C@@H](C/C(C)=C/C(=O)O)OC(C)=O)[C@H](C)CC[C@@]12C 85841521 IGGKHPWWCRUXBE-WHCNRNLASA-N 362.510 5.138 30 1 FKEF CC1=C(C/C=C(\C)CC/C=C(\C)CCC(=O)O)C(=O)c2ccccc2C1=O 299856825 CGCYBEKZHQYLOM-ZYHSJPTQSA-N 366.457 5.310 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC(C)=CCOC(C)=O 2356493806 HSANNLXBHKRHSH-SEIRJHJZSA-N 362.510 5.140 30 1 FKEF C[C@H](CCC=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356641164 GKTDPIQLKVFPBU-YTVPJUIYSA-N 358.566 5.542 30 1 FKEF CC(=O)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255214891 HGUZQVROTZPVIT-OAWIODIUSA-N 370.577 5.708 30 1 FKEF N#Cc1ccccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587501994 DIOSCLDDHJYNPT-QHCPKHFHSA-N 369.420 5.404 30 1 FKEF C[C@]1(c2cccc(N=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573821 DGBGRBIBGRFLAA-GHTZIAJQSA-N 373.368 5.211 30 1 FKEF CCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602356 JMDZKWNUFMDHSS-AZUAARDMSA-N 354.446 5.473 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(C)C)cc2cc(C(=O)O)[nH]c12 587911865 VNWPQKIQBFLPOE-UHFFFAOYSA-N 367.832 5.051 30 1 FKEF CC#CCCCCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 587956997 OYATZFOCAWSAIY-UHFFFAOYSA-N 360.501 6.048 30 1 FKEF CCCCCCCCCCCCCCCc1cn(CC(=O)OCC)nn1 1772585447 JWOPPUVYTMWIMK-UHFFFAOYSA-N 365.562 5.475 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC=CC(C)=O 2356684044 KNRXBOCDMJMJJX-PBWQYRMFSA-N 360.538 5.802 30 1 FKEF CCCCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27747817 APZRMZNKLVPYEJ-UXHICEINSA-N 352.518 6.129 30 1 FKEF CCS/C(=N\C(=N\c1ccccc1)c1ccccc1)N1CCCCC1 53186542 KQEPIKFDWKEXKH-JKZRTEGISA-N 351.519 5.360 30 1 FKEF CCCCCCCCC/C(C)=C\C(=O)NCCc1ccc(OC)c(O)c1 85910329 GZMUFYAQFVCMFA-VLGSPTGOSA-N 361.526 5.147 30 1 FKEF CC(C)=CCC/C(C)=C/C(=O)c1cc(C(=O)O)cc(CC=C(C)C)c1O 238784253 JKNIFCKIXRXOLE-LFIBNONCSA-N 356.462 5.475 30 1 FKEF N#CCc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587628955 WKCOIQQKHQPTIL-UHFFFAOYSA-N 363.617 5.456 30 1 FKEF C=C[C@@](C)(CC(=O)C=C(C)CCC=C(C)C)CC(=O)c1c(C)cccc1O 2356614373 RFISIENEXXTNTA-DEOSSOPVSA-N 368.517 6.118 30 1 FKEF Cc1cc2sc3ccc(C#CC4(O)CCCCC4)cc3c(=O)c2cc1C 12476960 FOVVLARPCLEDCJ-UHFFFAOYSA-N 362.494 5.078 30 3 FKEF Cc1[nH]c2ccc(-c3nnc(SCCC#N)n3-c3ccccc3)cc2c1C 5612290 GOHOMYVBHMAMHS-UHFFFAOYSA-N 373.485 5.038 30 1 FKEF C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O 85992497 ULWOIBVJYLRVQJ-KBEBJEDWSA-N 362.510 5.140 30 1 FKEF Fc1cc(C(F)(F)F)ccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587109320 MAQCPRVEHOYSTL-UHFFFAOYSA-N 364.220 5.286 30 1 FKEF N#Cc1cc(Cl)c2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1 587245579 ZRTAMRMNTQGGFS-UHFFFAOYSA-N 372.815 5.007 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Cl)cc(Cl)c1Cl 587898039 DFYHEVWPNQHLSF-UHFFFAOYSA-N 360.067 5.903 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)c(Cl)c(Br)c1 587915325 OOEZJOJNUPUAJR-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF N#Cc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1C(F)(F)F 587965733 WALJYUHPDFQUSR-UHFFFAOYSA-N 357.379 5.293 30 1 FKEF CCCCCCCCC[C@]1(c2ccccn2)NCCc2ccc(O)cc21 963352621 MPFHJUPPOAXSSI-QHCPKHFHSA-N 352.522 5.317 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 1857631085 KKXRGIBSHPBNGG-MHGGHVKBSA-N 366.589 7.047 30 1 FKEF CCCCCCCCCCCCCCCC=C(C(=O)OC)[C@H](O)C(C)=O 2356621542 GLIPXQAGIQSPTQ-OAQYLSRUSA-N 368.558 5.517 30 1 FKEF CCCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC2=C1C(=O)CCC2 5045175 IGUPHOVYNOSSCZ-FQEVSTJZSA-N 351.446 5.017 30 1 FKEF O=C(/C=C/C=C/c1ccccc1)c1cc(Cl)cc(Br)c1O 35034679 CNXZIHUHZIWXGM-KBXRYBNXSA-N 363.638 5.260 30 1 FKEF CCCCCCCCCc1ccc(CNCCC(F)(F)C(=O)O)cc1 36178306 GJSCDTCSBXBNCQ-UHFFFAOYSA-N 355.469 5.179 30 1 FKEF CC(=O)C1=C(C)Nc2cc(Cl)ccc2S[C@@H]1c1ccccc1Cl 43061308 ZZUXLHDXWMUKBX-GOSISDBHSA-N 364.297 6.115 30 1 FKEF C=CCc1ccc(OCCC)c(-c2ccc(OCCC)c(CC=C)c2)c1 72112324 AWLYPTOYXITFRX-UHFFFAOYSA-N 350.502 6.388 30 1 FKEF C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C 98052767 YYXCNUVITXXGGX-FLBRIZMQSA-N 369.593 5.523 30 1 FKEF CC(C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257414356 FFRFYWBYDZTBDQ-RZESLYGGSA-N 368.605 6.983 30 1 FKEF endogenous,in-man COc1ccc(Cl)cc1C#CCc1ccc(-c2ccccc2C#N)cc1 587898373 JPOQZOMMCRGXMU-UHFFFAOYSA-N 357.840 5.481 30 1 FKEF CCCCCCCC[C@]1(c2ccccn2)NCCc2ccc(F)c(C)c21 962092340 MYBQEHMQMJTGDJ-HSZRJFAPSA-N 354.513 5.669 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/O)CC[C@@]43C)C1=CC=C2c1cccnc1 1772642767 JRXWVDLJKMWYQS-DTUDTTHBSA-N 360.501 5.788 30 1 FKEF CCCCCCCCCCCCCCCC[C@]1(C)OC(CCO)=CC1=O 2356416445 UKBAAKDRBGMWAJ-QHCPKHFHSA-N 366.586 6.482 30 1 FKEF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=N/C2CCCC2)cc1 28653205 NCILRRDJPQMDQV-OLLKEOEQSA-N 365.473 5.244 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCN1C[C@H](C)O[C@@H](C)C1 43628005 MJJHRWHTMVNDJQ-JKBOYCBVSA-N 365.646 7.133 30 1 FKEF CCCCCCCCc1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 103277927 WRFAYIHBYRYGGM-NRFANRHFSA-N 371.471 6.386 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)CC(C34CC[C@@H]5CC[C@H](CC3)C5(C)N4)=CC(C)=C2C1 103525494 PQFMZJXBQQHCND-TVRSJJTGSA-N 365.605 6.716 30 1 FKEF biogenic,in-vitro C[C@@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 195389374 YNCUBWWVYADNTK-WYZKVEFCSA-N 370.496 5.671 30 1 FKEF C[C@]1(c2ccccc2N=[N+]=[N-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576895 QCXUEIKNPRHUHY-WIYYLYMNSA-N 373.368 5.211 30 1 FKEF CCCC/N=C/N1c2ccccc2-n2cccc2[C@@H]1c1ccc(CC)cc1 206053940 OWFDBANBHLBNNU-XSICDPOBSA-N 357.501 5.778 30 3 FKEF CCCC#CCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 27847031 DDWKWDCODVKKDZ-PMACEKPBSA-N 352.518 6.129 30 1 FKEF CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](N=[N+]=[N-])C[C@]12C 96286216 RLSYKQAZVFIUKL-ATWVFEABSA-N 355.482 5.012 30 1 FKEF O=C(/C=C/c1ccccc1)/C(Cc1ccccc1)=C(O)/C=C/c1ccccc1 169661349 WMJSWHBMNXSVFT-ZHWPPRNBSA-N 366.460 6.037 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(C2(C(=O)O)CCCCC2)c1 587904763 WLUMYBZOYLUWBO-UHFFFAOYSA-N 368.860 5.035 30 1 FKEF CCc1nc2cc(C#Cc3cc(Cl)ccc3OC)c(F)cc2n1C(C)C 587917211 CAVFPJMUTVESFH-UHFFFAOYSA-N 370.855 5.381 30 1 FKEF CN(CC#Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCCC2 1772632156 RBTJUXLSSIIQEH-UHFFFAOYSA-N 367.492 5.162 30 1 FKEF CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(OC)C1=O 2356598718 YYCCUFKHCNSRIA-UHFFFAOYSA-N 374.565 6.632 30 1 FKEF CCCC/N=C(\O)c1cc(Nc2cccc(SC)c2)nc2ccccc12 4911508 ZOWYWAKFVIOICW-UHFFFAOYSA-N 365.502 5.805 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)C2=O 6003324 IWHLHPSOYGLDQI-BPBRNRSZSA-N 374.524 5.781 30 1 FKEF C=C1CC[C@]2(C)[C@H]([C@H](C)CCC=C(C)C)CC[C@@]23CC=C(C(=O)O)CC[C@@H]13 85798445 JTMVWFPVJNHYAJ-KFGZMKLQSA-N 370.577 6.933 30 1 FKEF biogenic CCOc1ccccc1C(=O)/C=C/c1cc2ccccc2c2ccccc12 299868790 SHASSPLCYUKCSE-FOCLMDBBSA-N 352.433 6.288 30 1 FKEF C=CC[C@@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365676 ILNAZWUGXSCQMH-MRXNPFEDSA-N 369.464 6.653 30 1 FKEF Cc1nc(NN=C2CCN(C)CC2)sc1/N=N/c1ccccc1Cl 1857638523 SPPJYCYZORXAKJ-QZQOTICOSA-N 362.890 5.014 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C(=O)C[C@@H]3C)C(CO)=CC[C@H]12 2356793695 HLMAAMDTIQIBLV-FETFUNELSA-N 368.561 5.795 30 1 FKEF Cc1nc(-c2ccccc2)sc1[C@@]1(C)CC(c2ccc(C#N)cc2)=NO1 13660405 WLUPSUNRPXIVEP-OAQYLSRUSA-N 359.454 5.030 30 3 FKEF C#Cc1cccc(Nc2nc(NCc3ccccc3)nc3ccsc23)c1 61903722 OWDGGYRIKZVIOU-UHFFFAOYSA-N 356.454 5.028 30 3 FKEF CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CCC)[C@H]1C2 14255111 QSCQOXMIFSONAX-GMAHTHKFSA-N 372.553 5.044 30 1 FKEF C=C1COc2cc([C@@H](C)[C@@H](C)CCCCC)cc(O)c2[C@@H]2C=C(C)CC[C@@H]12 27865558 XSVGNKMGHGRMPZ-XODARUQUSA-N 368.561 7.101 30 1 FKEF CCCCCCCC[C@@H](O)c1ccc(/C=C\[C@@H](O)CCCC(=O)O)s1 73354844 FWUNPRXPKPPGLO-MZVJFUNZSA-N 368.539 5.161 30 1 FKEF COc1ccc(/C=C/C(=O)c2cccc(-c3ccc(F)cc3)c2)cc1OC 82153570 GADBRQWLMLZXNW-WUXMJOGZSA-N 362.400 5.406 30 1 FKEF O=C(/C(=C\c1ccc(Cl)cc1Cl)c1ccccc1)c1ccccc1 103275436 RYWJPXPXLCGZHJ-UYRXBGFRSA-N 353.248 6.417 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)c1coc2ccccc12 587280574 JZKPDAVTXNWJGB-UHFFFAOYSA-N 370.577 8.487 30 1 FKEF CCCCCCCCCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587489556 PEVNHUWCAPVELA-LJQANCHMSA-N 374.565 6.990 30 1 FKEF C[C@]1(c2ccc(N=[N+]=[N-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576976 QMRKNIIAOQWRST-GHTZIAJQSA-N 373.368 5.211 30 1 FKEF CCCCCCCCOC(=O)C[C@@H](OCCCCCCCC)[C@@H](C)O 653872505 HZMXLATWLRWNOV-WOJBJXKFSA-N 358.563 5.407 30 1 FKEF CCCCCCCCCCCCNC(=O)N[C@@H](C)[C@H](O)c1ccccc1 43628358 VPNAURLFPWAFJP-FPOVZHCZSA-N 362.558 5.329 30 1 FKEF C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCC(=O)O 89469929 JJEWWCWHZFDCDG-FRVYLFQHSA-N 372.549 5.658 30 1 FKEF CCN(CC)CCCCCN/C(C)=N\c1ccnc2cc(Cl)ccc12 299854750 AMIOFRHLTVMEPG-UHFFFAOYSA-N 360.933 5.040 30 1 FKEF C[C@@H]1CCc2sc(-c3nc4c(Br)cc(C#N)cc4[nH]3)cc2C1 587033597 KCLMSVZAPHABEA-SECBINFHSA-N 372.291 5.050 30 1 FKEF FC(F)(F)Oc1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1Cl 587089599 FEVZIERJEFMGDB-QMMMGPOBSA-N 371.039 5.038 30 1 FKEF Cc1cccc([C@]2(C[C@@H](C)C#N)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508418 VTPACCUNZUPNNG-OSPHWJPCSA-N 359.469 5.284 30 1 FKEF CC/C(=C/c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587966460 HWQOJANQQWPEQQ-LCYFTJDESA-N 355.363 5.712 30 1 FKEF C[C@@H]1C[C@H]2C3=CC=C(c4cncc(N)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1772634892 COIURCOJQCFJAD-KHJJQCIGSA-N 374.528 5.355 30 1 FKEF CCCCCCCCC[C@@H](C)[C@H]1OCc2c(/C=C/C(C)=O)cnc(C)c2O1 1857773825 DPIOIILZMBLZMJ-ZSOXJLGJSA-N 373.537 6.004 30 1 FKEF CC1(C)C(=O)C(=Cc2ccccc2)C[C@@]2(C)[C@@H]1CC[C@@]13C=C[C@](C)(CC[C@H]12)C3 2356744747 GTBFQOGSRWBGDY-RDWBQTDYSA-N 374.568 6.848 30 1 FKEF CCCCCCCCCCCCCCCC(=O)C[C@H](O)CCCCC 86001440 GGVGQHOCWYXITR-JOCHJYFZSA-N 354.619 7.368 30 1 FKEF endogenous,in-man COc1ccccc1-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C 40880873 NJADSZALPMCYLV-UHFFFAOYSA-N 354.413 5.162 30 1 FKEF CCCCCCCCCn1c2ccccc2c2ccc(OCC(=O)O)cc21 43589914 NRQVCAPJPIGXGU-UHFFFAOYSA-N 367.489 6.009 30 1 FKEF CCCCCCC/N=C1\C(=O)N(C)c2cccc3c(O)c4ccccc4c1c23 103896273 MJAGKWHYXYQNGX-LVWGJNHUSA-N 374.484 5.435 30 1 FKEF C=C1CC[C@H]2/C(C)=C\C[C@H]3[C@@H](C(C)C)[C@H](O)C[C@]3(C)C/C=C(/C)CC[C@@H]12 238788373 XFTVUNNLOZHXIM-QXUGAGTOSA-N 356.594 6.695 30 1 FKEF CCC(C)(C)c1ccc(OCc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 587564933 QHJCAGQFEHOQKC-UHFFFAOYSA-N 353.853 5.355 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C)cc1OCc1ccccc1 587901242 WUWKFYLAGUPSNO-UHFFFAOYSA-N 362.856 5.636 30 1 FKEF COc1ccc(Cl)cc1C#Cc1sc(Cl)cc1Br 587918686 FEGVVEYBVIXEMX-UHFFFAOYSA-N 362.075 5.226 30 1 FKEF C/C(=N\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccncc1 1857762014 UOTDGJRPSGVHSK-PCLIKHOPSA-N 370.481 5.708 30 1 FKEF C=C1[C@H]2CC[C@@](C(=O)CCc3ccccc3)([C@@H]2OC)[C@]1(C)C1CCCCC1 2356483628 RAUBJYHLZLPOKG-MJTJJFPGSA-N 366.545 5.756 30 1 FKEF CCCCCCCCCCCC=CCCCCCCc1cccc(O)c1 2356613224 DITRNYLIGJJTRQ-UHFFFAOYSA-N 358.610 8.362 30 1 FKEF CCCCCCCCCCCCCC=CC[C@@H](COC[C@@H](O)CO)OC 2356728356 HAEKESXEMFDAFY-VXKWHMMOSA-N 372.590 5.019 30 1 FKEF CCc1cc(/C=N/CC/N=C/c2cc(CC)sc2S)c(S)s1 2895827 VVEQTEZYLMMYBK-BEQMOXJMSA-N 368.618 5.050 30 1 FKEF C=CCSCC1=CC(C)(C)Nc2ccc(-c3cccc(O)c3Cl)cc21 14968701 AZXWUJXCVIDGJV-UHFFFAOYSA-N 371.933 6.219 30 1 FKEF C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccc(OC)cc3)cc21 28571759 NFGZVQXLZCFNDA-UHFFFAOYSA-N 351.515 5.869 30 1 FKEF CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)CSC 49756067 KRFOKZINUCTKFT-IBGZPJMESA-N 358.636 5.274 30 1 FKEF C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]12 85757831 VWKORDLHIGIYBW-SDIJUFKJSA-N 368.517 5.011 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)nc2ccccc12 587915545 XGROPCNMEUJVTK-UHFFFAOYSA-N 361.750 5.315 30 1 FKEF COc1cc(C(=O)/C=C/c2cc(-c3cccs3)ccc2OC)ccc1O 29323941 WYGPQDZXWQAMBY-SOFGYWHQSA-N 366.438 5.034 30 1 FKEF CS/C(=N/CCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 34228748 GHHDQRBRMPEAGD-OCOZRVBESA-N 374.553 5.651 30 1 FKEF CCCCCCCCn1c2ccccc2c2ccc(OCCN(C)C)cc21 72106742 YNYWHWDEGPWQIS-UHFFFAOYSA-N 366.549 6.095 30 1 FKEF Cc1cc(C#N)cc(C)c1Nc1ccc(F)c(Nc2ccc(F)cc2)n1 149522362 PQGVHADEBSVBQG-UHFFFAOYSA-N 350.372 5.336 30 1 FKEF CCCCCCCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992293 VBBXMAPEPQLUAZ-UHFFFAOYSA-N 373.496 6.445 30 1 FKEF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C#N)c1ccc(Cl)cc1)CC2=O 587458597 ATAIRIRJYIZUFE-UWJYYQICSA-N 369.848 5.029 30 1 FKEF CC[C@]1(c2ccsc2C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963183822 BWVYNEQRJVDIBB-RPWUZVMVSA-N 372.537 5.833 30 1 FKEF C=C[C@H]1CN2CC[C@H]1C[C@@H]2CN(CC1CCCCC1)CC1CCCCC1 22936267 WTXCZPVJLWKXCE-KMDXXIMOSA-N 358.614 5.345 30 1 FKEF biogenic CCCCCCCCNC(=O)/C=C/C1=Cc2cc(OC)c(OC)cc2CC1 64503456 ABCYNUOYBMMJEC-ACCUITESSA-N 371.521 5.066 30 1 FKEF Cc1cc(C)c(CSc2nc(O)c(C#N)c(C3CCCCC3)n2)c(C)c1 84757451 DWKWGVMWIGEJTO-UHFFFAOYSA-N 367.518 5.319 30 1 FKEF CCCCCCCC(=O)OCCCCCOC(=O)CCCCCCC 103274962 HAPDDVNSFCRIGE-UHFFFAOYSA-N 356.547 5.964 30 1 FKEF N#Cc1ccc2c(C(=O)c3cc(C(F)(F)F)cc(Cl)c3F)coc2c1 587278992 YOYYTOXHHPCANE-UHFFFAOYSA-N 367.685 5.347 30 1 FKEF C=CCCCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811734 GWHAZWGZCMAAIL-SCLBCKFNSA-N 354.307 5.474 30 1 FKEF CCOc1ccc(C#Cc2cc(Cl)ccc2OC)c(Cl)c1Cl 587900892 XDTJOWPVROKPLS-UHFFFAOYSA-N 355.648 5.454 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)c2nc(C)cc(Cl)c2c1 587917611 NERFKAZRVJCJIY-UHFFFAOYSA-N 360.215 5.398 30 1 FKEF O=C(/C=C/c1c[nH]c2cc(Br)ccc12)c1cc2ccccc2[nH]1 1772652885 ADLUUMXAZYFEKP-VMPITWQZSA-N 365.230 5.308 30 1 FKEF Fc1ccc(-c2csc(N/N=C/c3ccc(C(F)(F)F)cc3)n2)cc1 1857648236 GMSGBXYHYZJFRF-LSFURLLWSA-N 365.355 5.414 30 1 FKEF C=C1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)[C@@H]12 2356656617 VWKORDLHIGIYBW-XVWAWNKYSA-N 368.517 5.011 30 1 FKEF CC1(C)C(CCO)=CC(=O)[C@@]2(C)[C@@]1(C)CC[C@]1(C)C(C)(C)CCC[C@@]21C 2356739436 APUDWPZTWSYKLP-QPXUXIHVSA-N 360.582 5.933 30 1 FKEF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\Nc1ccccn1 29399074 ZSTYXLFLENOSTO-LCPVDZPMSA-N 361.489 5.111 30 1 FKEF CC(=O)N[C@@H](CCCC#C/C=C\Cl)CCC/C=C\C=C(Cl)Cl 36399378 KHCZTRMIJAMOLW-GRYZPSADSA-N 362.728 5.463 30 1 FKEF CCCCCCCCCCCCCCCC(=O)C[C@@H](O)c1ccccc1 85773075 XVDDTGFGTWMISV-XMMPIXPASA-N 360.582 7.161 30 1 FKEF endogenous,in-man Cc1cc(Cl)ccc1C#Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587066355 AVJCODOPNGPRMW-UHFFFAOYSA-N 372.855 5.504 30 1 FKEF Fc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1F 587094022 ZMPFPTOSSJRQED-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C#N)c2c1 587639371 TXWZPWFZEKJVJC-GFCCVEGCSA-N 353.263 5.983 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C#N)c(OCc2ccccc2)c1 587903937 VWDWFJYQKWIGEI-UHFFFAOYSA-N 373.839 5.199 30 1 FKEF N#Cc1ccc(-c2csc(-c3ccc(Oc4ccccc4)cc3)n2)cc1 587921708 TUZYIHOUFUSACV-UHFFFAOYSA-N 354.434 6.141 30 1 FKEF C=Cc1ccc(-c2ccc3ncnc(Nc4ccc(CC#N)cc4)c3c2)cc1 1772624289 IEAFYFVXFGKEPN-UHFFFAOYSA-N 362.436 5.749 30 1 FKEF CCCCCC/C=C\CC/C=C\CCCc1cc(O)c(Cl)c(O)c1 1857644162 KTAJRUCDMJFDGC-MQEUWQHPSA-N 350.930 6.937 30 1 FKEF COc1cccc([C@H]2c3cccn3-c3ccccc3N2/C=N/C(C)(C)C)c1 206054024 IBKJZRAUYKVZJN-OLCUMFGGSA-N 359.473 5.222 30 3 FKEF CC/C=C/CCCCCCCCCCCCC[C@]1(O)CC(=O)C=C[C@H]1O 15270222 TYJQNNWWKJMQRK-SXSPOJCMSA-N 364.570 5.645 30 1 FKEF Cc1cccc(/N=C2\C(=O)N(C)c3cccc4c(O)c5ccccc5c2c34)c1 103865983 LXELEFRMJOQQPB-LVWGJNHUSA-N 366.420 5.104 30 1 FKEF N#Cc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1C(F)(F)F 587152971 UAWFVWPMMFAHFL-MNOVXSKESA-N 363.289 5.003 30 1 FKEF COc1ccc(Cl)cc1C#CCc1c2ccccc2cc2ccccc12 587898017 CWRDHKLXGCUWCV-UHFFFAOYSA-N 356.852 6.249 30 1 FKEF CCCCCCCCCC(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 1857636312 QOKNAEFXRCKIQT-UHFFFAOYSA-N 363.889 5.105 30 1 FKEF C=C[C@@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(CCC/C=C/C(=O)O)CCC[C@@]23C)C1 27097984 RRWSYMHVTCDSNN-IQIUXXDUSA-N 370.577 6.933 30 1 FKEF N#Cc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1 45391960 YCWVCIMQAUJVRF-UHFFFAOYSA-N 367.452 5.118 30 1 FKEF CCCCCCCCCCCC[S@](=O)c1ccccc1[S@](C)=O 71295525 IBHSISCEEJUVIT-DHIUTWEWSA-N 356.597 5.453 30 1 FKEF Fc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1F 587092889 HWMFFGZCKWAISY-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF CCCCCCCCc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587560557 DNBMMHCCUSDSTE-UHFFFAOYSA-N 351.450 5.006 30 1 FKEF CCCCCCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811473 GKWNUFZMLWFLPJ-IFXJQAMLSA-N 370.350 6.088 30 1 FKEF C=CC[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824835 ZCUOBFGGHJTVIN-DFHBCGBQSA-N 352.291 5.084 30 1 FKEF COc1cc(/C=C2\CC/C(=C\c3ccc4ccccc4c3)C2=O)ccc1O 653773248 LJLOZIFUOASVJW-KVVJQUGZSA-N 356.421 5.384 30 1 FKEF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2[C@@H]2O[C@]2(C)CC1 1857652354 DUBKRSFKSZSCBP-JTHBVZDNSA-N 370.489 5.221 30 1 FKEF C=C1CC[C@H]2[C@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@H]1CCC(C)=CCO 2356576330 WJTRDGPQMBTDGG-SIRIFCOHSA-N 374.609 5.891 30 1 FKEF C[C@@H](C=O)CCCCCC[C@@H](CCCC=CC(=O)O)Cc1ccccc1 2356684365 QFHJXWNOPQMWPO-RTWAWAEBSA-N 358.522 5.832 30 1 FKEF CCCCCCCCC(C)=CCCCCCCCC(=O)OC[C@H](O)CO 2356699905 NVYGLIYHVMMTJQ-OAQYLSRUSA-N 370.574 5.310 30 1 FKEF CC(C)CC[C@H](C)CCCCCCCCCC(O)=C1C(=O)CN(C)C1=O 2356810635 AZUCUDLNTXMXHE-GOSISDBHSA-N 365.558 5.423 30 1 FKEF Clc1cc(Cl)cc(/C=N/N(Cc2ccccc2)Cc2ccccc2)c1 26267090 SSGDOXYOZLLIGY-ZVHZXABRSA-N 369.295 6.030 30 1 FKEF CCCCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1 43382006 USUOZXYQKAUQAR-UHFFFAOYSA-N 374.528 6.940 30 1 FKEF CCCCCCCCC[C@]1(O)CCC[C@H](c2ccc(O)c(OC)c2)O1 85924076 YTTWJBFVZNJZHS-TZIWHRDSSA-N 350.499 5.472 30 1 FKEF biogenic C=C(CC(=O)C=C(C)C)C(=O)CCC(C)=CCCC(C)=CCOC(C)=O 2356624547 YSAUIJBHWDSQNX-UHFFFAOYSA-N 360.494 5.053 30 1 FKEF Cc1ccccc1-c1ccccc1/C=N/Nc1c(Cl)cncc1Cl 28571852 RIMRBFFCTVLKNY-AUEPDCJTSA-N 356.256 5.810 30 1 FKEF CCCCCCC/N=c1\ccn(Cc2ccccc2)c2cc(Cl)ccc12 36080437 RBWFLERLKXGCJS-YYDJUVGSSA-N 366.936 6.214 30 1 FKEF C=CCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 84669139 FQUWAGBGFJRPDJ-GHSKVMHMSA-N 368.605 7.127 30 1 FKEF C=CCn1c(O)c(/N=N/C(S)=N/c2ccccc2F)c2ccccc21 101733895 DCQPEFSXZNSWHI-QURGRASLSA-N 354.410 5.373 30 1 FKEF N#Cc1ccccc1SCc1nc2c3ccccc3c3ccccc3c2[nH]1 586964467 DPXZSLVDMJQXMC-UHFFFAOYSA-N 365.461 6.033 30 1 FKEF N#Cc1ccc2c(C(=O)c3sc4cccc(Cl)c4c3Cl)coc2c1 587279936 VIYQYRRSCBOSDU-UHFFFAOYSA-N 372.232 6.057 30 1 FKEF CCOc1ccccc1-c1cccc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c1 587779889 ITPONBJYEXWNQK-UHFFFAOYSA-N 364.408 5.039 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(F)c(Br)c1 587915199 KMGAZHDZWGWEGO-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF CCCCCCC=CC[C@H](CCCCCC(=O)O)CCc1ccccc1 2356553961 NMFIWEWVSZZXKA-JOCHJYFZSA-N 358.566 7.187 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1c1c(O)cc(-c2cc3ccccc3o2)cc1O 14584430 UPLNMKNMLLBKKI-SNRMKQJTSA-N 362.469 6.607 30 1 FKEF biogenic CCCCCCCC/C=C\CCCCCCC(=O)c1nc2ccncc2o1 42850783 AXNYGFLUPIDENJ-KTKRTIGZSA-N 370.537 7.053 30 1 FKEF Cc1ccc(Nc2nc(C)c(C(=O)/C=C/c3ccc(Cl)cc3)s2)cc1 64539098 UKCHZGHNHWWPPT-KPKJPENVSA-N 368.889 6.053 30 1 FKEF Cc1cc(C)cc(Oc2nc(C)ccc2/C(=N/O)NC2CCC(C)CC2)c1 72181920 QYQPBASQODDBMM-UHFFFAOYSA-N 367.493 5.103 30 1 FKEF COc1ccc(C(=O)/C=C/c2cccc(Cl)c2)c2c1C=CC(C)(C)O2 84653530 JCHPWDHTOYHTQM-VQHVLOKHSA-N 354.833 5.429 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)cnc2ccccc12 587914405 DZJULWWNHKITBU-UHFFFAOYSA-N 361.750 5.315 30 1 FKEF C[C@@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 2356517182 AIWMJAGAGKKIFO-PVDMVPRFSA-N 368.517 5.187 30 1 FKEF CC1=CC(C)(C)Nc2ccc(Cc3ccc4c(c3)[C@@]3(C)O[C@@H]3C(C)(C)N4)cc21 2356539428 NYOWOQUEQHRHDZ-RCZVLFRGSA-N 374.528 5.703 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3cccc(OC(F)(F)F)c3)C2)cc1 36389376 AXUQTBYZZGFSBD-OAHLLOKOSA-N 362.347 5.124 30 3 FKEF CC1(C)CC(O)=C(C(=O)Cc2ccccc2)/C(=N\CCc2ccccc2)C1 18140813 KRWYPXOBCUFRII-QQTULTPQSA-N 361.485 5.114 30 1 FKEF CCc1ccc(/C=C2\Oc3cccc(OCC4CCCCC4)c3C2=O)cc1 49803130 IZGFHGFOUXGYAM-JCMHNJIXSA-N 362.469 5.824 30 1 FKEF COc1ccc(-c2cc3ccccc3nc2/C=C/C(=O)c2cccs2)cc1 95593413 GEOSQWQGHFXYBD-OUKQBFOZSA-N 371.461 5.868 30 1 FKEF CCCCCCCCCCC/C=C/C=C/CCCC(=O)OC[C@@H](O)CO 103185579 CEPAYHKRLMYIBN-STBGGJIISA-N 368.558 5.086 30 1 FKEF C=C(C)[C@H]1CC=C(C)[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819946 XKICRSWZRAFPJK-ZUEVXXBESA-N 364.302 5.250 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cn(C2CCCC2)nc1C(F)(F)F 587914425 FWKZXGHRZVPQOX-UHFFFAOYSA-N 368.786 5.079 30 1 FKEF CCCCCCCCCCC[C@@]1(CC)NCCc2c1c(C(C)C)nn2C 962907718 IPMHRIGPXFZDPY-HSZRJFAPSA-N 361.618 6.215 30 1 FKEF C=CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 13760809 SHHRGTSWHYAUSC-WYGYKLAHSA-N 358.566 5.542 30 1 FKEF CN(C)c1ccc(/C=C/C(=O)c2cccc(Oc3cccc(O)c3)c2)cc1 40846815 LUYABVJJMKJRED-SDNWHVSQSA-N 359.425 5.147 30 1 FKEF C=C(CCCCCCCCCC)C(=O)Nc1ccc(Cl)c(Cl)c1 43780969 CZHCKQQUMMJRME-UHFFFAOYSA-N 356.337 7.019 30 1 FKEF COc1cccc(-c2cnc(Nc3ccccc3Cl)c(Cl)c2C#N)c1 115368689 VPMOJSCEBDLYGF-UHFFFAOYSA-N 370.239 5.679 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)OCC[N+](C)(C)C 150268477 PVXGXBXEHLTWOE-SEYXRHQNSA-N 368.626 6.273 30 1 FKEF in-vitro CO/N=C1\[C@@H]2CCC[C@]1(C)[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 169333009 LITALIXFZJINEA-VXSHLAKTSA-N 370.443 5.159 30 1 FKEF C=C(CCC=C(C)C)[C@H]1C/C=C(\C(=O)O)CC/C=C(/C)CC/C=C(\C)CC1 238765787 XDZVNBMUIGWTCQ-MZFMWBAISA-N 370.577 7.553 30 1 FKEF CCCCCC/C=C\[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821816 XZUCOPCLRJQVGH-OLKUVTFQSA-N 354.307 5.690 30 1 FKEF C=CCC(C)(C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587954153 GCFLFXJCIAEALV-UHFFFAOYSA-N 363.177 5.078 30 1 FKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)OC)CC[C@H](OC(C)=O)[C@@]21C 2356558561 DAAOHIJBEDBLLK-DKQPQCJKSA-N 374.521 5.002 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(CCCCC(=O)O)CCC[C@@]23C)C1 27093779 IFIXXFKTBDCXOX-YOQJOLSQSA-N 358.566 6.767 30 1 FKEF CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCCCC(=O)OC 85580030 QWSZTLFFEPDHPO-UXHICEINSA-N 358.563 5.143 30 1 FKEF biogenic CCCCCCCCCCCC/C=C/CC(=O)C1=C(O)C[C@@H](O)CC1=O 100088597 YEFDDSMURKQPEL-KAUXGEHWSA-N 364.526 5.349 30 1 FKEF in-vitro COC(=O)CCC/C=C/CCCCCCCCC#C/C=C/Br 169621998 RJHPNNYGRMJAPM-GEFYFZSISA-N 369.343 5.919 30 1 FKEF CCCCCCCCCC=CCCCCCCC(=O)Cc1cccc(O)c1 2356683077 GIVJKSRWUFQGDW-UHFFFAOYSA-N 372.593 7.541 30 1 FKEF CCCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 13746833 TWSVBZORGBDMKX-NRDYJASWSA-N 368.561 6.060 30 1 FKEF CCCC/N=C(/C)Nc1nnc(-c2ccccc2-c2ccccc2)s1 40465157 MWWFJWIKDCVIPT-UHFFFAOYSA-N 350.491 5.503 30 1 FKEF CCCCCCCCCCCCC[C@@H]1Cc2cccc(OC)c2C(=O)O1 85966666 XLHGNDPCTOKAMI-HXUWFJFHSA-N 360.538 6.478 30 1 FKEF biogenic C=C[C@]1(C)CC[C@@H](C(=C)COC(=O)c2ccc(Cl)cc2)C[C@H]1C(=C)C 299833218 MDTUUDVTKCBYCB-KAGYGMCKSA-N 358.909 6.238 30 1 FKEF CCCCCCC/C=C/C[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587487619 FTZMIVJOZBUBNA-HRBBJJPOSA-N 358.522 6.375 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1c(O)c(O)cc2ncoc12 2356418033 VRCMSDQYPBPHCD-SRBBEKPSSA-N 355.478 5.580 30 1 FKEF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2C[C@@H]3O[C@]3(C)C[C@@H]2[C@@H]2O[C@@]21C 2356717326 OVEGDGKHYKKMJM-YKRKNXEMSA-N 370.533 5.021 30 1 FKEF C=C[C@H](C)[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29415347 ROQNRNMUXQFMDI-PSLXWICFSA-N 361.485 6.225 30 1 FKEF Cc1c/c(=N/N=C\c2ccc(Cl)cc2)c2cc(C(F)(F)F)ccc2[nH]1 64600043 FKIBUAOCNHZRGD-RMORIDSASA-N 363.770 5.083 30 1 FKEF C=C[C@H](OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1ccc(OCC)c(OC)c1 103213806 NTCIBNHPEUHQOT-ABSDTBQOSA-N 358.478 5.103 30 1 FKEF C=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OCC 587477128 FCZZBXWFUOETIO-QFIPXVFZSA-N 366.457 5.178 30 1 FKEF CCCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1C 587561325 NWTSFMRLNWPELK-UHFFFAOYSA-N 359.514 5.598 30 1 FKEF Cc1cc(Cl)cc2c(C(=O)c3ccc(C#N)cc3)c(C(F)(F)F)[nH]c12 587624623 PZKSZALPNMFXKU-UHFFFAOYSA-N 362.738 5.251 30 1 FKEF C=CCOc1ccc(C#Cc2cc(Cl)ccc2OC)c(C(F)(F)F)c1 587913897 MYQSGZYNZHIBQG-UHFFFAOYSA-N 366.766 5.332 30 1 FKEF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC#N)CCc1ccc(OC)cc1 963241858 OBBRKKGVPALZKD-YADARESESA-N 362.517 5.094 30 1 FKEF CCn1nc(-c2ccncc2)c(C#N)c1/C=C/c1cccc2ccccc12 49073488 SLYYOQMSBMGXOD-ZHACJKMWSA-N 350.425 5.160 30 1 FKEF CS/C(=N\C(=N\c1ccc(Cl)cc1)c1ccccc1)N1CCCCC1 53186464 MLYRKDSPYWHBAK-JMALZQNKSA-N 371.937 5.623 30 1 FKEF CCCCCCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@H](N)CO 167377288 KHMOVAZCVMSUTQ-LLGFMYMCSA-N 353.591 5.261 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587158609 PXYJERIRMZLTCS-UHFFFAOYSA-N 356.400 5.577 30 1 FKEF C#C[C@@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 587367762 UMUJVHSLLMCHAL-OAHLLOKOSA-N 353.421 5.395 30 1 FKEF C=C1[C@@H](NC)CC[C@@]23C[C@]24CC[C@@H]2C=C(CC)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13 1857563291 IAOHKUHTISLZRB-USTCYXQMSA-N 353.550 5.053 30 1 FKEF CCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1 2356385010 GEGHXTKFDOJTMY-UHFFFAOYSA-N 362.510 5.965 30 1 FKEF CC1(C)C(CCO)=CC(=O)[C@@]2(C)[C@]1(C)CC[C@]1(C)C(C)(C)CCC[C@@]21C 2356739438 APUDWPZTWSYKLP-YCAMKHIRSA-N 360.582 5.933 30 1 FKEF C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(F)cc2)cc1 13524758 YAFKPXBOIWDHOW-UHFFFAOYSA-N 369.480 5.114 30 1 FKEF CC1(C)CCC(C)(C)c2cc(C(=O)/C=C/c3ccc(C(N)=O)cc3)ccc21 27988062 VQMUNYYUHJUPNG-KPKJPENVSA-N 361.485 5.031 30 1 FKEF Clc1ccc2c(N/N=C\c3ccc(Br)cc3)ccnc2c1 33911279 AIFWTMNQUGHJCM-JMIUGGIZSA-N 360.642 5.097 30 1 FKEF CCCCCCCCCCCCCCC[C@H]1O[C@]1(C)C(=O)N[C@H](C)CO 44404365 WTOKUHHGBBPESF-SJBKTWHCSA-N 369.590 5.122 30 1 FKEF CC1(C)OC2=C(C(=O)CCC2)[C@H]2C3=Cc4ccccc4O[C@@]3(C)CC[C@H]21 73296575 NDUXZCSICWBUGI-OFSQETHSSA-N 350.458 5.063 30 1 FKEF CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(C)ccc1C 104082229 UMFGINYPQRRSFK-QWODIWHTSA-N 367.489 5.311 30 1 FKEF C#C[C@@H](CCCCCCC(=O)O)[C@@H](C#C)C[C@@H]1O[C@@H]1CCCCCCCC 169317253 FAIJXZMKXGTJDJ-GPJHCHHRSA-N 374.565 5.819 30 1 FKEF O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccsc1)c1ccccc1 1772579474 VMQWBDSQDWUIAG-VAWYXSNFSA-N 356.450 5.497 30 1 FKEF C=CC[C@H](CCC=CC=CCCC=C[C@@H]1CSC([C@@H]2C[C@H]2C)=N1)OC 2356451100 SSJXRCYFOOLEKV-XRXFAXGQSA-N 359.579 5.976 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(/C=C/C=C/C(=O)O)CCC[C@@]23C)C1 27101379 KNBVTHPKILKUNJ-WASULSDHSA-N 354.534 6.319 30 1 FKEF CCCCCC#CCc1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27754600 VXCPTRRVQGVIOH-LEWJYISDSA-N 366.545 6.432 30 1 FKEF C=CCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1 28219156 QRBSRNQOZJZBHS-UHFFFAOYSA-N 352.459 5.039 30 1 FKEF CCCCCOc1cc2ccccc2cc1[C@@H](O)CC#CCCCC(=O)O 28528221 HJJUCWLDYNIYRW-NRFANRHFSA-N 368.473 5.091 30 1 FKEF Oc1ccc(/C(Cc2ccc(Cl)cc2)=N\c2ccc(Cl)cc2)c(O)c1 49054803 KWDKFDUOQUVHNH-NMWGTECJSA-N 372.251 5.768 30 1 FKEF Cc1ccc(Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1 73220706 DZFQYIRFCOZZQD-PXLXIMEGSA-N 361.470 5.108 30 1 FKEF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 103868316 SZIOVWAOOREOCM-CQGUWYRNSA-N 359.491 5.146 30 1 FKEF CCCCC/C=C\CCCCCCCCC(=O)C1=C(O)CC[C@@H](O)C1=O 169349654 URQIXKBPBUXBHD-PXDRNWIDSA-N 364.526 5.349 30 1 FKEF N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1cccc(-c2ccccc2)c1 200840030 SZLPVSVSBXDHNW-UHFFFAOYSA-N 364.404 5.381 30 1 FKEF CC(C)(C)c1ccc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507745 SEDVXVMHEHSSAB-RUZDIDTESA-N 373.496 5.637 30 1 FKEF CCCCCCCCn1c(C(=O)/C=C/c2ccc(C)cc2)nc2ccccc21 1857649117 KRBUXECPHWIIRE-ISLYRVAYSA-N 374.528 6.601 30 1 FKEF COC(=O)CCCC=CC#CCCCCCCCCC=CBr 2356554741 WWFLBNXLNKEDKU-UHFFFAOYSA-N 369.343 5.919 30 1 FKEF CCCCCCCCCCCCCCc1[nH]c(=S)[nH]c(=O)c1CC 43366227 SRDZOEKBBQRQRC-UHFFFAOYSA-N 352.588 6.238 30 1 FKEF CCCCCCCCCCCC[S@@](=O)c1ccccc1[S@](C)=O 71295524 IBHSISCEEJUVIT-PKTZIBPZSA-N 356.597 5.453 30 1 FKEF C=C1OC(=O)[C@@H](C(=O)CCCCCCCCCCCCCCC)C1=O 169717082 CBAJICLXNWJUJE-IBGZPJMESA-N 350.499 5.293 30 1 FKEF Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)c1coc2cc(C#N)ccc12 587278341 PARRXIBDWBQDJB-UHFFFAOYSA-N 361.784 5.757 30 1 FKEF N#Cc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626795 XNWFGNHRDQSOTJ-UHFFFAOYSA-N 354.253 5.744 30 1 FKEF N#C/C(=N\Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc2c(c1)CCCC2 1857753958 UWCOUBGRFHQYRP-HKOYGPOVSA-N 372.255 5.047 30 1 FKEF C=CC[C@H]1Oc2cccc(COC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493621 PJVQNRZKYCGBAA-LJQANCHMSA-N 361.485 6.117 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(=C/C(=O)O)COC(C)=O 14486335 UZVOKBODOSKIIR-VEHBUBSWSA-N 362.510 5.140 30 1 FKEF C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc(-c2cccc3ccccc23)cc1O 28826562 VEVIHFDYDQIEBJ-NFBKMPQASA-N 370.492 6.934 30 1 FKEF CCCCCCCCCCCCSC1=CC(=O)N(C(C)(C)C)S1=O 49694606 XQOXCGDCQZWLSJ-UHFFFAOYSA-N 373.628 5.786 30 1 FKEF Cc1ccc(C)c(SC2=C(O)OC3(CCC(C(C)(C)C)CC3)CC2=O)c1 49933188 UUDCDNVADPCQSW-UHFFFAOYSA-N 374.546 6.087 30 1 FKEF CC(C)(C)C(C)(C)OC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F 68574278 ZTCRBFQGIXQFRH-UHFFFAOYSA-N 362.232 5.028 30 1 FKEF biogenic O/N=C(\NC1CCC1)c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1 72103102 WBFFWYJBXPZFIQ-UHFFFAOYSA-N 373.412 5.051 30 1 FKEF CCCCCCCCCCCCN1CCN2CCc3ccc(F)cc3[C@H]2C1 299811210 PDHBXTYQYGZIEG-XMMPIXPASA-N 374.588 5.961 30 1 FKEF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C#N)cc3[nH]2)cc([N+](=O)[O-])c1 587135798 ONODPPYBUDPRAP-UHFFFAOYSA-N 372.359 5.124 30 1 FKEF CCCCCCC/C=C\C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525864 SHCCIHHQIQECEV-XCJSZKDFSA-N 354.534 6.596 30 1 FKEF CCCCCCCC[C@H](O)c1ccc(/C=C\[C@H](O)CCCC(=O)O)s1 73354832 FWUNPRXPKPPGLO-BSKSSJJLSA-N 368.539 5.161 30 1 FKEF COc1ccc2c(c1)C(=O)/C(=C/c1ccc3oc4ccccc4c3c1)CO2 95559811 NQZGTYWPAWKPNS-XNTDXEJSSA-N 356.377 5.253 30 1 FKEF C[C@]1(c2cccc(N=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573824 DGBGRBIBGRFLAA-WIYYLYMNSA-N 373.368 5.211 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2Cc3ccccc3N2)cc1 587906827 UKMUJVQCCVIEMR-QFIPXVFZSA-N 359.856 5.458 30 1 FKEF CCCCCCCCCCCCCCCCC=CCCCC(=O)OCC 2356834772 KERPRAFQPNKNQN-UHFFFAOYSA-N 366.630 8.147 30 1 FKEF C#Cc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1 143181156 HBTGAERHCAWPBD-UHFFFAOYSA-N 372.420 5.625 30 1 FKEF CCCCCCCCC/C=C/[S@@](=O)c1cc(O)c2ccccc2c1O 169729647 IITYBDHZPSZCDD-VXIGYJSRSA-N 360.519 6.013 30 1 FKEF COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(Cl)cc1 299865239 SYTBCWDMEUUHOI-YRNVUSSQSA-N 372.848 5.165 30 1 FKEF Cc1cc(-c2[nH]c3cc(F)ccc3c2C#N)c(C)n1CCc1ccccc1 587636139 RSHMLQDBKMHWIA-UHFFFAOYSA-N 357.432 5.507 30 1 FKEF CN(C)c1ccc(C(=NNc2cccc3ccccc23)c2ccccc2)cc1 2356319381 CINZXNOJKZXWAZ-UHFFFAOYSA-N 365.480 5.770 30 1 FKEF CCCCCCCCC=CCCCCCC[C@@H](C(=O)OC)[C@H](O)C(C)=O 2356494089 RKVXHJRCUIJAHS-NHCUHLMSSA-N 368.558 5.373 30 1 FKEF C=C(CNC(=O)CCCCCCCCCCCC=CCCCC)C(=O)O 2356794034 KWNUYZVGIDSJQP-UHFFFAOYSA-N 365.558 5.781 30 1 FKEF O=C(NO)c1cc2ccc(NC(c3ccccc3)c3ccccc3)cc2s1 28899978 OUFYTIFXFSVPRS-UHFFFAOYSA-N 374.465 5.222 30 1 FKEF COc1ccc(COc2cccc3c2C(=O)/C(=C/c2ccccc2)C3)cc1 117018313 VGTNLXYNUWQLFI-XSFVSMFZSA-N 356.421 5.097 30 1 FKEF CC(C)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 2356743203 JSHASXVESQAJJO-VVTCJOSFSA-N 366.589 6.759 30 1 FKEF COc1ccc(C2=CN(Cc3ccccc3)[C@@H](c3ccccc3)CC2=O)cc1 61948209 IAYVYEXFIAOUPL-XMMPIXPASA-N 369.464 5.252 30 3 FKEF C=CCN1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 13776231 WDOKGNOTOAMJEX-CBQGHPETSA-N 369.455 5.252 30 1 FKEF CC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CC(=O)O 85557342 BPKMPDBOJSCKEJ-NIUMEYSMSA-N 362.469 5.612 30 1 FKEF O/N=C(\CSc1cccc2ccccc12)c1cc(Cl)sc1Cl 95579660 KHOLHGWHHQCHTN-CPNJWEJPSA-N 368.310 6.179 30 1 FKEF CCC1=C(O)c2c(oc(-c3ccc(C)cc3C)cc2=O)C(CC)(CC)C1=O 102229871 NNFBBNAHAGWVOC-UHFFFAOYSA-N 366.457 5.243 30 1 FKEF C[C@@H](C#N)C[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504107 MOVNLIHCBRTFKA-CMJOXMDJSA-N 363.432 5.115 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(C#N)c2c1 587643528 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OMALUWGOWZYSCJ-PSAYVOGOSA-N 361.526 5.183 30 1 FKEF CC(C)(C)C#Cc1cc(-c2ccc(/C=C/C(=O)O)cc2Cl)ccc1O 40862712 VWCJLBHQLMBOFA-WEVVVXLNSA-N 354.833 5.208 30 1 FKEF C[C@@H](c1cccc(C#Cc2ccc3c(Cl)c(CN)sc3c2)c1)N(C)C 72109917 WWPNWGYPDKSGRS-AWEZNQCLSA-N 368.933 5.036 30 1 FKEF CCC/C(=N\c1ccccc1OC)C1=C(O)C[C@H](c2ccccc2)CC1=O 101885339 JHVOKYGOOLRRTD-YDSCJXCKSA-N 363.457 5.527 30 1 FKEF Cc1ccc(C(=O)/C=C/c2cc(C)c(O)c(/C=N/c3nccs3)c2)cc1 169345834 YHKPHLXCSVXPBQ-PBWYYWLFSA-N 362.454 5.112 30 1 FKEF C=CCc1cccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587163218 MIMAVCSXHQNJQM-UHFFFAOYSA-N 356.400 5.329 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H]1[C@H](CC#N)C1(C)C 587626338 SMNUKRHZYADCQZ-BONVTDFDSA-N 374.328 6.167 30 1 FKEF N#CCCCOc1cccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c1 962658528 DDFJQRRGMGIZAC-RUZDIDTESA-N 368.480 5.271 30 1 FKEF N#Cc1ccccc1-c1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)o1 963101568 DLCMDBBWYMMNOJ-WZONZLPQSA-N 358.416 5.067 30 1 FKEF C=C1CCC[C@@]2(C)[C@@H](CCC(C)=CC(=O)O)[C@](C)(CCC=C(C)C)CC[C@H]12 2356792816 GVNLWAMQXITKTC-PEISPCAHSA-N 372.593 7.323 30 1 FKEF CCCCCCCCCCCCC/C=C1/CO[C@](CO)(COC(C)=O)C1 34800461 HMTDLPGFCMYTID-ONQWYEKWSA-N 368.558 5.328 30 1 FKEF CCCCCCCC[Si](C)(C)CCCCCCCC(=O)NCCO 473089754 LSTRSXGSBXYUOR-UHFFFAOYSA-N 357.655 5.504 30 1 FKEF CCCCCC/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821818 XZUCOPCLRJQVGH-SDIMBJMBSA-N 354.307 5.690 30 1 FKEF CCCCCCC[C@@H](C(=O)OCC)[C@]1(C)NCCc2c1sc(C)c2C 963012910 RMQLXEFOJIANNM-RXVVDRJESA-N 365.583 5.266 30 1 FKEF CC[C@H](C)C=CC=CC(=O)O[C@@H]1C=CC2=CC(=O)C(=C(C)C)C[C@@]2(C)[C@@H]1C 2356531009 OPSLYPDRADIUGV-OXADMNAJSA-N 368.517 5.505 30 1 FKEF COc1ccc(-c2sc3ccccc3c2C#CC2(O)CCCCC2)cc1 15935772 LFYWOHLDCRVFDH-UHFFFAOYSA-N 362.494 5.624 30 3 FKEF N#CCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3s2)c1 29230801 FVAAHBHWXQJFLG-UHFFFAOYSA-N 362.241 5.122 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CCc2cc(OC)ccc2C1 42923656 JZKSWHPVJNPNJW-DEOSSOPVSA-N 373.625 6.843 30 1 FKEF N#Cc1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627545 BNBGJAPLUMWUFJ-UHFFFAOYSA-N 355.241 5.139 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1-c1cccc(C(=O)O)c1 587901885 YFLONSFKKQSNAX-UHFFFAOYSA-N 362.812 5.114 30 1 FKEF Cc1cccc2nc(N/N=C\c3ccc(Oc4ccccc4)cc3)sc12 1857654830 WEVRQBAXONJIAE-HMAPJEAMSA-N 359.454 5.843 30 1 FKEF C=CCN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 13861964 MMRRATOYUMFVAD-KORDQABASA-N 367.920 5.627 30 1 FKEF COc1cc(/C=C/C(=O)CC[C@H]2C(C)=CCCC2(C)C)cc(OC)c1OC 40916638 XLQZPLQDVYMMKP-YXBWYFRISA-N 372.505 5.457 30 1 FKEF COC1=C(OC)C(=O)C(CCCCCCCCC(C)(C)C)=C(C)C1=O 95603259 XYLMITVPPAELJI-UHFFFAOYSA-N 350.499 5.126 30 1 FKEF CCCCCCCCCCCCCCCCNC(=O)C1(/C(N)=N/O)CC1 142105900 DZZUFBWUGQUZEI-UHFFFAOYSA-N 367.578 5.111 30 1 FKEF COc1cc(C)c(OC)c(C/C=C(\C)CC(=O)/C=C(/C)CCCC(C)=O)c1 238774680 HBQWICVKEPKIDG-QOLBCMIVSA-N 372.505 5.166 30 1 FKEF CCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@]2(C)C=CC(=O)C=C12 253994854 WLAOFEXUHCVHAH-ALHZMOMGSA-N 354.534 5.670 30 1 FKEF CCCCCC/C=C\CCC[C@H](CCCC(=O)O)CNC1CCCCC1 85506153 XUAFPZFWJUVQQE-GIWCCYDRSA-N 365.602 6.477 30 1 FKEF biogenic,in-vitro CCCCCCCCCCC/C=C\CC/C=C/C=C\C(O)=N\CC(C)C 85663717 WBBCNGSATYECFE-LSJCJZQESA-N 361.614 7.969 30 1 FKEF endogenous,in-man COc1nc(Nc2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1C#N 95588689 BXPIQYIBXRWURQ-UHFFFAOYSA-N 371.227 5.074 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCC/C=C/c1ccco1 221170275 BAYGQECOINCQJZ-RHDZRICFSA-N 358.610 9.111 30 1 FKEF CCCCCCC[C@]1(c2ccc(N)cc2)CC(=O)c2cc(C)cc(N)c2O1 587389860 MSYRMZKBUSAQJF-HSZRJFAPSA-N 366.505 5.381 30 1 FKEF O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F 1857742268 HVHROOIVCVTTKV-UHFFFAOYSA-N 350.364 5.440 30 1 FKEF CCCCCC(=O)C(C)=C(C)C(=O)CCCCCCCCCCC(=O)O 2356672508 MKFXSITYYDXRME-UHFFFAOYSA-N 366.542 6.027 30 1 FKEF CCC(C)(C)/N=C(/Nc1nccs1)Nc1cc(C)nc2ccccc12 26155426 GZRCLWRIKGVBIZ-UHFFFAOYSA-N 353.495 5.068 30 1 FKEF N#Cc1cnc2sc(-c3ccccc3)cc2c1Nc1cccc2cc[nH]c12 29046985 NICQSXATZKRSNI-UHFFFAOYSA-N 366.449 6.060 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCc1nc2ncccc2o1 43938978 HISAHICCDRUHQQ-KTKRTIGZSA-N 370.581 7.803 30 1 FKEF C=CCC[C@@H](C)C(=O)[C@@H](C)C[C@@H](C)NC(=O)CCC/C(=C/Cl)CCC 169325395 MTSIKQYOKFAJKC-LUBKUIQOSA-N 369.977 5.782 30 1 FKEF C=C1C=CC(C)(C)[C@H](OC(=O)c2ccc(O)c(OC)c2)CCC(C)=CCC1 253783085 WCPPMAAKIAIVQU-OAQYLSRUSA-N 370.489 5.585 30 1 FKEF CCCc1c(O)ccc2c1O[C@](C)([C@H](C#N)c1ccc(Cl)cc1)CC2=O 587458595 ATAIRIRJYIZUFE-UTKZUKDTSA-N 369.848 5.029 30 1 FKEF CCCCCCCCC=CCCCCCCC1=C(O)[C@@](C)(OC)OC1=O 2356671108 OIEZJKMVJYGTMT-QFIPXVFZSA-N 366.542 6.365 30 1 FKEF CCCCCCCc1cc(C=C2N=C(c3ccc[nH]3)C=C2OC)[nH]c1C 2356742997 RSQIMZJGVPOAIK-UHFFFAOYSA-N 351.494 5.538 30 1 FKEF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(=O)O 38791547 JJEWWCWHZFDCDG-PXTZRIKZSA-N 372.549 5.658 30 1 FKEF C=C[C@H](C)CC[C@H](C[C@H]1O[C@]1(C)CCC=C(C)C)C(=C)CCCC(C)C 102191527 DFYPQSCRXJHGDF-KVZCNWPJSA-N 360.626 7.881 30 1 FKEF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)CC[C@H]1C(C)(C)S 587489888 FJQIDNMXQWUHSM-FPSMJMQUSA-N 362.535 5.193 30 1 FKEF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1C#N 587859797 JCEBDBIAFNEFBL-UHFFFAOYSA-N 358.228 5.116 30 1 FKEF CC/C(=C\c1nc2cc(C#N)cc(Br)c2[nH]1)c1ccc(C)cc1 587968917 WOMQKEJXUWHCBA-GXDHUFHOSA-N 366.262 5.456 30 1 FKEF CCCCCCCCC[C@H](C)[C@H]1c2ccsc2CCN1Cc1ccco1 962712589 VDYDOQNXTKUAFF-CVDCTZTESA-N 373.606 7.217 30 1 FKEF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C#C[Si](C)(C)C)cc2)N1 962956815 NLPKQWRDKVBFPS-AUSIDOKSSA-N 372.588 5.411 30 1 FKEF CCCCCCCCC[C@H](C)CCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356404755 WGGHNDTUKMWTHN-IRXDYDNUSA-N 351.531 5.175 30 1 FKEF C=C[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 34891372 DJAAPGPGXVPSMP-CBPXPLCBSA-N 369.455 5.108 30 1 FKEF CSc1sc(C(=O)O)c(-c2ccc(-c3ccccc3)cc2)c1C#N 38147747 RZEKJVHTNOHVAI-UHFFFAOYSA-N 351.452 5.374 30 1 FKEF C/C(=N\Nc1csc(-c2ccc3c(c2)CCC3)n1)c1ccc(Cl)cc1 40977130 QYJUUEJBVHPIPR-YDZHTSKRSA-N 367.905 5.788 30 1 FKEF C=C([C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C)[Si](C)(C)C 195462707 JFKLSOGJCSULAK-MHMIHQHRSA-N 370.609 5.413 30 1 FKEF CCCC1(CCCC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)CCCC1 2356361356 ZRFKIKFIMHPVGN-UHFFFAOYSA-N 372.505 5.473 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1c(Cl)cccc1Cl 299825267 FDNYFDLJKYCUED-GFCCVEGCSA-N 365.281 6.002 30 1 FKEF CCCCCCCC(=O)NCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 587228539 RZFSALQOMJYGID-UHFFFAOYSA-N 357.542 5.270 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(Cl)cc(F)cc1Br 587916398 JLDSKXCEQKEHSR-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF Cc1nc(C)c(/C=C2\C[C@H](C)C/C(=C\c3ccccc3Cl)C2=O)nc1C 1772657760 GFYMNVAVWCJTDO-KNKXRINGSA-N 366.892 5.521 30 1 FKEF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3ccc([N+](=O)[O-])cc3)cs1)C2 1857649957 RYPMJNINWUHVAQ-YMGUWVMPSA-N 370.478 5.332 30 1 FKEF COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCCCCCCC#N)=N1 26574663 KQZNDIWRRFISKK-SDXDJHTJSA-N 362.477 5.624 30 1 FKEF Cc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)ccc2[nH]ccc12 45318160 JSBPEIYUYLNLLN-BQYQJAHWSA-N 350.425 5.657 30 1 FKEF C=C[C@@H](C)CC[C@@H](C[C@H]1O[C@]1(C)CCCC(C)C)C(=C)CCCC(C)C 102191550 YOCDPWQZFQLBCY-RVFVQDDPSA-N 362.642 7.961 30 1 FKEF CO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1 103521295 IEZDBCVOOQERGN-FBKQIBBUSA-N 371.502 5.026 30 1 FKEF CCCCCCCCC[C@H](O)CCCCCCCCCCCC(=O)OC 158185059 WGEMHCMSJPPUBE-QFIPXVFZSA-N 370.618 6.952 30 1 FKEF CCCCCCC/C=C/c1ccc(COC(=O)c2cccc(O)c2O)cc1 1857542515 WRNOZJPHCOWVKR-CSKARUKUSA-N 368.473 5.829 30 1 FKEF C=CCOc1ccc(CCc2cc(OCC=C)cc(OCC=C)c2)cc1 1857750117 OKMFUUKJEUGCRA-UHFFFAOYSA-N 350.458 5.166 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCCO)C3)C[C@H](CCO)[C@H](C)[C@]2(C)[C@@H]2[C@@H]1C2(C)C 2356367080 WBGLQINEGPNURX-HHZJOVJOSA-N 372.593 5.359 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)ccc1O 2356467325 MCWRSBQVRBILTP-BKMALILDSA-N 356.506 5.520 30 1 FKEF N#Cc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1 73195646 JEQABWAFHZXXLZ-UHFFFAOYSA-N 361.792 5.019 30 1 FKEF CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1Cl 169332819 ULQYEIKIADRJHW-UHFFFAOYSA-N 367.041 7.618 30 1 FKEF CC(=O)O[C@H]1c2oc(cc2C(C)C)[C@@H](C)CC/C=C(/C)CC[C@@H]2O[C@]21C 169364135 MVULDMBCESYPJZ-GFPFHYDESA-N 360.494 5.789 30 1 FKEF N#C[C@H](C(=N)Sc1ccccc1N)c1ccccc1Oc1ccccc1 169718014 QEETYGCDFJREKS-KRWDZBQOSA-N 359.454 5.438 30 1 FKEF CCCCCCC[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527449 WHNXQGPDHPGVKQ-NTKDMRAZSA-N 354.534 6.430 30 1 FKEF CCCCCCCCCCCCCCCC(O)(CC(=O)O)CC(=O)O 43422619 XIMVZSLUNQIRJQ-UHFFFAOYSA-N 358.519 5.148 30 1 FKEF Cc1ccc(/C=C2\CCC[C@@H]([C@H](NO)c3ccc(C)cc3)\C2=N\O)cc1 102934954 HWQOPKDWYTZYLY-JEWUUOLYSA-N 350.462 5.037 30 1 FKEF CC(=O)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137540391 HGUZQVROTZPVIT-LBSVMXRXSA-N 370.577 5.708 30 1 FKEF CCCCCCCCCCCCCCSc1ccccc1C(=O)O 261184458 WXZAVURXPFSZJQ-UHFFFAOYSA-N 350.568 7.178 30 1 FKEF CCCCCCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812137 IJGPGULICCYRMB-LIRRHRJNSA-N 370.350 6.088 30 1 FKEF CCCCCCC/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821583 VXKQRVZNDIVMFM-YRISJXQJSA-N 368.334 6.080 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1 587899050 YABZARKRKRPIKR-UHFFFAOYSA-N 368.948 6.538 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(/C=C\c2ccc(C=O)cc2)cc1 587905883 LSXUVDLEGGUBMJ-IHWYPQMZSA-N 372.851 5.731 30 1 FKEF Fc1ccc(-c2[nH]c3ccccc3c2/C=N/Nc2ccc(Cl)cc2)cc1 653699288 ZIACRMXZGGTPFF-ZMOGYAJESA-N 363.823 6.073 30 1 FKEF CCCCCCCCc1cn(-c2ccc(C)cc2)n[n+]1Cc1ccccc1 1857537798 RKJBNTXOQDAKOT-UHFFFAOYSA-N 362.541 5.420 30 1 FKEF CCCCCCCCC=CCCCCCCCC=C[C@H](O)C#CC#CCO 2356679994 OQJJHNNWSRRUMI-VWLOTQADSA-N 372.593 5.940 30 1 FKEF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(/C=N\C)c2c1 28651272 URSVWMXPVLYZGJ-MXAYSNPKSA-N 358.407 6.245 30 1 FKEF CC(=O)C1=C(C)Nc2cc(Cl)ccc2S[C@H]1c1ccccc1[N+](=O)[O-] 42989510 UCAKROOQNFWEPW-SFHVURJKSA-N 374.849 5.370 30 1 FKEF O=C(CCCCCCOc1ccc(-c2cc(=S)ss2)cc1)NO 49583001 JOBWAXWKZPONDF-UHFFFAOYSA-N 369.533 5.041 30 1 FKEF CCCCCCCCCCCCn1cc(CCN(C)C)c2ccccc21 84708204 CSVKCFXQWYJHKV-UHFFFAOYSA-N 356.598 6.666 30 1 FKEF Cc1nc(SCc2ccc(-c3ccccc3C#N)cc2)c2ccccc2n1 95601874 BQQHEPSRIIBBAN-UHFFFAOYSA-N 367.477 5.769 30 1 FKEF C#CCC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCCCC1 586877574 FEFOTJCJYFHUSE-UHFFFAOYSA-N 356.775 5.340 30 1 FKEF CCCCCCCCC[C@H](C)C[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444641 FJIUYEJIVUOKLJ-FFZOFVMBSA-N 358.522 5.978 30 1 FKEF C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@@]2(C)C(=CC)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2356586895 RGADTGZXHGYDQJ-BISDLQSSSA-N 353.550 5.053 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)CC=C(C(=O)O)CCC=C(C)CC[C@H]12 2356628800 FSKFLBQJBSQQKA-QGGALAHASA-N 370.577 6.933 30 1 FKEF N#CC1(c2ccc(-c3cnc(N)c(-c4ccc(Cl)cc4)c3)cc2)CCCC1 2382221004 KMYJNKQZFICCIK-UHFFFAOYSA-N 373.887 5.987 30 1 FKEF CCCCCCCCCCCCCCOc1cccc(O)c1C(=O)O 14115416 COUQHIRIFUVLDU-UHFFFAOYSA-N 350.499 6.170 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(F)cc2)cc1 587916411 JSLLCPCUMRIEQH-UHFFFAOYSA-N 352.792 5.680 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC([C@@]34C=C[C@@H]5CC[C@H](C=C3)[C@@]5(C)N4)=CC(C)=C2C1 2356775815 BXGIBPZRFLGZCR-LBUGUDNGSA-N 361.573 6.268 30 1 FKEF CCCCCCCCCCCC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2356860446 ZSFFFYIXMCLEBX-UHFFFAOYSA-N 364.446 5.822 30 1 FKEF CCCCCCCCn1cc(C(N)=O)c2cc(-c3cccc(C)c3)ccc21 64539622 QOSSPPCUJRSFJB-UHFFFAOYSA-N 362.517 6.076 30 1 FKEF CCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OC)cc21 72106370 NOKJUWYVFDXNGA-UHFFFAOYSA-N 367.489 5.707 30 1 FKEF CC(C)=CCC/C(C)=C/C[C@@]1(C)C(=O)C(C)=C2O[C@H](C)CC(O)=C2C1=O 85515392 RWVTZZISTKBQMV-YOKOKYJGSA-N 358.478 5.122 30 1 FKEF biogenic,in-vitro CCCCCCC[C@H](C)CCCCCCCCCCC[C@@H](C)CC(=O)O 102181336 OIQLVWBPMHLONE-XZOQPEGZSA-N 368.646 8.385 30 1 FKEF Cc1ccc([C@@H]2CC(O)=C/C(=N/c3[nH]nc(C)c3-c3ccccc3)C2)cc1 103530057 MKQXEPDCNBOHHV-YVTHNELYSA-N 357.457 5.786 30 1 FKEF C=C1OC(=O)[C@H](C(=O)CCCCCCCCCCCCCCC)C1=O 169717083 CBAJICLXNWJUJE-LJQANCHMSA-N 350.499 5.293 30 1 FKEF CCCCCCCCCCCCc1cc(O)nc2c([N+](=O)[O-])cccc12 299863061 KMZTXSMWNCAWKS-UHFFFAOYSA-N 358.482 6.312 30 1 FKEF C#CCC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCCCC1 586877724 LVWJNDOCYUYAQQ-UHFFFAOYSA-N 351.675 5.204 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(OCc2ccccc2)c1C#N 587900103 MCQLUXCYXKTRQF-UHFFFAOYSA-N 373.839 5.199 30 1 FKEF Cc1ccccc1-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1 1772612873 WGWSNWPZDBTGOJ-UHFFFAOYSA-N 350.425 5.415 30 1 FKEF CC=C1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356494603 JKVXXCFZUSFYRI-XSSWNFFXSA-N 369.593 5.475 30 1 FKEF CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356494604 JKVXXCFZUSFYRI-ZYJHKOQQSA-N 369.593 5.475 30 1 FKEF C=C(C(=O)O)[C@@H](CCCC=CCCCCCCCCCCC)C(=O)O 2356589320 DMZSLKOHRRVYHI-LJQANCHMSA-N 352.515 5.975 30 1 FKEF C=CC[C@@H]1Oc2ccc(F)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493624 RWLAOUIUIWXAOY-KRWDZBQOSA-N 365.448 6.118 30 1 FKEF c1ccc(CON=C2C[C@H](c3ccccc3)N[C@@H](c3ccccc3)C2)cc1 43012065 QKSDKDVJNVRIHB-DNQXCXABSA-N 356.469 5.425 30 1 FKEF COc1ccccc1[C@H]1Nc2cc(C)ccc2NC2=C1C(=O)CC(C)(C)C2 43123378 DEMRXOWYVZHJPF-JOCHJYFZSA-N 362.473 5.226 30 1 FKEF CCCCCCCCCCCCCCCCCC(=O)[C@H]1O[C@H]1C(N)=O 43397063 QQZPWGXWTWVRPH-WOJBJXKFSA-N 353.547 5.070 30 1 FKEF C=C(C)[C@H]1CC[C@@H](C)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586992773 ZKKNWENIDMBWRH-ZIAGYGMSSA-N 355.437 5.709 30 1 FKEF CCCCCCCOc1cccc([C@H]2NCCc3c2sc(C)c3C)c1 963005208 DOEHQWQJONWXRG-OAQYLSRUSA-N 357.563 5.949 30 1 FKEF N#CCCC[C@@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963105436 QMJBSOJSMJSWRX-IFMALSPDSA-N 368.883 5.437 30 1 FKEF CC(C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356501558 FFRFYWBYDZTBDQ-KTIOWPBPSA-N 368.605 6.983 30 1 FKEF N#Cc1c(-c2ccccn2)c(NCCc2ccccc2)n2c(Cl)cccc12 36185199 UBCLUDKYNBBUHB-UHFFFAOYSA-N 372.859 5.181 30 1 FKEF CCCCCCCCCCCCCCOc1cccc(/C=C(\C)C(=O)O)c1 43411469 NZTHZJVAZAMRHM-XUTLUUPISA-N 374.565 7.254 30 1 FKEF CCCCCCC[C@@H](O)CCC[C@H](CCCCCCC(=O)O)C(C)=O 59902819 CTAWNNLCPLSSPB-VQTJNVASSA-N 356.547 5.509 30 1 FKEF C=C(C)C(=O)Nc1cccc(-c2ncnc3[nH]cc(-c4ccccc4C)c23)c1 225214754 HNEUAEMHMXKTMX-UHFFFAOYSA-N 368.440 5.115 30 1 FKEF C=C(C/C(=C\c1ccc(C)cc1)C(=O)c1ccccc1)C(=O)c1ccccc1 299862446 NACMLIDXPXHVTF-HKOYGPOVSA-N 366.460 6.091 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)c2ncccc2c1 587914573 JQSBEPZLJBXPNR-UHFFFAOYSA-N 361.750 5.315 30 1 FKEF CC1=C[C@H](C)C[C@H](C)CCC[C@H]2C=C(C)[C@@H](C)C[C@@]23OC(=O)C(=C1O)C3=O 2356342787 GNFFKZIDPGAGMZ-NNKUGTEESA-N 372.505 5.058 30 1 FKEF Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)o1 4102485 BSHVJODVQWCOCC-FQEVSTJZSA-N 353.462 5.402 30 1 FKEF COc1ccc(/C=C2\CCC3=CC4(CC[C@]3(C)C2=O)SCCS4)cc1 71318982 MEOQSAKBRWHXPR-YFIXDKARSA-N 372.555 5.344 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c2c1C=CC(C)(C)O2 84727856 IFQZRSQYUGGIFL-UXBLZVDNSA-N 354.833 5.429 30 1 FKEF COc1ccc(C(=O)/C=C/c2cccc3ccn(C)c23)c2c1C=CC(C)(C)O2 169311492 JARVODYFVJHBML-CSKARUKUSA-N 373.452 5.267 30 1 FKEF O=C(O)CCCC#CC#CCCCCCC/C=C/C=C/Br 169622020 CKJUNWLHPMBFIC-SBLPRGNDSA-N 351.284 5.054 30 1 FKEF CCCCCCCCCCC/C=C\C[C@H](O)COC[C@@H]1COC(C)(C)O1 205019516 OIDMHVREMLCFQV-BDNPHABPSA-N 370.574 5.383 30 1 FKEF C[C@@]12CC[C@@H]3[C@H](C(Cc4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 261179909 VVDWEHROXAUWQZ-ZGYMVXQNSA-N 374.524 5.476 30 1 FKEF CCCCCCCc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404042 CFMNFNQZEFWYBB-DEOSSOPVSA-N 365.517 5.971 30 1 FKEF C[C@@]1([C@H](C#N)c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587505982 MXIJZBLARPMENF-GCJKJVERSA-N 365.860 5.250 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c2ncccc12 587911289 CVZQQWSAZYIXRF-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF C=C1CC[C@]2(C)C(C)=C[C@H](OC(C)=O)C[C@@H]2[C@@]1(C)CC/C(C)=C/C(=O)O 38620317 GEQAFUXTJYVKAK-RYXIGPNRSA-N 360.494 5.058 30 1 FKEF biogenic,in-vitro C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](OC(=O)/C=C\c3ccc(O)cc3)[C@@H]12 40943641 IIZXOWSEQGPRRJ-DSLKVHASSA-N 368.517 5.746 30 1 FKEF CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3)c2)cc1 73196080 PRFCFRLTSFXIEK-QFIPXVFZSA-N 370.448 5.514 30 1 FKEF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC1=CCCC1 118938729 IUVKMZGDUIUOCP-WMGXJHCHSA-N 352.518 5.747 30 1 FKEF biogenic CCC(=O)O[C@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3C 2356309184 JGZZOTUMEGZYFB-QHOYCBOLSA-N 358.522 5.086 30 1 FKEF CCCCCCC=CC[C@@H](CCCCC)CC[C@H](CCN)CCC(=O)O 2356745851 AHYZOUABZXHJSR-YADHBBJMSA-N 367.618 6.710 30 1 FKEF C=C(C(=O)c1ccc(OC)cc1)[C@@H](OC(=O)c1ccccc1)C(CC)CC 299860347 JDYNJXGDFXULCN-JOCHJYFZSA-N 366.457 5.096 30 1 FKEF C=CCC[C@@]1(CCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356798 RXDPCSGSPRVRBJ-IFMALSPDSA-N 354.421 5.395 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(F)cc(Br)cc1Cl 587915772 VTNUQWJIJCNVSU-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF CCCCCCCCCCCCCCc1ccc(CP(=O)(O)O)cc1 653840582 BVNLYJVVVUDOPS-UHFFFAOYSA-N 368.498 6.608 30 1 FKEF CCC=C(C)C(=O)C(C)=C[C@H](C)C=C(C)C=C(C)C(=O)[C@@H](C)C(=O)CC 2356446712 PGVPJDMZSGQKNW-QRWLVFNGSA-N 358.522 5.571 30 1 FKEF Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(O)cc3)c3ccccc23)cc1 28604422 HTNXFMJWRLGXJE-RYQLWAFASA-N 366.420 5.752 30 1 FKEF CC1(C)C[C@@](C)(C#N)N=C1/C=C1/CC(C)(C)C(/C=C2/OC(=N)CC2(C)C)=N1 33917453 AJVGWXNMFPWICK-WMFDAFTDSA-N 366.509 5.202 30 1 FKEF CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2cccc(F)c2)/C1=C(\O)OC(C)C 103520841 CEYSMUIDKRMKGJ-PMIVHWTLSA-N 371.452 5.222 30 1 FKEF CC(C)(C)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879748 HRSXAIIYHIBGBW-UHFFFAOYSA-N 374.311 5.001 30 1 FKEF CCCCCCCCn1cc(CN2CCC(C)CC2)c2cc(F)ccc21 1772643135 BQCYVHSLLOAMQM-UHFFFAOYSA-N 358.545 6.373 30 1 FKEF COc1nc(-c2ccc(F)cc2)cc(-c2ccc(Cl)cc2Cl)c1C#N 1857644236 BVQDMZWLUYGZCV-UHFFFAOYSA-N 373.214 5.742 30 1 FKEF C=C1CC[C@@H]2C(C)(C)C[C@H](OC(C)=O)C[C@@]2(C)[C@H]1CCC(C)=CC(=O)O 2356585597 VMWOMELLRUSCGH-VWNVYAMZSA-N 362.510 5.138 30 1 FKEF CC(=Nc1ccc(C)cc1)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356826100 HHLCCPBEPLWMLG-UHFFFAOYSA-N 368.436 5.145 30 1 FKEF CCc1ccccc1SC1=C(O)OC2(CCC(C(C)(C)C)CC2)CC1=O 49770400 VHAJDVPKLLVWHZ-UHFFFAOYSA-N 374.546 6.033 30 1 FKEF Cc1ccc2nc(-c3c[nH]c4ccc(Br)cc34)c(C#N)cc2c1 73295603 IMBCNGGIESKENQ-UHFFFAOYSA-N 362.230 5.326 30 1 FKEF O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccc(Br)s1 98084789 ARJWXBFGGZJNQU-DHZHZOJOSA-N 369.283 6.074 30 1 FKEF CCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602534 YNYXIUMIUNAAPQ-REWPJTCUSA-N 368.473 5.863 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cn3cc(C)ccc3n2)cc1 587906410 DUNJDLVCRISXAQ-UHFFFAOYSA-N 372.855 5.372 30 1 FKEF CC1(C)[C@H]2Cc3c(nc(O)c(C#N)c3-c3ccc(C(F)(F)F)cc3)[C@@H]1C2 653720654 OKOSMIHGPTVXSZ-WFASDCNBSA-N 358.363 5.030 30 1 FKEF CCCCCCCCC=CCCCCCCCc1cccc(OC)c1OC 2356691286 DKFHLMFPIZLAHI-UHFFFAOYSA-N 374.609 7.894 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)n4ccnc4)CCC[C@@]23C)C1 27105568 YYUULFLSFQSOPB-TZUGMZLSSA-N 352.522 5.659 30 1 FKEF Cc1ccc2ccc(-c3ccc(OCc4ccccc4)c(C#N)c3)cc2n1 49088039 INOCIGKWKFGOCI-UHFFFAOYSA-N 350.421 5.661 30 1 FKEF in-vivo CC(=O)c1cc2cc(/C=C/C(=O)c3ccccc3)c3ccccc3c2oc1=O 64560271 MDZBXPWZACMHAF-VAWYXSNFSA-N 368.388 5.045 30 1 FKEF CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3cccs3)C2=C(O)C1 82055916 ZOIBCLAYIWZWOA-LJQANCHMSA-N 355.503 5.562 30 1 FKEF C=C1CC[C@@H]2[C@@H](C1)c1ccc(C(C)(C)CCCCCC)cc1OC2(C)C 95561452 SSOXJYAQZKOYLZ-FCHUYYIVSA-N 354.578 7.546 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(CO)=CC[C@@H]12 2356710520 GUXDHNIKRQCWIE-XDDZPGGASA-N 368.561 5.651 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3ccc(-c4ccccc4)c(F)c3)C2)cc1 36382286 YCENSHQWVHIOEW-HXUWFJFHSA-N 372.439 6.031 30 3 FKEF C=C(C)CCC[C@]1(C)C2=CCC[C@](C)(C[C@H](O)c3ccoc3)[C@H]2CC[C@H]1C 28826881 PVUVESDYYAEGPI-QOGRTLFLSA-N 370.577 7.228 30 1 FKEF CC(=O)C1=C(C)Nc2cc(Cl)ccc2S[C@H]1c1ccccc1Cl 43061305 ZZUXLHDXWMUKBX-SFHVURJKSA-N 364.297 6.115 30 1 FKEF N#Cc1ccccc1-c1sc2ccccc2c1Oc1ccc(Cl)cc1 45391071 KGISBNKBTHYSTH-UHFFFAOYSA-N 361.853 6.886 30 1 FKEF O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1ccc(Cl)c(Cl)c1 299835418 VRHWGWHDLNLPLL-LBPRGKRZSA-N 365.281 6.002 30 1 FKEF C=CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601511 GOWLDZNLNDBGTH-QPPBQGQZSA-N 372.420 5.216 30 1 FKEF COC[C@@H](OCC(C)C)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906151 SEQSJPDHEHECEL-JOCHJYFZSA-N 372.892 5.109 30 1 FKEF C=CCc1cc([C@@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)ccc1OC(C)C 962946940 MKEAOZOIMGOGET-CYFREDJKSA-N 374.528 5.697 30 1 FKEF N#CCN(Cc1ccc2ccccc2c1)Cc1ccccc1Br 38895474 BBCVYROSBROFPG-UHFFFAOYSA-N 365.274 5.128 30 1 FKEF O/N=C(\C=C\c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 84616166 LBFFXIQDSLKNEI-HRAKXUCQSA-N 371.061 5.648 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCC[C@H](O)C#CC#CCO 86040223 NKDFAYUSKHUVJW-JRUKXMRZSA-N 374.609 6.164 30 1 FKEF CCCCCCCC/C=C\CCCCCCCc1cc(O)c(C)c(O)c1 139099593 KTZDUJBKUSVCCM-KHPPLWFESA-N 360.582 7.596 30 1 FKEF C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OCC)C1=O 473118031 KHYSBNREYPBDKG-KNSMUJDWSA-N 372.505 5.060 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc2ccc(Br)nc12 587913257 LUYULKPMYYNNLP-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF C=C1C=C2[C@]3(C)[C@@H](CC=C[C@]34[C@H]1C4(C)C)CC[C@@]21CC[C@H](CCCO)C1 2356457007 ZLDLTDUYENLDJB-KFJTYWIXSA-N 352.562 6.060 30 1 FKEF CCCC=CCC=CCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 2356631266 XBZLKENMOXIMDN-UHFFFAOYSA-N 360.494 5.514 30 1 FKEF C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]21C)OC(=C)C 2356688150 QFEPEWCZGTYFET-FUOIXIIKSA-N 360.538 6.125 30 1 FKEF CCCCCCCCCCCCCCCc1cccc(OC)c1C(=O)O 43196819 AFDSGPNKWBGVCV-UHFFFAOYSA-N 362.554 7.027 30 1 FKEF biogenic CN1c2ccccc2Sc2cc(C(=O)c3ccc(N=[N+]=[N-])cc3)ccc21 64691648 IHQBRFBQUJEPQQ-UHFFFAOYSA-N 358.426 6.092 30 1 FKEF CC(C)c1ccccc1-c1ccc(-c2nc3ccncc3c(O)c2C#N)cc1 73295809 IHRMFWLLHGBPGI-UHFFFAOYSA-N 365.436 5.664 30 1 FKEF CCCCCCCCC[C@@H](O)CCCCCCCCCCCC(=O)OC 85845659 WGEMHCMSJPPUBE-JOCHJYFZSA-N 370.618 6.952 30 1 FKEF biogenic C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H](C)CCOC(C)=O 85994361 AAPGEKMDLXBUBL-CSTLSCDQSA-N 364.526 5.219 30 1 FKEF N#Cc1c(-c2c(-c3ccccc3)[nH]c3ccccc23)[nH]c(=S)[nH]c1=S 103273135 FBCMJTQJIMZSLB-UHFFFAOYSA-N 360.467 5.489 30 1 FKEF C#C[C@@H](CCCCCCC(=O)O)[C@H](C#C)C[C@@H]1O[C@@H]1CCCCCCCC 169317256 FAIJXZMKXGTJDJ-AFXVXQJMSA-N 374.565 5.819 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C#N)cc3)c(C(=O)C(F)(F)F)c2c1 587639767 CGKSOQCZGAESSZ-GFCCVEGCSA-N 370.374 5.965 30 1 FKEF CC(C)=CCC[C@](C)(/C=C/c1ccc(O)cc1)/C=C/c1ccc(C#N)cc1 653717514 FEDFGJGIUFRGOF-SWFVSBJTSA-N 357.497 6.743 30 1 FKEF CC(=O)N[C@@H](CCCC#CC=CCl)CCCC=CC=C(Cl)Cl 2356730145 KHCZTRMIJAMOLW-INIZCTEOSA-N 362.728 5.463 30 1 FKEF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)C1=C(CCCC1=O)N2 43011514 FVLQKDWADPKZFA-FQEVSTJZSA-N 356.828 5.373 30 1 FKEF COc1cc(C(=O)/C(=C/c2ccccc2)c2ccccc2)cc(OC)c1OC 45352403 OOBCBOPDVCJSEO-XSFVSMFZSA-N 374.436 5.136 30 1 FKEF CCCCC/C=C\C/C=C\CCCCCCCC(=O)C1=C(O)CCCC1=O 238758185 STXYVJQAMKHXJI-HZJYTTRNSA-N 374.565 6.934 30 1 FKEF Cc1cc(=NN=Cc2ccc(Cl)cc2)c2cc(C(F)(F)F)ccc2[nH]1 299807418 FKIBUAOCNHZRGD-UHFFFAOYSA-N 363.770 5.083 30 1 FKEF C(=NOCc1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587190254 GSRWKJFHVGJJIZ-UHFFFAOYSA-N 351.409 5.420 30 1 FKEF C=CCC[C@]1(CCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356800 RXDPCSGSPRVRBJ-IRLDBZIGSA-N 354.421 5.395 30 1 FKEF COc1ccc(-c2ccccc2/C=C2/Cc3cc(OC)ccc3C2=O)cc1 1857650429 XRCNYIUXDHNUNU-UYRXBGFRSA-N 356.421 5.193 30 1 FKEF C=CCc1ccccc1OC[C@@H](O)CN(C1CCCCC1)C1CCCCC1 4122053 MLILOCPMFGYBCX-QHCPKHFHSA-N 371.565 5.122 30 1 FKEF CCCCCC/N=C(\Nc1nccs1)Nc1cc(C)nc2ccccc12 26150779 KEROMDUYELHWLQ-UHFFFAOYSA-N 367.522 5.460 30 1 FKEF CN(C/C=C/C#CC(C)(C)C)Cc1cccc2c(Br)cccc12 26675281 DKBHDWKHHXSXLA-FNORWQNLSA-N 370.334 5.640 30 1 FKEF CC(C)CCCCCCCCCCC/C(O)=C1\C(=O)[C@@H](C)N(C)C1=O 100090381 DOKONNWENRHBTP-JLMFCZBYSA-N 351.531 5.175 30 1 FKEF in-vitro CCCCCCCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099693 SLHMPAVUVQCZCX-UHFFFAOYSA-N 357.497 6.658 30 1 FKEF Cc1ccc(Oc2ncccc2C(=O)c2coc3cc(C#N)ccc23)cc1 587278875 NFVGIIXFQQQXLM-UHFFFAOYSA-N 354.365 5.031 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(C#N)c2c1 587643525 VKFVROJNGVHDKK-GFCCVEGCSA-N 358.363 6.119 30 1 FKEF N#Cc1ccc(-c2csc(-c3ccc(-c4ccc(O)cc4)cc3)n2)cc1 587921705 SWPGAVJRQPCZMT-UHFFFAOYSA-N 354.434 5.721 30 1 FKEF CCCCCCCCn1cc(CN(CCC)CCC)c2cc(F)ccc21 1772644492 BQTNODCIFBRGJJ-UHFFFAOYSA-N 360.561 6.763 30 1 FKEF Cc1cccc(-c2nn3c(c2-c2ccc(O)cc2)[C@@H](C)C(C)(C)C3)c1C#N 1857765006 PHXSLQUXNZUSIU-OAHLLOKOSA-N 357.457 5.246 30 1 FKEF CCC=CCC=CCC=CCC=CCC=CC[C@@H]1O[C@@H]1CCC(=O)OC 2356437525 WBYKJDXNMZXEMM-FCHUYYIVSA-N 358.522 5.849 30 1 FKEF C=CC[C@@H]1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493630 FOSHWESRGNRMBT-KRWDZBQOSA-N 363.457 5.685 30 1 FKEF Cc1cc(/C=C/C(=O)/C=C/c2ccc(OC3CC3)c(C)c2)ccc1OC1CC1 28872117 RHDZDMRCKHNDIN-FCXRPNKRSA-N 374.480 5.682 30 1 FKEF CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)CC(=O)O 102239176 AMRBZKOCOOPYNY-VAWYXSNFSA-O 354.599 6.185 30 1 FKEF COc1ccc([C@H]2c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1C 963192011 PUHOPVSYXKOFON-ZCYQVOJMSA-N 368.480 5.216 30 1 FKEF COC(=O)CCCC#CC#CCCCCCCCCCCCc1ccco1 40972390 HNDNGAKJXKATIX-UHFFFAOYSA-N 370.533 6.073 30 1 FKEF biogenic CC(C)CCO/N=C(/Cc1cccnc1)c1ccc(Cl)cc1Cl 72185693 MBEWLCPCLCBJRX-PYCFMQQDSA-N 351.277 5.398 30 1 FKEF C[C@@H]1CC/C(=C\c2ccc(N(C)C)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 102981310 YMXPRDWDPVCOMZ-FDUJQBELSA-N 374.528 5.285 30 1 FKEF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118920164 VWUSEJQEGXLXIO-OCCJOITDSA-N 371.565 5.003 30 1 FKEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587191862 SPKLAJJNCUVJHL-SNVBAGLBSA-N 363.364 5.186 30 1 FKEF CCC(=O)C=C[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@H]3C(C)(C)CCC[C@]32C)O1 2356415209 DJTVQIDPSCHPOP-GXTYWJMPSA-N 362.554 5.063 30 1 FKEF CN1CCC/C1=N\CCSc1cn([C@H]2C=CCCC2)c2ccccc12 26399718 WVGKCHWUEAWVHV-SIUCFOQUSA-N 353.535 5.139 30 1 FKEF CCCCC#CCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 27748026 DVCBEVODQHDPAR-PMACEKPBSA-N 352.518 6.129 30 1 FKEF Cc1ccc(CO/N=C/c2c(C)nn(C)c2Oc2ccc(Cl)cc2)cc1 28472153 DWOOTGYYWSJKOT-WSDLNYQXSA-N 369.852 5.033 30 1 FKEF C=CCOC1=C(CCC)C(=O)S[C@@]1(C)CCCCCCCCCC 38141812 BQKAOWGHBULYNT-NRFANRHFSA-N 352.584 6.806 30 1 FKEF CCCCCCCCC(=O)c1ccc(O)c(-c2nc3ccc(C)cc3[nH]2)c1 43226667 MARGAYDBYQRWDN-UHFFFAOYSA-N 364.489 6.177 30 1 FKEF C=C[C@H](C)CC[C@H](C[C@H]1O[C@]1(C)CCCC(C)C)C(=C)CCCC(C)C 102191545 YOCDPWQZFQLBCY-KVZCNWPJSA-N 362.642 7.961 30 1 FKEF Cc1ccc(S(=O)(=O)OCC/C(=C\[Si](C)(C)C)c2ccccc2)cc1 195514704 CJQOKONQGSFPPB-KNTRCKAVSA-N 374.578 5.051 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(O)ccc1OCc1ccccc1 587901380 AINNWXHHUCXCGA-UHFFFAOYSA-N 364.828 5.033 30 1 FKEF CCCCCCCCCn1c(Cc2cccc(Cl)c2)n[nH]c1=S 299830778 ORZBBOGIVHVZHU-UHFFFAOYSA-N 351.947 5.935 30 1 FKEF FC(F)(F)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1 586900546 AUZLDCCRFZGNTL-UHFFFAOYSA-N 352.315 5.242 30 1 FKEF C=CCc1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587158118 FPUOATSOTFSJAF-UHFFFAOYSA-N 368.415 5.436 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587824634 XZIUVYSIGXHYLX-CTQRGLTFSA-N 366.318 5.330 30 1 FKEF C=C(C)[C@@H]1CCC(C)=C[C@@H]1[C@@H]1[C@H](O)C[C@H](C=CC=CC)C[C@H]1OC=CC 2356332790 JIKOATDNDJNLDZ-MRIDXKINSA-N 356.550 5.973 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCc4ccccc4)C3)CC[C@H](C)[C@]2(C)[C@@H]2[C@H]1C2(C)C 2356498188 MECWLRVJWAMIJR-RXGIAOTRSA-N 374.612 7.610 30 1 FKEF O/N=C(\NC1CCCCC1)c1ccc(Oc2ccc3ccccc3c2)nc1 72103847 XJPYXKVVADNEPT-UHFFFAOYSA-N 361.445 5.085 30 1 FKEF COc1ccc(N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 72137545 QGRMJTGMTXKMAF-BUVRLJJBSA-N 355.441 5.144 30 1 FKEF C/C(=C\c1c[nH]c2ccc(C#N)cc12)C(=O)Nc1ccc(C(C)(C)C)cc1 103271136 PTLCXMYENXFQTR-RVDMUPIBSA-N 357.457 5.379 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@H]3CC=C(C(=O)O)[C@@H](C)[C@@H]3CC[C@]12C 238756134 YGVKQUJGWNEGIG-AETMFVMQSA-N 370.577 6.789 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)Cc1cccc(O)c1 238778693 GRADGYRIHVUXAA-KTKRTIGZSA-N 372.593 7.541 30 1 FKEF N#Cc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015341 MTGOEVCJXIFTCJ-UHFFFAOYSA-N 371.252 5.532 30 1 FKEF C=C1CC(c2nc3cccc4c3c(c2CCOC)-c2ccccc2C4=O)C1 587108252 YITKMJMILFMSNP-UHFFFAOYSA-N 355.437 5.069 30 1 FKEF CCCCCCCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862190 HDJIHPXRYDNRIP-UHFFFAOYSA-N 368.399 5.578 30 1 FKEF CCc1c(C#N)c(-c2ccc(-c3ccc(Cl)cc3)cc2)c(C(=O)O)n1C 38147773 OQBPVPMUCZTJAB-UHFFFAOYSA-N 364.832 5.145 30 1 FKEF CCCCCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC 64448320 CANMFHDDABPZDR-KRWDZBQOSA-N 357.535 5.364 30 1 FKEF CCOc1cc(F)ccc1/C=C/C(=O)c1ccc2c(c1O)C=CC(C)(C)O2 95587402 SDLPGFJMUFBMIF-RMKNXTFCSA-N 368.404 5.010 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](OC(C)=O)C(=O)OC 143252075 ZYFSNOVMYLOXDZ-HXUWFJFHSA-N 356.547 5.963 30 1 FKEF C=CCc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012844 LFDXZTUWJKDWOI-UHFFFAOYSA-N 360.280 5.055 30 1 FKEF CCCc1c(O)ccc2c1O[C@](CCC#N)(c1ccc(Cl)cc1)CC2=O 587463728 XUHUDBYMPDPLOK-NRFANRHFSA-N 369.848 5.163 30 1 FKEF O/N=C(/c1ccc2c(c1)Sc1ccccc1N2)c1c[nH]c2ccccc12 653917192 ROTWYWQWYGFTKP-FLFQWRMESA-N 357.438 5.603 30 1 FKEF CC1(C)CCC[C@]2(C)[C@H]3C=C4C(=CC(=O)C(O)=C4Cl)O[C@H]3CC[C@@]12C 27656855 HXKJEPAKJQIAJD-ZGWIAZKPSA-N 362.897 5.419 30 1 FKEF C=C[C@H](C)CC[C@@H](C[C@H]1O[C@]1(C)CCC=C(C)C)C(=C)CCCC(C)C 102191521 DFYPQSCRXJHGDF-VLYJIQRVSA-N 360.626 7.881 30 1 FKEF Cc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Cl 586910433 PGMQKMRNROJKIN-OAQYLSRUSA-N 374.912 5.174 30 1 FKEF C[C@H]1CCc2sc(-c3nc4c(Br)cc(C#N)cc4[nH]3)cc2C1 587033598 KCLMSVZAPHABEA-VIFPVBQESA-N 372.291 5.050 30 1 FKEF C[C@@H](CC#N)[C@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502023 HUVDYAQENNATFA-WNSKOXEYSA-N 363.432 5.115 30 1 FKEF C=CCc1cccc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c12 587936266 KGNYYBDPIWCBFT-QFIPXVFZSA-N 354.453 5.480 30 1 FKEF N#Cc1ccc(C(=O)N2CC[C@H]3C[C@H]2c2cc(-c4ccccc4)ccc23)cc1 102877008 RCGRMQNXSSTNCO-URXFXBBRSA-N 364.448 5.300 30 3 FKEF Clc1ccc(/C=N\N/C(=N/c2ccccc2)c2ccccn2)c(Cl)c1 13138787 HMNFZOLNAVJCNT-QRVIBDJDSA-N 369.255 5.090 30 1 FKEF COc1ccc(/C=C/C(=O)c2cccc(NC(=O)Nc3ccccc3)c2)cc1 28520723 DUAMOHNLSIUAHS-NTCAYCPXSA-N 372.424 5.235 30 1 FKEF C#C[C@H](CCCCCCC(=O)O)[C@H](C#C)C[C@H]1O[C@H]1CCCCCCCC 43366134 FAIJXZMKXGTJDJ-BXXSPATCSA-N 374.565 5.819 30 1 FKEF CCCCCCCCCCCCNC(=O)c1c[nH]c(-c2ccccc2)n1 49872122 UMBXLHIBLAZUCD-UHFFFAOYSA-N 355.526 5.727 30 1 FKEF CCn1c2ccccc2c2ccnc(/C=C/C(=O)c3ccc(OC)cc3)c21 169353512 OACHWGYJJNICFC-OUKQBFOZSA-N 356.425 5.114 30 1 FKEF N#Cc1cc(Cl)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587049518 MHBMEZUILPIQIP-VHSXEESVSA-N 362.647 5.666 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(N)ccc1Oc1ccc(F)cc1 587916742 QMIYQPOTERFXGN-UHFFFAOYSA-N 367.807 5.262 30 1 FKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\CC(=O)OCC)C(=O)O 1857576158 IWADPZYDBFXVRP-OXNXFDESSA-N 362.510 5.140 30 1 FKEF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356322212 GLUQJSAOAFURSM-SDCMWZCSSA-N 370.621 7.207 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H]([C@H](C)CCC=C(C)CO)CC[C@@]3(C)C[C@H]12 2356519192 RMOFCIYZKYVKBR-WLAPLSBFSA-N 356.594 6.696 30 1 FKEF CC1(C)O[C@@H](c2ccccc2)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21 13439616 OZHKBSUTUNTRTF-QFIPXVFZSA-N 358.416 5.740 30 1 FKEF CCCCCOc1cc2ccccc2cc1[C@H](O)CC#CCCCC(=O)O 28528222 HJJUCWLDYNIYRW-OAQYLSRUSA-N 368.473 5.091 30 1 FKEF C=C[C@H](C)CC[C@H](CC[C@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191693 BZFIQKGXWZTFQC-FQUZAXHOSA-N 350.675 8.910 30 1 FKEF C=C(C/C(=C\c1ccc(F)cc1)C(=O)c1ccccc1)C(=O)c1ccccc1 103275452 FIXWSRMIFQYGEI-OQKWZONESA-N 370.423 5.921 30 1 FKEF CCCCCCCCCCCCCc1cc(O)cc(O)c1OC(C)=O 203715663 YPYWWVCPQNCAEE-UHFFFAOYSA-N 350.499 5.877 30 1 FKEF C=C[C@]1(C)CC[C@@H](C(=C)COC(=O)c2ccc(OC)cc2)C[C@H]1C(=C)C 299834653 RVKJKRIJCWTNGK-UNWVZKJWSA-N 354.490 5.593 30 1 FKEF CCCCCCCCC=CCCCCCCCCC=CCCCC(=O)O 2356599052 MCGRFMWGNMFTRZ-UHFFFAOYSA-N 364.614 8.225 30 1 FKEF C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)C2=C[C@H](OCC)[C@H]1C3 2356766683 VGANWUYGRNLAJS-WCVPNFJZSA-N 358.522 5.064 30 1 FKEF C=CCO[C@@H](CC)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 14968734 JJBGOTRJBHAAQW-QFIPXVFZSA-N 363.501 5.931 30 1 FKEF CCCCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1 49793414 HTAZDMCWIPXKAA-UHFFFAOYSA-N 372.516 5.728 30 1 FKEF CCCCCCCCn1c(-c2cccc(Br)c2)cnc1N 66111841 CAIYMCQMASQNDV-UHFFFAOYSA-N 350.304 5.255 30 1 FKEF CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCO)CC2)cc1 101460528 NTNMKHVTKXMICS-PSWAGMNNSA-N 360.606 5.685 30 1 FKEF CCCSC1=C2CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O 253637775 KECSLKZJFNOOFU-ZRZIHDEQSA-N 360.563 5.558 30 1 FKEF C=CCc1cccc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c12 587936265 KGNYYBDPIWCBFT-JOCHJYFZSA-N 354.453 5.480 30 1 FKEF CC(=O)O[C@]1(C)CCCC(C)=CCC[C@]2(C)O[C@H]2C(=O)C(=C(C)C)CC1 2356532610 QRIAHPSWAQTBHB-BDTNDASRSA-N 362.510 5.062 30 1 FKEF CCCCCCC=CCCCCCCCc1cc(O)cc(O)c1C(=O)O 2356544710 ACSAQPSTIMIXGH-UHFFFAOYSA-N 362.510 6.206 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(/C=C/C=C/C(=O)O)CCC[C@@]23C)C1 3981143 KNBVTHPKILKUNJ-UERULONYSA-N 354.534 6.319 30 1 FKEF COc1ccc(/C=C/C(=O)c2cccc(-c3cccc(F)c3)c2)cc1OC 73197519 ZGMVZUWROYNMCN-PKNBQFBNSA-N 362.400 5.406 30 1 FKEF C=C1C=C2[C@@](C)([C@@H](C)CC[C@]23CCC2(CCCC2)[C@@H]3CO)[C@H]2[C@@H]1C2(C)C 85545203 QWZTZQHELWPSSF-PRUFAUKASA-N 354.578 6.140 30 1 FKEF biogenic,in-vitro CCCC/C=C\CCCCCCCCCC1=C(O)C(O)=C(C)C(=O)C1=O 101169357 UEZGMALXRUXECF-SREVYHEPSA-N 362.510 6.040 30 1 FKEF COc1ccc2c(c1)C=C(/C=C/C(=O)c1ccc(Cl)c(Cl)c1)CO2 299823266 FKUFMBXDXFZREB-QHHAFSJGSA-N 361.224 5.217 30 1 FKEF CCC(CC)n1ccnc1/C=C/C(=O)/C=C/c1nccn1C(CC)CC 473122287 RLMGRSIDHSXPAL-WGDLNXRISA-N 354.498 5.098 30 1 FKEF CCCCCCCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587207186 JNPYLPURYWQJNM-UHFFFAOYSA-N 371.524 7.129 30 1 FKEF CCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352423 JEDYLIMEGFITHF-GGAORHGYSA-N 370.464 6.009 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(N(C(C)C)C(C)C)cc1OC 587899927 HJWMHNADFFEGRD-UHFFFAOYSA-N 371.908 5.380 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(CNC2CCCCC2)c1F 587917033 XPRZPFOCHPCNJO-UHFFFAOYSA-N 371.883 5.310 30 1 FKEF C=CCCCCC=CC#CCCCCCCCC[C@@H]1C[C@H](CO)OC1=O 2356417132 RNDRAGJYHLXUOB-FGZHOGPDSA-N 360.538 5.337 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1c1c(O)cc(C=Cc2ccccc2O)cc1O 2356646145 QZIGMIOMEWTNCH-VDGAXYAQSA-N 364.485 6.070 30 1 FKEF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2C[C@@H]3O[C@]3(C)C[C@@H]2[C@@H]2O[C@]21C 2356717325 OVEGDGKHYKKMJM-WJFBPCHCSA-N 370.533 5.021 30 1 FKEF CCCCCCCCCCCC[n+]1ccc(-c2cc[n+](CC)cc2)cc1 84652869 GMMPCNBXCDWHLO-UHFFFAOYSA-N 354.582 5.869 30 1 FKEF C=CC/C=C/C/C=C/CCCCCCCC1=C(O)C(=O)C=C(OCC)C1=O 85610553 TZHMUUDTNYTFMW-AVQMFFATSA-N 372.505 5.680 30 1 FKEF endogenous,in-man C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@H](O)[C@H]4/C(C)=C/C[C@H]3[C@H]12 169290628 SASNKCWSBOFUJF-DHNOFYJESA-N 356.594 6.385 30 1 FKEF C(=C/c1ccco1)\C=N\N=c1\scc(-c2ccccc2)n1-c1ccccc1 169326023 AZPYDAHVVVGNFC-KYTIMSIRSA-N 371.465 5.399 30 1 FKEF C[C@@]1(c2ccc(N=[N+]=[N-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576977 QMRKNIIAOQWRST-NQIIRXRSSA-N 373.368 5.211 30 1 FKEF COc1ccc(Cl)cc1C#CCc1c(-c2ccc(Cl)cc2)noc1C 587898611 NOUIMMSNZWYECH-UHFFFAOYSA-N 372.251 5.560 30 1 FKEF CCCOc1nc(Nc2ccc(Cl)cc2)nc(-c2ccccc2)c1C#N 95586240 ANKAWTPKGUYFEM-UHFFFAOYSA-N 364.836 5.201 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](C)CCCCCCCC 138477155 NWCZRGQLDBQIFH-SANMLTNESA-N 366.718 10.245 30 1 FKEF CC(=O)/C(C)=C/C=C/C=C\C=C\C=C\C=C\C=C\C=C/C=C/CC(=O)O 299820829 IBLDYSXJOJRXMO-HOINRVFXSA-N 350.458 5.446 30 1 FKEF CCCCCCCCC[C@H](C)C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527793 WPAGUMYGNGMGOQ-PZJWPPBQSA-N 370.577 7.066 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(/C=C/C(=O)C(C)(C)C)s1 587921146 VFDNPLPFMBHUIP-ZRDIBKRKSA-N 358.890 5.438 30 1 FKEF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc(C#N)c2)(C2CCCC2)N1 962961376 WWZRGEHTASXPSO-NBGIEHNGSA-N 369.512 5.398 30 1 FKEF N#Cc1c(-c2ccccc2)[nH]c2nnc(-c3ccccc3)c-2c1-c1ccccc1 1772587308 JSEOSZLJTFXWSV-UHFFFAOYSA-N 372.431 5.782 30 1 FKEF Fc1ccc(Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1 1857570110 DZPUDHUJTJNHDW-UHFFFAOYSA-N 374.259 6.155 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCCO)C3)C[C@H](CCO)[C@H](C)[C@]2(C)[C@H]2[C@H]1C2(C)C 2356367082 WBGLQINEGPNURX-PPGBDMEFSA-N 372.593 5.359 30 1 FKEF CCCCCCCCC=CCCCCCC[C@H](C(=O)OC)[C@H](O)C(C)=O 2356494088 RKVXHJRCUIJAHS-LEWJYISDSA-N 368.558 5.373 30 1 FKEF CC=C1[C@@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356553767 KQTRIZLQZKQLOA-RDWQTBIRSA-N 356.506 5.006 30 1 FKEF CC[C@H](C)C[C@H](C)C[C@H](C)C=C(C)C1=C(C)C(=O)[C@](C)(OC(C)=O)O1 2356806361 VSGNCAUKXNGOCW-BOLFOIPXSA-N 350.499 5.184 30 1 FKEF CCCCCCCCCCCCCCCCOc1cc(O)ccc1C=O 2382217468 KTQPFHFMLCZXIG-UHFFFAOYSA-N 362.554 7.065 30 1 FKEF Cc1ccc(F)cc1NC(=O)C(CC(C)(C)C)(C(F)(F)F)C(F)(F)F 68574832 RWDKILUZQJFJIF-UHFFFAOYSA-N 373.312 5.620 30 1 FKEF biogenic COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)c2ncccc12 587914558 JKZGRNYGIUNXEP-UHFFFAOYSA-N 361.750 5.315 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(F)cc2N)cc1 587916258 GCPNYDUQAODRBE-UHFFFAOYSA-N 367.807 5.262 30 1 FKEF COc1ccc(C(=O)/C=C/C2=Cc3c(ccc4ccccc34)OC2)cc1OC 1857566115 LPNQTGWULYYRHC-JXMROGBWSA-N 372.420 5.072 30 1 FKEF COC1=C(C)C(=O)[C@]2(CC(CCC=C(C)C)=CC[C@H]2C(C)C)C(=O)C1(C)C 1857647064 YLLJLJGJAVHFKG-YADARESESA-N 372.549 5.810 30 1 FKEF C[C@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356528850 KLZYXWJPRWEJSX-MYDAXSSOSA-N 370.533 5.411 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@]3(C[C@]12C)[C@H](C)CC[C@@H]1C(C)(C)C(=O)CC[C@]13C 2356631489 DPFQPNJTINPILZ-WSQZCODQSA-N 370.533 5.396 30 1 FKEF C=Cc1ccc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2c1 14945498 REXFNTVHFJYCGU-UHFFFAOYSA-N 370.239 5.808 30 1 FKEF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)C1=C(C[C@@H](C)CC1=O)N2 43019122 SAUARPVLHFQDKM-GTJPDFRWSA-N 370.855 5.619 30 1 FKEF CCCCCCCCn1cc(CC(N)=O)c2cc(-c3ccccc3)ccc21 64540584 ZCFSXENMRFRDAC-UHFFFAOYSA-N 362.517 5.697 30 1 FKEF CCCCCCCCn1c2ccccc2c2ccc(OCCC(=O)O)cc21 72112542 AKIKTRPNRVIETL-UHFFFAOYSA-N 367.489 6.009 30 1 FKEF CCCCCCCCCCCCCCCCCC[C@@H](C)C[C@@H](C)C(=O)O 85642715 QYNTVLCDAYKUMH-DHIUTWEWSA-N 368.646 8.385 30 1 FKEF biogenic C=CC(C)(C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587954278 MTBNBVOAZULREH-UHFFFAOYSA-N 373.378 5.298 30 1 FKEF C=C(C)[C@@H]1C[C@]2(C)C(=CC1=O)C=C[C@H](OC(=O)C=CC=C[C@@H](C)CC)[C@@H]2C 2356764438 ICTLXILJPBBAPB-FQHLMHNGSA-N 368.517 5.360 30 1 FKEF C=CCC[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470823 HCASQQRVVZESNK-FQEVSTJZSA-N 361.485 6.369 30 1 FKEF CCCCCCCN(Cc1ccco1)C(=O)Nc1cc(C)c(C)cc1C 43273881 VHBGKYDQGUUVEK-UHFFFAOYSA-N 356.510 6.209 30 1 FKEF N#CCCc1ccc(OCc2cc(-c3ccccc3)c3ncccc3c2)cc1 58583383 LWYVEWRKCBNCFJ-UHFFFAOYSA-N 364.448 5.937 30 1 FKEF COc1cccc2c1OC/C(=C\c1ccc3oc4ccccc4c3c1)C2=O 95563479 VLHFRHNXGQECDM-RVDMUPIBSA-N 356.377 5.253 30 1 FKEF CCCCCCCCCCCCCC(CC(CC)CC)CC(CC)CC 100304540 MFLJAIATZVGFPM-UHFFFAOYSA-N 366.718 9.956 30 1 FKEF biogenic COc1ccc(Cl)cc1C#Cc1ccc2nc(C(F)(F)F)ccc2c1 587915064 RGFBOSAHTJXKFM-UHFFFAOYSA-N 361.750 5.315 30 1 FKEF N#CCCCC[C@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963103819 ODBFYAKGOQWVID-GMAHTHKFSA-N 366.455 5.313 30 1 FKEF C=C[C@]1(C)CC2=C(O)C(=C)[C@]34O[C@]3(CCCC4(C)C)[C@]2(C)[C@H](OC(C)=O)C1 2356341918 ZVOGIZLWXKVJFR-LDBVRRDLSA-N 372.505 5.010 30 1 FKEF C#CCOc1cccc2c1-c1ccc3c(c1[C@@H](CC=C)O2)C(C)=CC(C)(C)N3 13493600 SNHVWFHHKLONNR-HXUWFJFHSA-N 371.480 5.983 30 1 FKEF C=C[C@@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(C(=O)n4ccnc4)CCC[C@@]23C)C1 27105569 YYUULFLSFQSOPB-AYJKSNPGSA-N 352.522 5.659 30 1 FKEF CCCCCCCN[P@@](=O)(OCC)Oc1ccc(C(F)(F)F)cc1 102063932 UZIQZTWLNVWDLX-XMMPIXPASA-N 367.348 5.789 30 1 FKEF CCCCCCCCCCCCCCC/C=C/C=C/C(=O)N1CCCC1 135704268 RIDFJCCEYZWOSP-RAISGICESA-N 361.614 7.203 30 1 FKEF CCOc1ccccc1C(=O)/C=C/c1c2ccccc2cc2ccccc12 169463930 YBMIBUFVHSLCNZ-FOCLMDBBSA-N 352.433 6.288 30 1 FKEF C=C[C@]1(CCCCC)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962964322 ZZTAAZPYYNQULO-HXUWFJFHSA-N 367.455 5.318 30 1 FKEF COc1ccc2ccccc2c1/C=N\Nc1ccnc2cc(Cl)ccc12 5570224 LXQYHTGCRFDWNE-CFRMEGHHSA-N 361.832 5.496 30 1 FKEF C/N=C1\Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1c1cccs1 40411656 FNPOKSXSTSXKHN-IBGZPJMESA-N 365.889 5.434 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)CCCCCCCC 141911063 VXRFPDMWTMZEPM-UHFFFAOYSA-N 366.674 9.178 30 1 FKEF Fc1ccc(/N=N/Nc2ccc(F)c(C(F)(F)F)c2)cc1C(F)(F)F 169312069 PTTQMDKBXWVIDE-UHFFFAOYSA-N 369.215 6.113 30 1 FKEF CC(C)(C)[C@H](CCc1ccc(/C=C/c2ccccc2)cc1)OS(C)(=O)=O 299830824 PMPTWNKLAJIRNJ-ZJVMWOEPSA-N 372.530 5.181 30 1 FKEF CCCCCC/C=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813144 BHRYTPJTMXDTMR-YRISJXQJSA-N 368.334 5.864 30 1 FKEF CCCCCCCCn1cc(CN2CCC(=O)CC2)c2ccc(OC)cc21 1857628962 SRDFQRPAPGCMTO-UHFFFAOYSA-N 370.537 5.175 30 1 FKEF N#Cc1c(NC(=O)c2ccc(F)c3ccccc23)sc2c1CCCC2 28821917 WTBQHGKQMCKGNX-UHFFFAOYSA-N 350.418 5.043 30 1 FKEF CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)c1coc2cc(C#N)ccc12 587279038 YSAJNFADWITLOF-INIZCTEOSA-N 374.223 5.652 30 1 FKEF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC#N)c1ccc(C(F)(F)F)cc1 963242397 PQUMLVSQYWXNFX-IERDGZPVSA-N 372.434 5.519 30 1 FKEF C=CCc1ccc(O)c(-c2ccc(OCc3ccccc3)c(CC=C)c2)c1 1911574323 SYJMCHDMZSPKHR-UHFFFAOYSA-N 356.465 6.095 30 1 FKEF CCCCCCC=CCCCCC[C@H](CCc1ccccc1)CC(=O)O 2356357944 VYIHKHZAGKEFGR-HSZRJFAPSA-N 358.566 7.187 30 1 FKEF C=C(C1CCCCC1)[C@@H]1CC[C@](O)(C2CCCCC2)[C@@H]2CC[C@](C)(O)[C@@H]2C1 2356614376 RGCHPGQIPMHSNM-HFDWIEFGSA-N 374.609 6.012 30 1 FKEF Cc1cc(/N=C(/Nc2ccccc2)NC2CCCCC2)c2ccccc2n1 1841784 LCDXWTNJOFQYLS-UHFFFAOYSA-N 358.489 5.565 30 1 FKEF C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2CCCC 71329409 UHJQIXQKAMXPDZ-RSXGOPAZSA-N 350.590 8.347 30 1 FKEF CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1ccc(C)cc1)N[C@@H]2c1ccc(C)cc1 169336606 SYTQKDUUDPBAEW-PGVPCHRCSA-N 362.517 5.498 30 1 FKEF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C3(F)CCCCC3)nc2c1 587131853 VNWJBMDWGSOUJV-UHFFFAOYSA-N 354.269 5.729 30 1 FKEF N#CCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515704 OSJGVPLFQDSCKF-QHCPKHFHSA-N 370.452 5.140 30 1 FKEF CCCCCCCCCC/C=C/c1ccc(CO[C@H]2CN[C@H](CO)C2)cc1 1857580911 ODWLIKOGNQYRDY-ZIXMJRCYSA-N 373.581 5.470 30 1 FKEF C=CC(C)(C)c1[nH]c2cccc3c2c1[C@H]1[C@H](CC[C@](C)(C=C)[C@H]1C#N)C3(C)C 2356332541 FVLJNWUXPRLMPE-HJXOOYGYSA-N 372.556 6.748 30 1 FKEF C=CC[C@@H](O)[C@H](C)CCCC(C)=CCC(=CCl)Cc1ccc(O)cc1 2356797678 OHHGQMCXEQGHPS-XMSQKQJNSA-N 362.941 6.137 30 1 FKEF C=C(C)CCC[C@]1(C)C2=CCC[C@](C)(C[C@@H](O)c3ccoc3)[C@H]2CC[C@H]1C 28826882 PVUVESDYYAEGPI-LWYJXHBNSA-N 370.577 7.228 30 1 FKEF CCCCCCCCCCCCCCc1nc(N(C)C)nc(OC)c1O 96921436 GTCCVXNCUHRFMZ-UHFFFAOYSA-N 365.562 5.500 30 1 FKEF C=C1C[C@]2(CCC3(CCCC3)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@H]1CC2(C)C 2356439136 FWAMSOSQRBOWJG-DXBALXSTSA-N 354.578 6.667 30 1 FKEF C=CCn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccccc2)n2ccnc2)c1 28472022 YPDXECRNRFNNQV-QHCPKHFHSA-N 373.887 5.829 30 1 FKEF CCCCCCCCC/C(C)=C\C(=O)NCCc1c[nH]c2ccccc12 42805461 OJKZELGKDKBJTP-ZPHPHTNESA-N 354.538 5.914 30 1 FKEF CCCCCCCCCCCc1ncc(CNc2ccc(C(=O)O)cc2)[nH]1 42990004 XCQRFNYVNRHNKN-UHFFFAOYSA-N 371.525 5.793 30 1 FKEF CCCCCCCCCCCCCCCCC[C@@H](C)C(=O)CCCCC 238773799 YXTMOGKDCHGEMG-XMMPIXPASA-N 366.674 9.033 30 1 FKEF CCCCCCCCOC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253634342 MPVLPIQMXJGQFG-YOKCZPEMSA-N 366.542 5.358 30 1 FKEF CCCCCCCCCCCCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587405566 MBDKTNUPNMNZMW-HXUWFJFHSA-N 373.581 7.002 30 1 FKEF CC(C)(C)c1ccc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507750 SEDVXVMHEHSSAB-VWLOTQADSA-N 373.496 5.637 30 1 FKEF CCCCCCCCc1nc2nc(O)nc(O)c2cc1CCCCCCC 587562128 YVJXCMKPRFUQSQ-UHFFFAOYSA-N 373.541 5.852 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(N4CCCCC4)cc3)c(C#N)c2c1 587643381 DVWIEDCJOWZITD-KRWDZBQOSA-N 357.501 6.210 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1c(O)c(O)cc2ncoc12 2356418031 VRCMSDQYPBPHCD-GCPVUHDESA-N 355.478 5.580 30 1 FKEF N#CCC[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49015659 PLHSBHYVGMRRQD-OAQYLSRUSA-N 367.880 5.209 30 1 FKEF N#Cc1ccc2c(c1)CCCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587507011 PXQKZYHUDHOPDD-DEOSSOPVSA-N 357.453 5.024 30 1 FKEF CC(C)c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587875486 VNEFWIRJHMFPFC-UHFFFAOYSA-N 374.311 5.022 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCNC(=O)NCC(=O)O 1857641501 KOIPDDNLMSHVLR-KTKRTIGZSA-N 368.562 5.408 30 1 FKEF C(=Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1c2ccccc2-c2ncccc21 2356309699 FTWGTGMBYKNUIF-RUZDIDTESA-N 358.444 6.168 30 1 FKEF CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@]5(CO5)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 2356579788 DWXSJAAPPYYVFJ-IEWKSLTOSA-N 360.582 5.575 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC=C(C)CCC=C(C)CCC=C(C)C[C@@H]1OC 2356748434 FGDIMNAMJBFDNJ-UIOOFZCWSA-N 370.621 8.113 30 1 FKEF CCS/C(=N\Cc1ccco1)N(Cc1ccccc1)Cc1ccccc1 5875061 SFEUXOICZSVJMM-FCQUAONHSA-N 364.514 5.591 30 1 FKEF C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1COC(C(C)(C)C)=N1)OC 13473243 TUAZPCDHSQTVIV-WURYWLRBSA-N 359.554 6.040 30 1 FKEF CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C 36126871 DDQBFKNOKOZBQK-YGOYIFOWSA-N 357.582 6.057 30 1 FKEF CCCCCCCCCN1CCC(C(=O)CC)(c2cccc(O)c2)CC1 43300295 WNRHDBRHLDZKPI-UHFFFAOYSA-N 359.554 5.456 30 1 FKEF CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O 43888679 LSBFBSAKJORSIS-UHFFFAOYSA-N 360.501 5.938 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(OC(F)(F)F)cc1C 587915282 UQSPFXKSQHNPND-UHFFFAOYSA-N 354.755 5.150 30 1 FKEF CCCCCCCCCCCC[C@@H]1C[C@@H]1CCC[C@H](O)C#CC#CCO 2356432703 JOHTYJMIIFZAKY-TZRRMPRUSA-N 360.582 5.464 30 1 FKEF CCCCCCC=CCCCCCCCCCCCc1ccc(C=O)[nH]1 2356539443 OMKQIWCCJALUKL-UHFFFAOYSA-N 359.598 7.797 30 1 FKEF CC(C)=CCc1c(O)c(C(=O)/C=C/c2ccccc2)cc2c1OC(C)(C)C=C2 14713404 UKLAAWWFUMSUTQ-ACCUITESSA-N 374.480 5.981 30 1 FKEF CCCCCCCCCCCCCC[P@@](=O)(O)OCc1ccccc1 43100187 QOGFGOJVUVSJLV-UHFFFAOYSA-N 368.498 7.090 30 1 FKEF N#Cc1cccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 587503817 IMPGSKDPRJTAAG-QHCPKHFHSA-N 369.420 5.404 30 1 FKEF CC1=C[C@H](C)C[C@H](C)CCC[C@H]2C=C(C)[C@H](C)C[C@@]23OC(=O)C(=C1O)C3=O 2356342785 GNFFKZIDPGAGMZ-MEQWONMLSA-N 372.505 5.058 30 1 FKEF CCCCCCCCCCCCCCCC=C1C(=O)O[C@H](OC)[C@H]1O 2356441374 PDYYNJRNSPYYHH-FPOVZHCZSA-N 354.531 5.284 30 1 FKEF CCCC/C=C\C/C=C\C/C=C\CCC1=C[C@@](OC)(OC(C)=O)CC1=O 13304912 RKFHNCDDZZBUNK-NEMYPVLOSA-N 360.494 5.211 30 1 FKEF CCCCCCCCCCN1CCC[C@]2(C1)O[C@H](OC)Cc1ccccc12 49679451 RCGSRJRQRQQHKG-BJKOFHAPSA-N 373.581 5.664 30 1 FKEF Cc1ccc2c3c(cc(/C=N/Nc4ccccc4)nc13)-c1ccccc1C2=O 586997466 SBFHXPPYTZEDQZ-AFUMVMLFSA-N 363.420 5.201 30 1 FKEF N#Cc1nc(Cl)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587082686 BFNYJWQTBLMDMF-UHFFFAOYSA-N 374.618 5.005 30 1 FKEF CCCCC#Cc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587476789 BIGFWEYLPYJVJC-HSZRJFAPSA-N 362.469 5.593 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)c(C#N)c2c1 587644500 XWJYGAXRLZACQC-MRXNPFEDSA-N 359.473 5.057 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1Oc1ccc(F)cc1N 587916026 ANUPRACKSUFACG-UHFFFAOYSA-N 367.807 5.262 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]4C=C(O)C=C[C@H]43)s2)s1 2356360798 OHGVJNOZZQEQSA-IAOVAPTHSA-N 366.507 5.685 30 1 FKEF CCCCCCCCCCCCCCC(=O)c1cc(O)c(O)c(O)c1 44387933 HABGUUCGLYNFMM-UHFFFAOYSA-N 350.499 6.077 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc12 586881105 UFXYVKBQWIIBMC-UHFFFAOYSA-N 368.436 5.632 30 1 FKEF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3ccc([C@H](C)CC)cc3c2C#N)c1C 587644142 NYKQZXKLYZPCQR-GFCCVEGCSA-N 363.461 5.342 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(OC(C)C)c(OC)c1 587903689 MURCIUXPRVMKMI-UHFFFAOYSA-N 365.256 5.198 30 1 FKEF C=CCOc1c(OC)cc(CC=C)cc1Oc1ccc(CC=C)cc1OC 1857564591 UNJMUQXUKQIYER-UHFFFAOYSA-N 366.457 5.518 30 1 FKEF CCCCCCCCCCCCC[C@@H]1CCC[C@H](CC[P@](C)(=O)O)N1 36178427 CDEPDWBJGIUHRS-NHCUHLMSSA-N 373.562 6.489 30 1 FKEF C=C[C@H](/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 44018453 QIWFBWCTOKXYBB-ABZNLYFFSA-N 357.202 6.995 30 1 FKEF CCCCCCCCCCCCCCCCCCC(=O)CCC(=O)O 59545330 HZKNWRQSWZMFSK-UHFFFAOYSA-N 354.575 7.072 30 1 FKEF C=C(C)COc1cc(N(CC)c2ccc(C(=O)O)cn2)ccc1C(C)C 66104932 LHTMWLGZSLLTJO-UHFFFAOYSA-N 354.450 5.016 30 1 FKEF CCCCCCCCC#CCCCCCCCCC[C@H](O)C#CC#CCO 86040218 NAFRNAIZQXKTNS-VWLOTQADSA-N 372.593 5.611 30 1 FKEF biogenic Cc1cc(F)ccc1SC/C(=N\O)c1cc(Cl)sc1Cl 95574637 BBZOMTAYAZFTSR-LICLKQGHSA-N 350.267 5.473 30 1 FKEF CCCCCCCCC[C@H](C)CCC/C(O)=C1\C(=O)[C@@H](C)N(C)C1=O 100090421 WGGHNDTUKMWTHN-POSVEHLBSA-N 351.531 5.175 30 1 FKEF in-vitro O=C(/C=C/c1ccc(Cl)cc1)/C=C/c1ccccc1OCc1ccccc1 169322168 OBJUDNGWSAMXDB-UNZYHPAISA-N 374.867 6.215 30 1 FKEF CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)C=Cc3ccccc3)c2O)O1 2356680888 XKBWBVSFQXIHLM-RUZDIDTESA-N 374.480 6.199 30 1 FKEF C=CCn1c(O)c(/N=N/C(=S)Nc2cccc(C)c2)c2ccccc21 101472087 AEOCCSKJQVZLNC-QURGRASLSA-N 350.447 5.322 30 1 FKEF CCCCOc1ccc2cc(C#Cc3cc(Cl)ccc3OC)ccc2c1 587907835 QSKPBWJYISESBF-UHFFFAOYSA-N 364.872 6.081 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@@H]1OC(=O)C3=C(C)OC(C)(C)[C@@H]4CC[C@]12[C@@H]34 2356460317 QATHFSXCKTWEAB-YEKPRJOZSA-N 368.517 5.330 30 1 FKEF CC(=O)OCC[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356506329 ALTBXZDGDFVFGO-CRENSUHQSA-N 358.522 5.088 30 1 FKEF C[C@@H]1c2c([nH]c3ccccc23)C2=C(CC(C)(C)CC2=O)N1Nc1ccccc1 2356825651 HTKMUVPMTYUHKN-OAHLLOKOSA-N 371.484 5.672 30 1 FKEF CCCCCCCCOc1ccc2c3ccnc(C)c3n(CCCC)c2c1 95593685 JCNDCICWEXUWLG-UHFFFAOYSA-N 366.549 7.037 30 1 FKEF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(C#N)c1C 96283503 WZUXSBMNGNCRPQ-UHFFFAOYSA-N 364.452 5.344 30 1 FKEF CCCCCCC/C=C\CCCCC1=C(C)N(C(=O)C(F)(F)F)CC1 238753919 RWTHTFNLYIDWAH-KTKRTIGZSA-N 359.476 6.532 30 1 FKEF C/C=C1/C(=O)C[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)C=C[C@@]45C[C@@]35CC[C@]12C 255217499 HKEBEMMDBQANKW-RCLCZKCUSA-N 367.577 5.299 30 1 FKEF CCCCCCCCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099232 CXHSBLYRGMGKRN-UHFFFAOYSA-N 371.524 6.966 30 1 FKEF CCCCCC/C=C/CCCCCCCC(=O)c1coc2ccccc12 587280711 UKJYIRYWFUPSDO-BQYQJAHWSA-N 354.534 7.873 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC([C@@]34C=C[C@@H]5CC[C@H](CC3)[C@@]5(C)N4)=CC(C)=C2C1 2356369413 FNBQIAPRYNPZHU-MJJKVRCYSA-N 363.589 6.492 30 1 FKEF CCCCCCCCCCCCCCc1c(CC)[nH]c(=S)[nH]c1=O 14140037 OHHXAUDEKUJJIA-UHFFFAOYSA-N 352.588 6.238 30 1 FKEF COc1cc2c(cc1OC)C(=O)/C(=C/c1cc(Cl)cc(Cl)c1)CC2 27551752 SJQYXWFGYGFYNQ-WLRTZDKTSA-N 363.240 5.223 30 1 FKEF CCCCCCCCCCCCC[C@H]1CCC[C@@H](CC[P@](C)(=O)O)N1 36178441 CDEPDWBJGIUHRS-SFTDATJTSA-N 373.562 6.489 30 1 FKEF CCCCCCC[C@@](C)(CCCCC)OC(=O)c1cnc(Cl)cn1 43352421 NMOHGELNHONNKK-LJQANCHMSA-N 354.922 5.986 30 1 FKEF CCCCCCCSc1nc2c(C(=O)OCC)ncn2c2ccccc12 73336145 IISXBSPAITYLJK-UHFFFAOYSA-N 371.506 5.122 30 1 FKEF CCCCCCCCCCCCCCC[C@H](CN(O)N=O)OC(C)=O 85801266 SUVLOWSQMCBBFJ-LJQANCHMSA-N 358.523 5.772 30 1 FKEF biogenic CCCCCCCC/C=C\CCCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O 85966396 SNHBFKBOZVBFIT-JMDKKPKDSA-N 366.586 6.336 30 1 FKEF C=C[C@H](C)CC[C@@H](C[C@H]1O[C@]1(C)CCCC(C)C)C(=C)CCCC(C)C 102191541 YOCDPWQZFQLBCY-VLYJIQRVSA-N 362.642 7.961 30 1 FKEF CCCCCCCO/N=C1/CCCCCCCCCCC(=O)NCCC1 103168223 CCVNIFKQLZTYQQ-FLFQWRMESA-N 366.590 6.140 30 1 FKEF C=C(C/C(=C\c1ccccc1F)C(=O)c1ccccc1)C(=O)c1ccccc1 103275462 ZNEZVNFFIQVYRB-OQKWZONESA-N 370.423 5.921 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc(/C=C/c3ccc(F)cc3)cc2)cc1 103297766 WTMBLYSTRMRUDN-CUQLSPFUSA-N 358.412 5.901 30 1 FKEF CCCCCCCCCCCCCC[C@H]1C(=O)O[C@H](C)[C@H]1OC(C)=O 166247883 GOOFLQFKCQQJMT-MISYRCLQSA-N 354.531 5.571 30 1 FKEF CCCCC=CC(=O)CCCCCCc1cc(=O)c2ccccc2n1C 2356375955 JWPLBVCOLJAXIC-UHFFFAOYSA-N 353.506 5.347 30 1 FKEF CCCCN1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23 13645709 SMUUXXZUMHWSII-UHFFFAOYSA-N 364.880 5.022 30 1 FKEF CCCCC/C=C\CCCCCCCCCCCCCCCCCC=O 14638855 QGJGFYKELVSIGY-SREVYHEPSA-N 364.658 8.954 30 1 FKEF O=C(/C=C/c1ccccc1C(F)(F)F)/C=C/c1ccccc1C(F)(F)F 40918604 AHFYKCFTMFLKND-WGDLNXRISA-N 370.292 6.020 30 1 FKEF N#Cc1c(O)nc(SCc2ccccc2-c2ccccc2)c2c1CCCC2 73129776 APDWIRXKTIBTLK-UHFFFAOYSA-N 372.493 5.497 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](COC[C@H](O)CO)OC 198795242 DPLMMFFVWYNFQS-FGZHOGPDSA-N 374.606 5.243 30 1 FKEF CCCCCCCCCCCCC/C=C/CCC(=O)N[C@H](CO)COC 205688246 IAONXYMLFOCVGA-UFBKIKKCSA-N 369.590 5.147 30 1 FKEF C=C[C@@H](c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 299825656 ZOHOTHWMIQFAAD-KRWDZBQOSA-N 370.404 5.189 30 1 FKEF CCCCCCCOc1cccc([C@@H]2NCCc3c2sc(C)c3C)c1 963005200 DOEHQWQJONWXRG-NRFANRHFSA-N 357.563 5.949 30 1 FKEF CCCc1cc2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1 1772611333 RGTRCARSZFHHBX-UHFFFAOYSA-N 350.465 6.181 30 1 FKEF CCCCCCC=CCCCC[C@H](CCN)C1(CC(=O)O)CCCC1 2356305577 OJXDYMBOPUDWKQ-HXUWFJFHSA-N 351.575 6.074 30 1 FKEF CC(C)=N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C=N[C@H](C)[C@@H]2CC[C@@H]34)C1 2356542742 DRZFZXHDHUZWHI-WEULTXSKSA-N 352.566 5.868 30 1 FKEF CCCCCCCC=CCCCCCCCCCCCCCC(=O)O 2356579229 VAZJHGPTEDCROE-UHFFFAOYSA-N 352.603 8.059 30 1 FKEF CC[P+](CC)(CC)CC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 13651936 LVTLZIONBOXKSP-OAQYLSRUSA-O 351.491 5.869 30 1 FKEF CCCCCCCCCCCCCCCC(=O)NCC[n+]1ccccc1 43379959 ZZGVOIJGUGCCGF-UHFFFAOYSA-O 361.594 5.572 30 1 FKEF CCC/C=C/CCCCCCCCCCCCCCCCCCCC 62233964 GZFXNQWFSFSWMF-VQHVLOKHSA-N 350.675 9.775 30 1 FKEF in-vitro C[n+]1cccc(N(CCCCCC2CCCCC2)c2ccccc2C#N)c1 66058770 VYQVPQJPEMTMQB-UHFFFAOYSA-N 362.541 5.662 30 1 FKEF C=CCOc1ccccc1[C@H](Nc1cccc(F)c1)[C@@H]1CCCCC1=O 66251566 HOAZRCMWCFNOPE-XMSQKQJNSA-N 353.437 5.303 30 1 FKEF CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=N\NC(N)=S)C(C)(C)CCC1 169355488 JQKGIPVMXHVEOF-YPOPGSPVSA-N 357.567 5.337 30 1 FKEF N#Cc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1C(F)(F)F 587152968 UAWFVWPMMFAHFL-GHMZBOCLSA-N 363.289 5.003 30 1 FKEF CCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603502 PQKSOSCNGCCGCU-CTNGQTDRSA-N 368.473 5.863 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)c(Cl)cc1Br 587915141 JINFKMIHIGJGQM-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(OCc2ccc(F)cc2)c1 587916931 TZFFGRLKNRMTQW-UHFFFAOYSA-N 366.819 5.467 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1-c1ccc(C=O)s1 587920262 BQCHHZKQWXFYNW-UHFFFAOYSA-N 352.842 5.289 30 1 FKEF N#Cc1ccccc1-c1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)o1 963101566 DLCMDBBWYMMNOJ-JPYJTQIMSA-N 358.416 5.067 30 1 FKEF CCC(=O)C=C[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@H]3C(C)(C)CCC[C@@]32C)O1 2356415212 DJTVQIDPSCHPOP-YNJZVGQKSA-N 362.554 5.063 30 1 FKEF CCCCCCCCCC=CCCCCCCCCc1ccc(C=O)[nH]1 2356807368 WHJWINOQDQFSNH-UHFFFAOYSA-N 359.598 7.797 30 1 FKEF C=C1[C@H](C)CCC[C@@]1(C)CC[C@]1(C)C=Cc2c(O)c(O)cc(OC)c2O1 14589313 WMSMWNWYHIYDCT-GBSMKCJWSA-N 358.478 5.433 30 1 FKEF biogenic COc1cccc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 26721422 GBWNZODDBBIQEF-UHFFFAOYSA-N 367.408 5.651 30 1 FKEF Cc1c(Cl)ccc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c12 587230009 DMTNRULHUHMNKR-UHFFFAOYSA-N 373.847 5.071 30 1 FKEF C=CCC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352463 JKCWMUBQMZGJQI-IFMALSPDSA-N 352.405 5.005 30 1 FKEF CON(C)CCCCCCC#CCCCCCCCCc1cccnc1 2356803558 XFOXGPYGGJMDHE-UHFFFAOYSA-N 358.570 5.802 30 1 FKEF COc1ccccc1-c1cc2c(Nc3ccc(/N=C(\C)O)cc3)nccc2[nH]1 82078300 XDHHWCKYOHISNZ-UHFFFAOYSA-N 372.428 5.590 30 3 FKEF CCC(CC)n1cc2c3c(nc(C)cc31)N(c1ccc(C#N)cc1C)CC2 28958556 BUUKVCOVWOWDOV-UHFFFAOYSA-N 358.489 5.580 30 1 FKEF CCCCCCCCCCCCCCC(=O)C[C@H]1CC[C@H](CCCC)O1 85879042 FUJUJVSNBVLYTQ-BJKOFHAPSA-N 366.630 7.775 30 1 FKEF biogenic C=C1CCC[C@@H]2[C@@](C)(Cc3cc(C(=O)OC)cc(O)c3O)[C@H](C)CC[C@@]12C 85886235 FMHCCRKQMUIWGQ-KKPDNJFZSA-N 372.505 5.226 30 1 FKEF O=C1C(=C2CCC(c3ccc(Cl)cc3)CC2)C(O)=C(O)c2ccccc21 100034104 HKIDMHSZRQSXJE-UHFFFAOYSA-N 366.844 5.975 30 1 FKEF in-vivo Cc1ccc2c([C@H](c3cccs3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1 1857559656 BQJKESRXJVAZPJ-NRFANRHFSA-N 367.477 6.000 30 1 FKEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]12 2356677131 IIZXOWSEQGPRRJ-MSNJVRRCSA-N 368.517 5.746 30 1 FKEF CCCCCCOC(=O)Oc1ccc(/C=N/c2ccc(OCC)cc2)cc1 5711767 YIXSJDSOKYUDTA-HAVVHWLPSA-N 369.461 5.932 30 1 FKEF CC(C)=CCC/C(C)=C/C[C@]1(C)C(=O)C(C)=C2O[C@H](C)CC(O)=C2C1=O 15120581 RWVTZZISTKBQMV-BRKLXWMCSA-N 358.478 5.122 30 1 FKEF biogenic,in-vitro C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(Br)cc2)cs1 28951717 DOBCKAARTRJCGF-FXONDUCNSA-N 364.312 5.551 30 1 FKEF CCCCCCCCCCCCCCc1cc(=O)c2ccccc2n1O 43562150 OQFQKGLHHFAPKB-UHFFFAOYSA-N 357.538 6.482 30 1 FKEF CCCCCCCCSc1nnc(-c2c(Cl)c(CC)nn2C)o1 103274059 MFPGNGNBTQTUJH-UHFFFAOYSA-N 356.923 5.139 30 1 FKEF C=CCCCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811735 GWHAZWGZCMAAIL-UGSOOPFHSA-N 354.307 5.474 30 1 FKEF C=CCc1cccc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c12 587932932 HXRAZPNPXPVGOJ-UHFFFAOYSA-N 356.425 5.340 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587964872 DLUWICNBRXIDJB-HJWRWDBZSA-N 362.376 5.379 30 1 FKEF CC=C1C(=O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](NC)CC[C@]45C[C@@]35CC[C@@]12C 2356428892 BJDBLZLWPJZWEU-CKUUTGJDSA-N 367.577 5.443 30 1 FKEF C=C1[C@H](O)C[C@@H]2[C@H]([C@H](C)CCC=C(C)C)CC[C@]2(C)C[C@@H]2[C@H]1CC[C@@]2(C)O 2356805696 VJXQNKJJJZPJGN-LENZMVDDSA-N 374.609 5.890 30 1 FKEF CCCC/N=C\N1c2ccccc2-n2cccc2[C@@H]1c1ccc(CC)cc1 263590331 OWFDBANBHLBNNU-BUFPPZMGSA-N 357.501 5.778 30 3 FKEF N#Cc1ncc2cc(Cc3ccc(Cl)cc3)n(C3CCCCC3)c2n1 28958166 CRHQXVGHKNGJCS-UHFFFAOYSA-N 350.853 5.052 30 1 FKEF CCc1c(C#N)c(-c2ccc(-c3ccccc3Cl)cc2)c(C(=O)O)n1C 38147771 PLYAKPPEYCWTLQ-UHFFFAOYSA-N 364.832 5.145 30 1 FKEF Cc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)cc(C)c2[nH]ccc12 45246056 POAUSQBRASMNQO-CMDGGOBGSA-N 364.452 5.965 30 1 FKEF CCCCCCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1 85568566 SPFICXCPUUICNW-UHFFFAOYSA-N 360.494 6.058 30 1 FKEF biogenic C[C@@H](C#N)c1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587188706 UVVVMBMONHMLBP-AWEZNQCLSA-N 354.413 5.231 30 1 FKEF N#Cc1ccc2c(C(=O)c3ccc(OC(F)(F)F)c(Cl)c3)coc2c1 587278322 ONVHWOJDSSOJBL-UHFFFAOYSA-N 365.694 5.087 30 1 FKEF C=C1C=C2[C@]3(CCC[C@@H]3CO)CC[C@H](C3CCCCC3)[C@]2(C)[C@@H]2[C@@H]1C2(C)C 2356350547 FAESPSHBAAQWRG-TYDPLJNTSA-N 368.605 6.530 30 1 FKEF CC=C1C(=O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](NC)CC[C@]45C[C@]35CC[C@@]12C 2356428894 BJDBLZLWPJZWEU-UBSFSKHRSA-N 367.577 5.443 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@H]([C@H](C)CCC=C(C)CO)[C@H]3[C@H]1C2 2356634577 JPWFNNHZPMNWHM-AZKIRCEUSA-N 354.578 6.761 30 1 FKEF CON=C1[C@H]2CCC[C@@H]1[C@H](c1ccccc1C)N(C)[C@@H]2c1ccccc1C 71319237 KUFZPJLVXRENOA-GXSHZHGVSA-N 362.517 5.450 30 1 FKEF O=C(/C=C/c1ccccc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587628777 PQHCPJBFSUSHNV-RMKNXTFCSA-N 367.729 5.875 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)c(C(F)(F)F)c3)c(C#N)c2c1 587642838 WMQDUJHVYZWLTP-LLVKDONJSA-N 360.354 6.378 30 1 FKEF C=CC[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822501 KZIKEYVXGPGDDS-RVZJWNSFSA-N 352.291 5.084 30 1 FKEF CC(C)=CCCC(C)=CC(=O)c1cc(C(=O)O)cc(CC=C(C)C)c1O 2356625328 JKNIFCKIXRXOLE-UHFFFAOYSA-N 356.462 5.475 30 1 FKEF C[C@H](/N=C(\S)NCc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 29466729 UFCPQKIBKWTZRQ-AWEZNQCLSA-N 371.506 5.029 30 1 FKEF Cc1cccc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)c1 53297477 KTOVSFALYBSSHY-UHFFFAOYSA-N 359.385 5.619 30 1 FKEF CC1=C(/C=C/C(=O)/C=C/c2ccc(Br)cc2)C(C)(C)CCC1 95577761 XQDKVXXLEFOTJT-OWKCIBLPSA-N 359.307 6.114 30 1 FKEF CCCCCCCCCCCC[N+](C)(C)Cc1cc([N+](=O)[O-])ccc1O 169337919 KIBHSHRNSSSUOO-UHFFFAOYSA-O 365.538 5.798 30 1 FKEF CC#CCCCCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 587956619 HFEWBBSQVIPBPV-UHFFFAOYSA-N 367.718 5.885 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1ccc2oncc2c1 963191978 PMVJXSARAAYRQM-ISKFKSNPSA-N 365.436 5.040 30 1 FKEF CC(C)[C@@H]1C[C@]2(CS1)c1ccccc1CCN2[C@@H](C#N)c1ccccc1 963193100 KJGPXMMUHWJYEH-VABKMULXSA-N 362.542 5.166 30 1 FKEF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356322211 GLUQJSAOAFURSM-HPAVIPBUSA-N 370.621 7.207 30 1 FKEF CCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 96271300 LYTYXSPDNBKVMS-UHFFFAOYSA-N 372.984 7.320 30 1 FKEF CN1C[C@@H](c2ccccc2)C/C1=N\C(=O)Nc1c(Cl)cccc1Cl 169315599 RQVSVWHCCVRPOO-JEEMYIIMSA-N 362.260 5.043 30 1 FKEF O=C(C1=C(O)/C(=C/c2ccc(Cl)cc2Cl)CCC1)c1ccccc1 653869521 FJYOANMGEXUJPU-RVDMUPIBSA-N 359.252 6.256 30 1 FKEF CC[C@H](C)Oc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)cc2)cc1 1911586099 RMKRWAYKMLZGSS-YZQHSXMPSA-N 364.441 5.307 30 1 FKEF C=C(C)[C@@H]1CC[C@](C)(OC(=O)C=Cc2ccccc2)[C@H]2CC=C(C)[C@@H]2C1 2356413257 UIUPDHGXUGRZTO-VCHRRKICSA-N 350.502 5.960 30 1 FKEF CC(C)=CCC(C)=CCOc1ccc(C(=O)C=Cc2ccc(O)cc2)cc1 2356708485 REEMJBTWJYZJID-UHFFFAOYSA-N 362.469 5.970 30 1 FKEF C=C1c2cccc(C(F)(F)F)c2O[C@H](C(=O)OCC)[C@@H]1CCCCCC 13814013 JJPSWMVHKRUVRV-QAPCUYQASA-N 370.411 5.629 30 1 FKEF C=C(C)[C@@H]1CC=C(CN2CCCN(CC3=CC[C@@H](C(=C)C)CC3)CC2)CC1 40565538 CKFCAUIGZCWBRY-JWQCQUIFSA-N 368.609 5.599 30 1 FKEF C=CC[C@@H]1C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CCN1C 49113400 MHROCVUJKBEOQM-OAQYLSRUSA-N 373.475 5.546 30 1 FKEF CCCCCC/C=C\CCCC[C@@H](CCN)C1(CC(=O)O)CCCC1 85506027 OJXDYMBOPUDWKQ-AQWUKCDYSA-N 351.575 6.074 30 1 FKEF biogenic,in-vitro CCCCCCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC 85800759 NIELKFBAURATTF-FQEVSTJZSA-N 364.526 5.448 30 1 FKEF biogenic CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(C#N)c3)o1)CC2=O 587470301 RUEOWUSPFXNWCA-JOCHJYFZSA-N 373.408 5.183 30 1 FKEF Cc1ccsc1-c1cncc(C#Cc2cncc(-c3sccc3C)c2)c1 1857598369 ZLJSZMWTPQFTIE-UHFFFAOYSA-N 372.518 5.950 30 1 FKEF O=C1/C(=C/c2ccccc2)CCC/C1=C\c1ccc(Br)cc1 1857643688 WWKFJPHGHILVKQ-HBKJEHTGSA-N 353.259 5.669 30 1 FKEF CCCCCCCCCCCCCCCC=C1C(=O)O[C@](C)(O)[C@@H]1O 2356511721 NFTRQOSKSNZQCQ-CTNGQTDRSA-N 354.531 5.020 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC1=CC(=O)C(OCC)=CC1=O 2356794105 KXYBFLVVTOCOSE-PARPOCPVSA-N 356.506 5.174 30 1 FKEF C=CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 34282093 HIPBWCDJXUTHQU-UHFFFAOYSA-N 362.473 5.333 30 1 FKEF CCCCCCCCCCCc1scnc1C(=O)Nc1nccs1 43450630 VGMIKUQULOQRJD-UHFFFAOYSA-N 365.568 5.925 30 1 FKEF COc1ccc(/C=C2\CCC3=CC4(CC[C@@]3(C)C2=O)SCCS4)cc1 71318981 MEOQSAKBRWHXPR-MQMQVCBVSA-N 372.555 5.344 30 1 FKEF C=CCc1cccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1O 103909184 UQMOGNFIAWUZJN-QFIPXVFZSA-N 374.484 5.992 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccccc2-c2ccc(F)cc2)cc1OC 299867872 QPMDKXOUMCJSLY-UKTHLTGXSA-N 362.400 5.406 30 1 FKEF CC(=O)O[C@]1(C)CCCC(C)=CCC[C@@]2(C)O[C@H]2C(=O)C(=C(C)C)CC1 2356532611 QRIAHPSWAQTBHB-BHDDXSALSA-N 362.510 5.062 30 1 FKEF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCS)CCCC(=O)O 40617217 XFUKUUWWLQMTQF-UHGFVZJOSA-N 364.595 6.763 30 1 FKEF Clc1ccc(-c2csc(N/N=C/c3ccc4ccccc4c3)n2)cc1 261085380 CMMYTLXWYBHRJM-WSDLNYQXSA-N 363.873 6.063 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)ccc1-c1ccc(C=O)o1 587899555 DEYSRHFLJPBBCY-UHFFFAOYSA-N 350.801 5.129 30 1 FKEF CC#CCCCCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 587956941 MWLVSDGCYYDUIU-UHFFFAOYSA-N 356.473 5.566 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@@H](C)[C@@]2(C)Cc1cc(C(=O)OC)cc(O)c1O 2356533604 LYISFTUSDUUZOY-ZIFPLYCDSA-N 372.505 5.226 30 1 FKEF CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCC 85922165 JUSCOPQPCVPZIJ-UHFFFAOYSA-N 366.630 7.966 30 1 FKEF endogenous,in-man N#CCCCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1 103239572 LGDXMIACGUTPFM-UHFFFAOYSA-N 352.478 5.677 30 1 FKEF O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1ccccc1C(F)(F)F 299825161 DAHSCWXSVLGXOZ-ZDUSSCGKSA-N 364.388 5.714 30 1 FKEF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(C#N)c(C#N)cc2[nH]1 587074549 XAZQVWISPGJHJI-UHFFFAOYSA-N 368.827 5.602 30 1 FKEF C=CCCCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812921 LZSCHFPDHDAMCY-SCLBCKFNSA-N 354.307 5.474 30 1 FKEF CCCCCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820340 OWEVITRXWKKFNU-CZUORRHYSA-N 356.323 5.914 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2nc(-c3ccccc3)[nH]c2c1 587907733 SXFLAWIXWDVFMC-UHFFFAOYSA-N 358.828 5.292 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(N)c(C(F)(F)F)c1 587913709 DDDPWWQWFJEYGK-UHFFFAOYSA-N 360.162 5.003 30 1 FKEF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC#N)c1ccc(C(F)(F)F)cc1 963242400 PQUMLVSQYWXNFX-KKSFZXQISA-N 372.434 5.519 30 1 FKEF Cc1noc(C)c1-c1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1 1857540614 YEVAGDSRQPYKKL-UHFFFAOYSA-N 358.319 5.641 30 1 FKEF C=C1C=C[C@H]2[C@@](C)(CCC[C@@]2(C)COC(C)=O)[C@H]1CCC(C)=CC(=O)OC 2356439094 DMYYYSYORLBYSN-MQFRRQCYSA-N 374.521 5.004 30 1 FKEF C(=N/Nc1ncnc2sc3c(c12)CCCC3)\c1cccc2ccccc12 5604979 YYOIHQLDXPSXBS-WYMPLXKRSA-N 358.470 5.169 30 1 FKEF C/N=C(/S)[C@@]1(c2cccnc2)CCCC/C1=C\CSc1ccccc1 13590010 GXGFOFYKSCJGKJ-RKCQOLGWSA-N 368.571 5.570 30 1 FKEF C=CC[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355789 WCRZZYJPFPVUIY-HNKPZJSLSA-N 366.432 5.395 30 1 FKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)OC)CC[C@@H](OC(C)=O)[C@@]21C 2356558563 DAAOHIJBEDBLLK-SDHKCTLJSA-N 374.521 5.002 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@H]3C(C)=CC(=O)C3=C(CO)CC[C@@H]12 2356794472 HXDMYQBRFKEQKN-HAXVPUKYSA-N 368.561 5.795 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](S)CC[C@]34C)[C@@H]1CC[C@@H]2C1=CC(=O)OC1 27527021 JCUGXLDGPDHWSR-RDIILWCNSA-N 374.590 5.427 30 1 FKEF CCN(CC)C(=S)SC/C(=N\c1ccccc1)Nc1ccc(C)cc1 27846092 QMODFZIXFFBZNB-UHFFFAOYSA-N 371.575 5.497 30 1 FKEF N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(Nc2ccccc2)c1 28254097 IVHZRYBZVXHBJC-UHFFFAOYSA-N 366.424 5.339 30 1 FKEF CC1=C(/C=C/C(=O)/C=C/c2csc3ccccc23)C(C)(C)CC[C@@H]1O 140697308 NKPSXKRBRARJMY-AXJGROCASA-N 352.499 5.537 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@](C)(CC(OC)OC)[C@H]2CCC(C)=O 238780529 SFHOQLVZWUNZEX-LDNJSWSKSA-N 350.543 5.390 30 1 FKEF C=CCc1cccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c12 586881517 GZWAXXFWPKBILF-UHFFFAOYSA-N 366.464 5.806 30 1 FKEF CCCC[C@@H](CC)COc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587907128 FFJCRPBREUDZIH-GOSISDBHSA-N 370.920 6.344 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2nc(C)n(C(C)C)c2cc1F 587917648 NQAOTELNYDJPDI-UHFFFAOYSA-N 356.828 5.127 30 1 FKEF CC#CCCCCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 587957257 UMDQTFWGLIIXNF-UHFFFAOYSA-N 368.706 5.280 30 1 FKEF COc1ccc([C@H]2c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c(C)c1 963209423 WUGZPBXWGJOPIZ-DQEYMECFSA-N 368.480 5.216 30 1 FKEF Cc1c(C(=O)/C=C/c2ccccc2)cc2cccn2c1C(=O)c1ccccc1 1857771587 LIALWRQVKKHYGE-CCEZHUSRSA-N 365.432 5.375 30 1 FKEF CC1=C[C@H](C)C[C@H](C)CCC[C@@H]2C=C(C)[C@@H](C)C[C@@]23OC(=O)C(=C3O)C1=O 2356716679 UPNVMWXNMXHNBS-KLARDNQSSA-N 372.505 5.058 30 1 FKEF C=C1[C@H](C)CCC[C@]1(C)CC[C@@]1(C)C=Cc2c(O)c(OC)cc(O)c2O1 14589315 FRNCPGLIWZENHP-KHIBUBOWSA-N 358.478 5.433 30 1 FKEF biogenic N#Cc1c(N)c(C#N)c(-c2ccc(F)cc2)c2c1C[C@@H](c1ccccc1)S2 95603852 RMXRAJJRVIDSMR-IBGZPJMESA-N 371.440 5.208 30 1 FKEF C=CCc1cc(/C=C/C(=O)/C=C/c2cccc(Cl)c2Cl)ccc1OC 103267823 UZUWHVLCALWHQV-TXSAMIJNSA-N 373.279 6.026 30 1 FKEF C[C@H]1C[C@H]2[C@@H]3CC[C@@H](c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 141061296 WTCAGIZCINZHDK-ATCMPCMVSA-N 363.545 5.943 30 1 FKEF CCCCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 587560516 CYEQBWYHFOHQBZ-UHFFFAOYSA-N 351.450 5.006 30 1 FKEF CCN[C@H]1CC[C@]23C[C@@]24CC[C@@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@@H]4CC[C@H]3[C@@H]1C 2356680097 UJZGATBJRUSNIV-JZKQJPFZSA-N 369.593 5.523 30 1 FKEF C=C1C=C(C)CC(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O 3833827 QLTIGDUKNMBVNZ-AWEZNQCLSA-N 351.284 5.254 30 1 FKEF CCc1c(C)[nH]c(=O)c(C#Cc2ccccc2)c1Oc1cc(C)cc(C)c1 28818728 DMFSIBQKSPCBKJ-UHFFFAOYSA-N 357.453 5.055 30 1 FKEF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 103521044 GXMAVVSGNJBWCW-ONZPZFSWSA-N 359.853 5.101 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(CCCC=O)c(NC(=O)OC(C)(C)C)c2c1 587643321 SZQUILFFRLIZRD-AWEZNQCLSA-N 358.482 5.550 30 1 FKEF C=C1CC([C@@]2(C3CCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587819373 MCHREGRZLPHCLU-HXPMCKFVSA-N 364.302 5.084 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Cl)ccc1C(F)(F)F 587913764 GKRXRJBZALRQQA-UHFFFAOYSA-N 359.174 5.615 30 1 FKEF [N-]=[N+]=Nc1ccc(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)cc1 653776543 GORHNRXJALSGKB-UHFFFAOYSA-N 371.356 5.843 30 1 FKEF C=C1C[C@]2(CC[C@]3(CCC[C@@H]3CO)C2)[C@@H]2O[C@]2(C)CC[C@H]2[C@H]1CC2(C)C 2356365735 QZQQCWGWNDJJMV-FCMACYBESA-N 358.566 5.495 30 1 FKEF CS/C(=N\Cc1ccco1)N(Cc1ccccc1)Cc1ccccc1 5880697 SFZZHIIVZHJGOA-DQRAZIAOSA-N 350.487 5.201 30 1 FKEF C=CC[C@@H](Nc1ccccc1OC)c1cn(C(=O)OCC)c2ccccc12 28646660 YYAFQEHLKAYUIZ-GOSISDBHSA-N 364.445 5.384 30 1 FKEF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCC/C(S)=N\CCO 38146579 ILNDBHMZRTUWPU-MLFLMRJSSA-N 363.611 6.453 30 1 FKEF CCCCCCCCCCCCCCCC(=O)c1c(O)cc(C)oc1=O 43322561 GNJOOPJLVRSFOR-UHFFFAOYSA-N 364.526 6.318 30 1 FKEF CCCCCCCC(=O)Oc1c(OC)cc2ccnc3ccn(C)c1c23 49867706 SXLMUAUALAVVAS-UHFFFAOYSA-N 354.450 5.001 30 1 FKEF CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccccc3)C2=C(O)C1 101743094 INCVOMVGYBBLFG-LJQANCHMSA-N 355.437 5.465 30 1 FKEF O=C(CCCCCCCCC=Cc1ccccc1)C1=C(O)CCCC1=O 2356332617 HFFNMSOTVGPTQS-UHFFFAOYSA-N 354.490 5.955 30 1 FKEF C=C1[C@H]2CC[C@@](C(=O)CCc3ccccc3)([C@H]2OC)[C@@]1(C)C1CCCC1 2356440941 XELMFKCJQTWXBI-GNLZIIPMSA-N 352.518 5.366 30 1 FKEF CCCCCCCCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 2356726483 WCQFXNQALHURHS-UHFFFAOYSA-N 360.538 6.380 30 1 FKEF CCCC/C=C\C#CCCCCCCCCCN(C)CCN(C)C(C)=O 36441276 QZCVTRHBWDJFFK-HJWRWDBZSA-N 362.602 5.267 30 1 FKEF CC1(C)CCc2c(c3ccccc3c3nc(-c4ccc(C#N)cc4)oc23)O1 95573717 ZIAHDMJFCSEASL-UHFFFAOYSA-N 354.409 5.623 30 1 FKEF CON=C1[C@@H]2CC(C)C[C@@H]1[C@@H](c1ccccc1F)N[C@@H]2c1ccccc1F 101995352 VLDQNJVVDNGNJN-LDENHWSHSA-N 370.443 5.015 30 1 FKEF C=C(C)[C@H]1CC[C@](C)(OC(=O)/C=C/c2ccccc2)[C@H]2CC=C(C)[C@@H]2C1 238778892 UIUPDHGXUGRZTO-QPLSZYGESA-N 350.502 5.960 30 1 FKEF C=C(C)COc1cccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587478774 HELKNBIRZBZLHS-OAQYLSRUSA-N 352.430 5.006 30 1 FKEF O=C(O)CCCC#CC#CC=CCCCCCCC=CBr 2356494405 CJVPQXWIBONARO-UHFFFAOYSA-N 351.284 5.054 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(C[N+](C)(C)C)cc1 72106805 UUMQRTYHVBXFOU-UHFFFAOYSA-N 362.622 6.973 30 1 FKEF Cc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)c(Br)c1 235982638 KRRZSPSDGJOTTR-UHFFFAOYSA-N 355.260 5.420 30 1 FKEF C=C[C@]1(C)CC[C@@H](C(=C)COC(=O)c2ccccc2C(=O)O)C[C@H]1C(=C)C 299832532 IXMJOEMNMWFQSK-DHJUGAMNSA-N 368.473 5.283 30 1 FKEF N#Cc1cc(Cl)c2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 586980501 UKNNPKQGNJLABD-UHFFFAOYSA-N 367.033 5.171 30 1 FKEF C=CCOc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401941 ZXOQJGXUCPYUJY-NRFANRHFSA-N 359.425 5.002 30 1 FKEF CC(C)=CCCC(C)=CC[C@@]1(C)C(=O)C(C)=C(O)C2=C1O[C@@H](C)CC2=O 2356451689 OEDQLGJPWHJKOM-NYHFZMIOSA-N 358.478 5.122 30 1 FKEF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CCC(C)=CCOC(C)=O 2356493804 HSANNLXBHKRHSH-BLKABHOGSA-N 362.510 5.140 30 1 FKEF CCCCCCCCCN[C]1C2=C(CC(C)(C)CC2=O)Nc2ccccc21 2356868755 BZWYSQNCDZKBKZ-UHFFFAOYSA-N 367.557 5.976 30 1 FKEF CCCCCCCCCCc1c(C)c2cc(OC(C)=O)ccc2[nH]c1=O 73278397 ZCHUFAHMSCDTPE-UHFFFAOYSA-N 357.494 5.445 30 1 FKEF CCCCCCCCCc1c[nH]c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)c1 85552240 ZFWNFDJEWPSCJW-JCMHNJIXSA-N 365.521 6.010 30 1 FKEF CCOc1ccc(-n2cnc3cc(/N=C/c4ccc(CC)cc4)cnc32)cc1 95593041 ASDSCMPUBXZHDD-ZVHZXABRSA-N 370.456 5.132 30 1 FKEF CCOC(=O)c1ccc(/C=C(C)/C=C/[C@]23O[C@]2(C)CCCC3(C)C)cc1 100769642 OHQAJZCZAQLZGZ-UWQGROEVSA-N 354.490 5.561 30 1 FKEF C[C@H](C1N=CC=N1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932794 RMALHIYLKVZMFX-AOEZPDJKSA-N 366.549 5.252 30 1 FKEF CC(C)Sc1sc(C(=O)O)c(Nc2ccc(Cl)cc2)c1C#N 169329762 NWAYOQLTBOMNQC-UHFFFAOYSA-N 352.868 5.215 30 1 FKEF CCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl 169337882 QNFYTQHPCFEMIP-UHFFFAOYSA-N 373.432 7.491 30 1 FKEF CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)Cc1ccccc1 299866209 VIIOUTCMRDAYQF-BJKOFHAPSA-N 361.614 6.399 30 1 FKEF CC(C)=CCC[C@@]1(C=O)[C@H]2CC=C(C)CCC=C(C)CC[C@H]1[C@@]1(CC2)CO1 1857626621 CFTIGVMTUOJNLU-ZYQDXHPFSA-N 370.577 6.570 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC=CC(C)=O 2356684043 KNRXBOCDMJMJJX-IHWDNLPISA-N 360.538 5.802 30 1 FKEF CCCC#CCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27847022 DDWKWDCODVKKDZ-UXHICEINSA-N 352.518 6.129 30 1 FKEF CCS/C(=N\C1CCCC1)N(Cc1ccccc1)Cc1ccccc1 82052454 MIOHWDTWULTUEW-FCQUAONHSA-N 352.547 5.741 30 1 FKEF C=C[C@]1(C)CCC2=C(CC[C@H]3[C@]2(C)CCC[C@@]3(C)COC(=O)CC(=O)O)C1 85946909 MABMDRZLCMPGFD-TWHAJKEOSA-N 374.521 5.284 30 1 FKEF biogenic CCCCCCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445677 MHXMGWXXSBWNJI-HYBUGGRVSA-N 364.485 5.699 30 1 FKEF C=C(C)[C@H]1CC=C(C)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819938 XKICRSWZRAFPJK-FRIZHTMISA-N 364.302 5.250 30 1 FKEF N#CCn1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)c2ccccc21 962667852 MIRVQOIRXOEFCN-RUZDIDTESA-N 363.464 5.067 30 1 FKEF Cc1ccc2nc(-c3ccc(C#N)cc3)c(Cc3cccc(Cl)c3)n2c1 95600351 RUJQYCOUASXFDV-UHFFFAOYSA-N 357.844 5.426 30 3 FKEF CCCCC#CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13557635 DVCBEVODQHDPAR-WOJBJXKFSA-N 352.518 6.129 30 1 FKEF Cc1nc2c(o1)/C(=N\c1ccccc1)c1ccccc1/C2=N/c1ccccc1 101342422 CQWANUMSMQMLNZ-FVNHVHOESA-N 363.420 5.635 30 1 FKEF C[C@@H]1C[C@H]2[C@@H]3CC[C@H](c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 141061485 WTCAGIZCINZHDK-QKGCQPFZSA-N 363.545 5.943 30 1 FKEF C=C(CCC=C(C)C)[C@H]1C/C=C(\C)CC/C=C(/CO)CC/C=C(\C)CC1 238761566 CEAIUZINKITJML-IGXBSEPUSA-N 356.594 7.461 30 1 FKEF CCCCCCC/C=C\Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206174 KMTPJJSCDLCUIS-HJWRWDBZSA-N 369.508 6.905 30 1 FKEF CCCCCCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812135 IJGPGULICCYRMB-IFXJQAMLSA-N 370.350 6.088 30 1 FKEF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3ccc(Cl)cc3)cs1)C2 1857774552 PCGXLQKNISVIDZ-BLZGRBQHSA-N 359.926 6.078 30 1 FKEF C=C(C)[C@@H]1c2cc(C)c(o2)[C@H](OCC)[C@H](C(=C)C)CCC2=C[C@H]1OC2=O 2356448203 UJFMLTLCPYIUEE-HKJQZYRSSA-N 356.462 5.163 30 1 FKEF CCCCCCCCCCCCN1CCN2CCc3ccc(F)cc3[C@@H]2C1 49766485 PDHBXTYQYGZIEG-DEOSSOPVSA-N 374.588 5.961 30 1 FKEF N#Cc1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 143411932 NQILYUAXZFKNNO-FQEVSTJZSA-N 351.327 5.004 30 1 FKEF CC/C=C/CCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@@H](CCCCCCC)NC(=[N+]23)N1 146436748 RTIHUTXMEHQCPS-JAKWJRLISA-O 360.610 5.107 30 1 FKEF C=C1C[C@]2(CC[C@]3(CCC[C@@H]3CO)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C 2356365736 QZQQCWGWNDJJMV-HZOXFFBXSA-N 358.566 5.495 30 1 FKEF O=C(Nc1ccccc1)Nc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1 28521748 MKFIESHYXXRSMT-SDNWHVSQSA-N 360.388 5.366 30 1 FKEF N#CCN(Cc1ccc(Br)cc1)Cc1ccc2ccccc2c1 34065610 SDULGMZUGPNQJH-UHFFFAOYSA-N 365.274 5.128 30 1 FKEF CCCCCCCCCCCCCCCCOCC[N+](C)(C)CCCO 38143144 IVTRZKIOYCOVRZ-UHFFFAOYSA-N 372.658 5.943 30 1 FKEF CCCCCCCNc1ccc(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 64559436 INIYPOPUKFVZSV-YADHBBJMSA-N 369.936 6.709 30 1 FKEF CCCCCCCCCCCCCCC[C@@H]1O[C@]1(C)C(=O)N[C@@H](C)CO 85856106 WTOKUHHGBBPESF-ONTIZHBOSA-N 369.590 5.122 30 1 FKEF biogenic N#Cc1ccccc1-c1ccc(CSc2ncnc3ccccc23)cc1 95601216 CIOSQQHTOIYCBP-UHFFFAOYSA-N 353.450 5.461 30 1 FKEF CO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccccc2)cc1 103912927 FBZRCKYGCVGRAC-KEPZKYLNSA-N 373.452 5.335 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(CC(=O)OC)cc1 136996038 USPJDDPQZBXVRU-UHFFFAOYSA-N 362.554 6.482 30 1 FKEF O=C(Nc1cccc(Cl)c1)O/N=C1\CCCC[C@H]1Cc1cccs1 140254909 AGVVTAXHVDCUGG-NGFMMCKOSA-N 362.882 5.739 30 1 FKEF C/N=C(\c1cccs1)N(C)c1ccc(OC)c(CSC2CCCC2)c1 169352370 HWRYSNUSIZFAMD-QZQOTICOSA-N 374.575 5.445 30 1 FKEF C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C 255197711 BCMOWDMOMYVIPH-OBLRLYFESA-N 355.566 5.262 30 1 FKEF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)CC[C@@H]1C(C)(C)S 587489893 FJQIDNMXQWUHSM-NVMYHKGLSA-N 362.535 5.193 30 1 FKEF COc1ccc(Cl)cc1C#CCc1c(Cl)ccc([N+](=O)[O-])c1Cl 587898037 DEOWYWRNAPTBOG-UHFFFAOYSA-N 370.619 5.158 30 1 FKEF CC[P+](CC)(CC)CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 3930396 LVTLZIONBOXKSP-NRFANRHFSA-O 351.491 5.869 30 1 FKEF C=C[C@]1(C)CCC2=C(CC[C@@H]3[C@](C)(OC(=O)CC(=O)OC)CCC[C@@]23C)C1 40424370 LMMOFSFYOMSBHS-OUFMZXHOSA-N 374.521 5.124 30 1 FKEF biogenic CCCCCCCCCCCCCCCC[C@H](C)CCCCCCCC 138477267 NWCZRGQLDBQIFH-AREMUKBSSA-N 366.718 10.245 30 1 FKEF CCCCCCCCCCCCC[C@H](O)Cc1cc(O)cc(OC)c1 143490887 OTXIMUFFPOYKBG-FQEVSTJZSA-N 350.543 6.005 30 1 FKEF CCCCCCCCCCCCC/C=C/CC/C=C/CCCC(=O)OC 238782040 BPMDJBLHOBBFPO-LMOVRVBNSA-N 364.614 7.923 30 1 FKEF C=C(C(=O)c1ccc(OC)cc1)[C@H](OC(=O)c1ccccc1)C(CC)CC 299860348 JDYNJXGDFXULCN-QFIPXVFZSA-N 366.457 5.096 30 1 FKEF CCCc1ccc([C@]2(CC#N)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587471066 YJVPBVVILCQFCD-QHCPKHFHSA-N 363.457 5.072 30 1 FKEF C=CC(C)(C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587954282 MZEKGRHVFAVUDD-UHFFFAOYSA-N 371.278 5.368 30 1 FKEF N#Cc1c(-c2ccccc2)cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1 1772620519 QJCLGXLWPYVAGP-UHFFFAOYSA-N 371.443 6.436 30 1 FKEF COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1C#N 73195701 IEXQJJHEJSWUMW-QGZVFWFLSA-N 361.470 5.235 30 1 FKEF CCCCSC1=C2CC[C@H]3[C@@H](CC[C@@]4(C)C(=O)CC[C@H]34)[C@]2(C)CCC1=O 253684135 JWJVSQSPSJHDRJ-RBJFXJGXSA-N 374.590 5.948 30 1 FKEF CCCCC1CCC(c2nc3cc(C#N)cc(Br)c3[nH]2)CC1 586885965 APULMIZCTLLOCK-UHFFFAOYSA-N 360.299 5.661 30 1 FKEF N#Cc1ccc2c(C(=O)Cc3ccc(OCc4ccccc4)cc3)coc2c1 587278698 JAAFKSCGRYQMHJ-UHFFFAOYSA-N 367.404 5.309 30 1 FKEF CCCCCCCNC(=O)Oc1ccc2nc(-c3ccccc3)ncc2c1 653736155 UFHGBKIPPJJYSN-UHFFFAOYSA-N 363.461 5.356 30 1 FKEF Cc1c(F)ccc2c1[C@](CCc1ccccc1)(c1cccc(C#N)c1)NCC2 962091533 KVMFAJDVLHHHFF-VWLOTQADSA-N 370.471 5.028 30 1 FKEF COc1cc(/C=C2\CC/C(=C\c3ccccc3Cl)C2=O)cc(OC)c1 1772618866 HWVXCHCQQPGQMD-OILUWJOSSA-N 354.833 5.187 30 1 FKEF O=C(O)c1ccc(C(F)(F)F)cc1/N=C/c1c(O)ccc2ccccc12 1857756012 LNFLZULHMLTKNG-AUEPDCJTSA-N 359.303 5.013 30 1 FKEF CCCC/N=C(\O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc12 4911690 CRKQYLZKQMVIFD-UHFFFAOYSA-N 361.489 6.207 30 1 FKEF CCCCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 43640853 YEPNRFKJRZCIAN-UHFFFAOYSA-N 368.565 6.560 30 1 FKEF CCCCCCC#C[C@H](c1ccc2c(c1)CCC(C)(C)O2)N1CCOCC1 103208423 JJJACVWYHCXLPP-JOCHJYFZSA-N 369.549 5.137 30 1 FKEF Cc1ccccc1Nc1nc(C)c(C(=O)/C=C/c2ccccc2Cl)s1 64528047 NDHBPAGWKMGOBV-VAWYXSNFSA-N 368.889 6.053 30 1 FKEF O=C(CCCCCCCC/C=C/c1ccccc1)C1=C(O)CCCC1=O 169349650 HFFNMSOTVGPTQS-MDWZMJQESA-N 354.490 5.955 30 1 FKEF CCCCCCC/C=C\CCCCCCCCCCCCCCCCC 169622563 BORALIYXFUDNQQ-ICFOKQHNSA-N 364.702 10.165 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(CO)=CC[C@H]12 2356710518 GUXDHNIKRQCWIE-JBRFXWQVSA-N 368.561 5.651 30 1 FKEF CCCCCCCCCCCCCCCCCC[C@@]1(C(=O)OC)CO1 43242214 QNSMZUJWRYPLMF-QFIPXVFZSA-N 354.575 6.580 30 1 FKEF CC(C)N(CC[C@@H](O)c1ccc2ccccc2c1)Cc1cccc(C#N)c1 145179017 JHHQUVJLRLMFQY-XMMPIXPASA-N 358.485 5.046 30 1 FKEF N#Cc1ccc(C23C[C@@H]4C[C@H](C2)CC(c2ccc([N+](=O)[O-])cc2)(C4)C3)cc1 299867997 ZCQIJZCCPGBHMZ-WVKNIADZSA-N 358.441 5.256 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(Cl)cc1NC(C)=O 587901224 WGBRGMYTEFBWBM-UHFFFAOYSA-N 368.647 5.014 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc2c1CN(Cc1ccccc1)C2 587911339 PSQOMQWRLXBJJK-UHFFFAOYSA-N 373.883 5.264 30 1 FKEF CC(C)COc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1C#N 587921726 VPDBJLIZZNVARO-UHFFFAOYSA-N 359.454 5.255 30 1 FKEF CCCCCCCCCCCCCCCN=c1[nH]nc(-c2ccncc2)o1 1857746911 SRKMJSUCWSGSCL-UHFFFAOYSA-N 372.557 6.057 30 1 FKEF CC1(C)O[C@H](c2ccccc2)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21 13439618 OZHKBSUTUNTRTF-JOCHJYFZSA-N 358.416 5.740 30 1 FKEF N#Cc1ccc(Nc2nc(Cc3c(Cl)cccc3Cl)ns2)cc1 28522788 MFLPXNLDUOKNSU-UHFFFAOYSA-N 361.257 5.051 30 1 FKEF CCCCCCCCCCCCCCN[C@@H]1CCc2ccc(OC)cc2C1 42923959 YCLULZYTDQDDEB-XMMPIXPASA-N 373.625 6.843 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)/C=C/[C@H]1O[C@@H]1C(=O)O 44430559 LOPUOQXRVYARTM-JGDRDZSESA-N 366.542 5.835 30 1 FKEF CCCCCCCCCC/C=C/c1cc(=O)c2ccccc2n1CCCC 71280762 NMPKTWPNDUTKNT-SAPNQHFASA-N 367.577 7.346 30 1 FKEF CC1(C)CCc2c(c3ccccc3c3nc(-c4ccccc4C#N)oc23)O1 95578977 YIWKHCYKLZHCOY-UHFFFAOYSA-N 354.409 5.623 30 1 FKEF C/C(=N\Nc1nc2c(C)cccc2s1)c1ccc(Br)cc1 103295670 FEGCMLGLNZBTIX-YBFXNURJSA-N 360.280 5.203 30 1 FKEF COc1cccc(-c2ccc(-c3nc4cccc(C#N)c4[nH]3)c(Cl)c2)c1 587052011 JOWUWWJJNVJRQM-UHFFFAOYSA-N 359.816 5.431 30 1 FKEF C=CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC=C 587525078 POANKVVYLZZDSB-XMMPIXPASA-N 374.480 5.565 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)N(C(C)C)C(C)C)c1 587904545 PLZHUVWGADHQBU-UHFFFAOYSA-N 369.892 5.007 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2c1csc(=N)[nH]1 1857622528 LBSHCMQCZQSXKN-ASOAYHERSA-N 370.562 5.171 30 1 FKEF CCCCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)O 2356443307 HPSWUFMMLKGKDS-UHFFFAOYSA-N 356.550 7.329 30 1 FKEF CC=C1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@@]12C 2356494601 JKVXXCFZUSFYRI-CKXHSOIMSA-N 369.593 5.475 30 1 FKEF CCC(C)(C)c1ccc(-c2nc3c(Br)cc(C#N)cc3[nH]2)cc1 586879988 LWHRMRQANYBXRD-UHFFFAOYSA-N 368.278 5.552 30 1 FKEF C=CCc1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135097 SBUMLMOMHYBQSO-FPLPWBNLSA-N 350.290 5.157 30 1 FKEF CCCCCCC/C=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587818829 KDIVNFIXLLIJIP-HLAJSXCISA-N 368.334 6.080 30 1 FKEF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C/N=C/c1ncc[nH]1 1857635206 ZTUZLGBFXJZCMO-QJCXZHHUSA-N 363.549 5.663 30 1 FKEF C[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC3 2356867489 WSGABYGALSWQQJ-BMFAXDFGSA-N 370.577 5.709 30 1 FKEF O=C(/C=C(\Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccccc1 199266166 UUKDAMRFLXJQRF-HKWRFOASSA-N 367.370 6.041 30 3 FKEF CCCCCCCCCCCCCCC[C@@H](CN(N=O)OC)OC(C)=O 137126568 RHHIVGILQKAOQU-FQEVSTJZSA-N 372.550 5.944 30 1 FKEF CCCCCCCCCCCCCCCCCCCCOC(=O)CCC 169622341 KXZTZTCVTSKMMY-UHFFFAOYSA-N 368.646 8.371 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(Br)cc1Cl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c2ccc(O)c(CCC)c2O1 587479234 CNHVBOMTLYHKFM-RBUKOAKNSA-N 374.565 6.845 30 1 FKEF C=C(C)[C@H]1CC=C(C)[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819942 XKICRSWZRAFPJK-RFUYNDQBSA-N 364.302 5.250 30 1 FKEF CCCCCCC=CCCCCC[C@@H](CCc1ccccc1)CC(=O)O 2356357945 VYIHKHZAGKEFGR-QHCPKHFHSA-N 358.566 7.187 30 1 FKEF C=C1C[C@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@H]1[C@H]23 2356360680 LOMCSNMWUADCBX-IYJLHAMFSA-N 358.566 5.495 30 1 FKEF C[C@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356488557 RDEAHSQXFDTFBM-MYDAXSSOSA-N 368.517 5.187 30 1 FKEF O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1 1772638121 UHRHGTCZHWYAEX-IECUCWQJSA-N 360.438 5.084 30 1 FKEF O=C(O)CCCCCC#CCCCCCCCC/C=C/Br 13379749 GZSYVIBWPVIYAL-BMRADRMJSA-N 357.332 6.054 30 1 FKEF CCCCCCCCc1ccc(CCCNc2ccc(C(=O)O)cc2)s1 49589073 IBSJUOAQRSGLBJ-UHFFFAOYSA-N 373.562 6.394 30 1 FKEF CC1(C)CCc2c(c3ccccc3c3nc(-c4ccc(C#N)cc4)[nH]c23)O1 95575515 UUOFITPCIHNXSQ-UHFFFAOYSA-N 353.425 5.358 30 1 FKEF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 587070388 SSRQFDNRRPKDEG-SNVBAGLBSA-N 358.228 5.118 30 1 FKEF COc1ccc(Cl)cc1C#Cc1sc2ccc(Cl)cc2c1C=O 587921121 UDSTZGBXCPNATD-UHFFFAOYSA-N 361.249 5.429 30 1 FKEF O=C[C@H](SCc1ccccc1)[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962662611 FCXRPXCIGIYGCQ-BJKOFHAPSA-N 373.521 5.041 30 1 FKEF COc1ccc(/C=C/C(=O)c2ccc(C/C=C(\C)CCC=C(C)C)cc2)cc1 1857563681 XEISUBHXZKLIDV-KBIUCFDGSA-N 374.524 6.827 30 1 FKEF CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCO 38158619 NMMKAJYJVUJFPT-UHFFFAOYSA-N 370.686 7.097 30 1 FKEF Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3C2=C(O)c2ccccc23)cc1 101765580 BCGFJAJHHAQHQG-HXUWFJFHSA-N 369.464 5.507 30 1 FKEF CS/C(CC(=O)c1ccc(Cl)cc1)=N\c1nc2ccccc2s1 169729460 UCZKGUSLDUOBFZ-SILNSSARSA-N 360.891 5.616 30 1 FKEF Cc1ccc(-c2nc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cs2)o1 587016371 KTKYZRCHQNLBGR-UHFFFAOYSA-N 374.347 5.145 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587067439 ZYYNPVGRZUFQOD-UHFFFAOYSA-N 373.843 5.299 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@]3(C[C@]12C)[C@H](C)CC[C@@H]1C(C)(C)C(=O)CC[C@@]13C 2356631487 DPFQPNJTINPILZ-QHOAPHEJSA-N 370.533 5.396 30 1 FKEF CCCC/N=C/N1c2ccccc2-n2cccc2[C@H]1c1ccc(CC)cc1 206053958 OWFDBANBHLBNNU-HWEDYNCSSA-N 357.501 5.778 30 3 FKEF CCCCCCCCCCc1ccc(-c2noc(C3(C(=N)N)CC3)n2)cc1 148292201 MLSIELZRFNGNQS-UHFFFAOYSA-N 368.525 5.387 30 1 FKEF O=C(/C=C/c1ccc(-c2cccc(C34CC5CC(CC(C5)C3)C4)c2)cc1)NO 169308769 IJLVJTFZLLZXDN-RMKNXTFCSA-N 373.496 5.340 30 1 FKEF N#Cc1ccc2c(C(=O)c3ccc(OCc4ccccc4)cc3)coc2c1 587279421 SRZGJKUZUAMRPR-UHFFFAOYSA-N 353.377 5.114 30 1 FKEF CCCCC1CCC([C@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)CC1 587387067 NZSYHTUANJVEEW-XWTGJVNOSA-N 354.494 5.192 30 1 FKEF CCCCCCCCCCC1=C(O)C(=O)c2cc(OC)cc(OC)c2C1=O 1857759406 LGVUHSWYWCLKPZ-UHFFFAOYSA-N 374.477 5.426 30 1 FKEF CCCC[C@H](C)CCCCCCCCCCC(O)=C1C(=O)CN(C)C1=O 2356788785 CLQUSAOKQUHSNL-SFHVURJKSA-N 365.558 5.567 30 1 FKEF CCCC[C@@H](C)CCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356857967 SOJRDBWVSDEOFR-SJORKVTESA-N 351.531 5.175 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(C(=O)n4ccnc4)CCC[C@@]23C)C1 27105572 YYUULFLSFQSOPB-CJTHLSDLSA-N 352.522 5.659 30 1 FKEF CCCCCCCCCCCCCCCCOC[C@@H](C[N+](C)(C)C)OC 38143129 AWIKXQMXUCFSAM-HSZRJFAPSA-N 372.658 6.206 30 1 FKEF O=C1/C(=C/c2ccc(Cl)cc2)Oc2cccc(OCC3CCCCC3)c21 49807399 SEXKPRFPXSINEL-MOSHPQCFSA-N 368.860 5.915 30 1 FKEF C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C\c1ccsc1 169338371 GNAQOCUJKIASBV-HCDAPJTOSA-N 359.907 5.052 30 1 FKEF Fc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1F 587094780 HAWVWFOAYWEELF-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF CCCCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 43443041 PBJXAMKQGAYFMW-UHFFFAOYSA-N 366.457 5.905 30 1 FKEF FC(F)(F)c1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1Cl 587089990 JUKKZLLFQUKSAL-QMMMGPOBSA-N 355.040 5.159 30 1 FKEF C[C@H](Oc1ccc(C#N)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587192280 XWKIGKQBAFCNRF-HNNXBMFYSA-N 363.420 5.881 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(N2CCCCC2)cc1Cl 587900016 IZCCSYAGABXKNT-UHFFFAOYSA-N 360.284 5.392 30 1 FKEF C(=N/Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)\c1cccnc1 1857647038 SDGVDDTXQPVNGS-OEAKJJBVSA-N 356.454 5.318 30 1 FKEF CCC[C@H](C)n1ccnc1/C=C/C(=O)/C=C/c1nccn1[C@@H](C)CCC 473118677 LAHYVOROYJGZNA-YESGWAHASA-N 354.498 5.098 30 1 FKEF CCCCCCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812134 IJGPGULICCYRMB-AUUYWEPGSA-N 370.350 6.088 30 1 FKEF NC(=NC1CCCC1)c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1 1857538213 WRPJHENZFNXGKO-UHFFFAOYSA-N 365.864 5.328 30 1 FKEF CN[C@H]1CC[C@]23C[C@@]24CC[C@@]2(C)C(C(C)=O)=CC[C@]2(C)[C@@H]4CC=C3C1(C)C 2356610469 LUSKLCMHXMKJNA-CNLIDWIPSA-N 367.577 5.443 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC1=CC(=O)C=C(OCC)C1=O 2356799414 UKXDPPLUHNQGRE-NZILNVENSA-N 356.506 5.174 30 1 FKEF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C)=CC[C@H]12 2356802668 SNIGTACYIZZBCS-ZPOGUGMZSA-N 354.578 6.903 30 1 FKEF CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3cccs3)C2=C(O)C1 3893647 ZOIBCLAYIWZWOA-IBGZPJMESA-N 355.503 5.562 30 1 FKEF C=C1CCC[C@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)ccc1O 14966800 WNSIKCDGFAFGBP-ZOGZYCIHSA-N 356.506 5.520 30 1 FKEF CC(=O)C1=C(C)Nc2cc(Cl)ccc2S[C@H]1c1ccc([N+](=O)[O-])cc1 43013817 NJDAOEIBUPRIKB-SFHVURJKSA-N 374.849 5.370 30 1 FKEF CN(Cc1ccc(-c2ccccc2C#N)cc1)Cc1cccc2cccnc12 103275915 KJAOBOWAESBACM-UHFFFAOYSA-N 363.464 5.405 30 1 FKEF C#CCC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCCCC1 586877470 AORDCTCUHCADPD-UHFFFAOYSA-N 374.328 5.826 30 1 FKEF C=CCc1cccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587225601 MKEJAXLIWRFOIA-GOSISDBHSA-N 355.482 5.047 30 1 FKEF CCCCCCC/C=C\C[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444218 CGRSJSCVDCOMRP-IFJOKRMOSA-N 356.506 5.898 30 1 FKEF CCCCCCCCCCCCOC(=O)CCCCCNC(=O)OCC 44052743 JTXFTTGJMJPZMJ-UHFFFAOYSA-N 371.562 5.757 30 1 FKEF CCCCCC/C=C\CCCCC[C@H](CCc1ccccc1)CC(=O)O 85506007 VYIHKHZAGKEFGR-XBKFQHLESA-N 358.566 7.187 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCCCCCC[C@H](CC(=O)O)OC(C)=O 85846711 SELBZODRWLCDNA-OAQYLSRUSA-N 370.574 6.654 30 1 FKEF biogenic CCCC1(CCC)CC(=O)C([C@H](c2ccccc2)C2CCCC2)=C(O)O1 100785589 SGBAGHCZRVBUPI-HXUWFJFHSA-N 356.506 6.058 30 1 FKEF C[C@@H]1C[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 141108336 UHGHCTMMNLVNEP-PKYJYQBJSA-N 361.529 5.853 30 1 FKEF N#Cc1cc(Cl)c2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc2c1 587241864 JSCQDWDUCGDBPQ-UHFFFAOYSA-N 360.804 5.204 30 1 FKEF Cc1ccccc1[C@H](C#N)c1[nH]c2cccc(F)c2c1Cc1ccccc1 587635287 JMLLMGQZMATATC-FQEVSTJZSA-N 354.428 5.862 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cn3ccccc3n2)cc1 587906588 MNVYQJWGHWCYOJ-UHFFFAOYSA-N 358.828 5.063 30 1 FKEF C#CCN1c2cccc(C(F)(F)F)c2Sc2cnc3ccccc3c21 1857759959 YTLZUOLOJSNJRP-UHFFFAOYSA-N 356.372 5.490 30 1 FKEF C=C[C@@](C)(CCC=C(C)CCC=C(C)C)CC(=O)c1ccc(O)cc1O 2356451465 GRNAGUJNQRJEQR-QHCPKHFHSA-N 356.506 6.336 30 1 FKEF C=C1CC[C@H]([C@H](C)CCC=C(C)C(=O)O)[C@@H]2[C@@H]1CCC1=CCC[C@]3(C)[C@@H]1[C@H]23 2356588154 KAAGZIORAICENU-AZDPWMTLSA-N 368.561 6.399 30 1 FKEF CC(C)[C@H]1C[C@]2(CC[C@]3(C(C)C)C[C@H]23)OC2=C1C(=O)C(C)(C)C(=O)C2(C)C 2382253718 QLGACJMERDLYGD-FUMFTRQZSA-N 372.549 5.332 30 1 FKEF C=C1OC(=O)/C(=C/CCCCCCCCCCCCCCCCC)[C@@H]1O 85966325 SQZLNCJQWPKOOM-SNJAAQEYSA-N 364.570 6.606 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)C[C@H]1c1c(O)cc(-c2cc3ccccc3o2)cc1O 86022804 UPLNMKNMLLBKKI-ZYSHUDEJSA-N 362.469 6.607 30 1 FKEF biogenic CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](CO)C(C)C 95585637 FCFWNUVBSVWFHR-VDZCTEQFSA-N 367.618 6.157 30 1 FKEF CS/C(=C/C(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2s1 95597485 AZJOBSQFNYGKQD-MHWRWJLKSA-N 360.891 5.449 30 1 FKEF CCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 96271301 TXCAIUDLQBAWOY-UHFFFAOYSA-N 358.957 6.930 30 1 FKEF C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587190400 IIOSQQNMZHLCSQ-VIFPVBQESA-N 365.742 5.247 30 1 FKEF N#Cc1ccc2c(C(=O)c3c(C(F)(F)F)ccc(Cl)c3F)coc2c1 587277943 IWJAABLAPAFPRD-UHFFFAOYSA-N 367.685 5.347 30 1 FKEF C#CC=CCCCCCCCCC#CCCC(=O)NCCc1ccccc1 2356629855 SHXHAJNGQUTIEX-UHFFFAOYSA-N 363.545 5.439 30 1 FKEF CC1(C)CCC[C@]2(C)[C@]1(C)CC[C@]1(C)C(C)(C)C(CCO)=CC(=O)[C@]12C 2356739435 APUDWPZTWSYKLP-MOUTVQLLSA-N 360.582 5.933 30 1 FKEF CCCCCCCCCC[C@H]1O[C@@H]1C/C=C\CCCCCCC(=O)O 44221567 CMJHJUSFUKWYHF-VMPLDSKBSA-N 352.559 6.656 30 1 FKEF CCCCCCCCC[C@@H](C)CCC/C(O)=C1\C(=O)[C@H](C)N(C)C1=O 100090409 WGGHNDTUKMWTHN-BOUUCUSLSA-N 351.531 5.175 30 1 FKEF in-vitro C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141923007 FRSPDRIARDOSKB-RSHRDAGFSA-N 359.513 5.463 30 1 FKEF CCCC/C=C\C#CC#CCCCCCCCC[C@@H]1C[C@@H](COC)OC1=O 199769660 LDAWMCULWDOTLF-HFGQRXBSSA-N 372.549 5.439 30 1 FKEF CCCCC1CCC([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 587428559 JZLSMQJYYXHZTC-NKAYCNKTSA-N 367.489 5.092 30 1 FKEF CCCCO[C@@H](COC)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906207 UUDQGTXVMUEBQX-QFIPXVFZSA-N 372.892 5.253 30 1 FKEF O=C1C(=O)c2ccccc2C(O)=C1CCC[C@H]1CC[C@@H]2CCCC[C@@H]2C1 100486334 IFXSMZUKQQEJIZ-YESZJQIVSA-N 352.474 5.498 30 1 FKEF CCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O 197323364 MSEMTQOADPAERG-UHFFFAOYSA-N 350.499 5.956 30 1 FKEF Cc1cc(Cl)cc2c(C#N)c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH]c12 587626401 GGKXOSYUNJGOGL-ZDUSSCGKSA-N 373.884 5.116 30 1 FKEF Cc1ccc(-n2c(C)cc(-c3[nH]c4cc(F)ccc4c3C#N)c2C)cc1C 587636258 UDSNODOMDUGXGX-UHFFFAOYSA-N 357.432 5.870 30 1 FKEF O=C1/C(=C\c2cccc(Br)c2)Sc2ccc(Cl)cc21 1857569793 LKCAINOIEUXISS-VGOFMYFVSA-N 351.652 5.432 30 1 FKEF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC(C)=CCOC(C)=O 2356493807 HSANNLXBHKRHSH-XMGTWHOFSA-N 362.510 5.140 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)[C@H]3CCC(C)=CCCC(C(=O)O)=CC[C@@]3(C)CC[C@H]12 2356628799 FSKFLBQJBSQQKA-LJDQNPOQSA-N 370.577 6.933 30 1 FKEF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)ONCCO 13685186 XNXCXJJVMFVWDO-DOFZRALJSA-N 363.542 5.172 30 1 FKEF in-vivo CC[C@@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OC)=C(C)C1=O 26834053 LOGGQJKQHHSDEV-CACODICTSA-N 356.506 5.506 30 1 FKEF CCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 223077120 PWJCIKPTDVJSCJ-UHFFFAOYSA-N 364.526 5.938 30 1 FKEF in-vitro Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(C#N)cc2[nH]1 587014260 KPMWOCDXQQNBAP-UHFFFAOYSA-N 350.834 5.187 30 1 FKEF N#Cc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1C(F)(F)F 587025365 JAMNAVGYONKTSR-UHFFFAOYSA-N 369.371 5.849 30 1 FKEF C=CCc1ccc(Oc2cc(CC=C)cc(OC)c2OCCC)c(OC)c1 1857584339 YJPWPZUOOFGQNC-UHFFFAOYSA-N 368.473 5.742 30 1 FKEF C=CC(C)(C)c1[nH]c2cccc3c2c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c1ccc(O)c(OC)c1 85910330 IYORFNKPBLVYFD-VLGSPTGOSA-N 361.526 5.147 30 1 FKEF C[C@H](C#N)c1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587189126 YJNQDBFUHWQDOP-MRXNPFEDSA-N 353.425 5.436 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(F)c1Cl 587915389 PEJJSBMCXPGKFW-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF CC1(C)[C@H](CC#N)C[C@@H]1[C@]1(C)c2ccsc2CCN1Cc1ccco1 962704451 HCOVZOPDMUROEX-JJXUHFIVSA-N 354.519 5.191 30 1 FKEF CCCCCCCCC=CCCCCCCCCC=CC#CC#CCO 2356806427 VSYYZUJTRNHBGA-UHFFFAOYSA-N 356.594 6.969 30 1 FKEF C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]12 40847990 IIZXOWSEQGPRRJ-KIZCZYHWSA-N 368.517 5.746 30 1 FKEF O=C1C(=O)c2ccccc2C(O)=C1CCCCCCCC1CCCCC1 100486602 ZBTRLKRXGYNHGP-UHFFFAOYSA-N 354.490 6.032 30 1 FKEF CCCCCCCCCCCCCCCCCCCC[C@H](C)CCCC 118601712 YEIGKGQALVCSKG-AREMUKBSSA-N 366.718 10.245 30 1 FKEF biogenic C=CCc1cccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587051107 XONADMJGDCWAMU-UHFFFAOYSA-N 372.855 6.091 30 1 FKEF Cc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C#N)c(C)n1-c1ccccc1F 587645694 ICMOOUSSMNZOMB-UHFFFAOYSA-N 374.375 5.161 30 1 FKEF CCCCCCCCCC[C@]1(c2ccccn2)NCCc2ccc(O)cc21 963329612 PPHOHLSARFGCMZ-DEOSSOPVSA-N 366.549 5.707 30 1 FKEF Clc1ccc2ccc(/C=C/c3cccc(/C=N/c4ccccc4)c3)nc2c1 1857578549 IKCQUWUKNRWRRH-WSPOYTSVSA-N 368.867 6.809 30 1 FKEF CC=C(C)C(=O)O[C@@H](C)C[C@H]1CCN(C(=O)CCCCCCCCC)C1 2356569506 YPZRRRFUIPYEJJ-VQTJNVASSA-N 365.558 5.264 30 1 FKEF CCCCCCC=CC[C@H](CCC(C)C)CC[C@@H](CCN)CCC(=O)O 2356751463 IKGZORJBSFBHSK-FGZHOGPDSA-N 367.618 6.566 30 1 FKEF CCO/C(O)=C1/C(CC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 103543184 XSKCBWNHKANCCL-OQLSDQBISA-N 353.462 5.084 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(-c2nn[nH]n2)cc1 137908370 HJDIFFHAISXCGC-UHFFFAOYSA-N 358.530 5.947 30 1 FKEF CCCCCCC[C@@H](C(=O)OCC)[C@@]1(C)NCCc2c1sc(C)c2C 963012897 RMQLXEFOJIANNM-GHTZIAJQSA-N 365.583 5.266 30 1 FKEF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2[C@@H]2O[C@@]2(C)CC1 1857652353 DUBKRSFKSZSCBP-GMAHTHKFSA-N 370.489 5.221 30 1 FKEF CC[C@H](C)CCCCCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356819525 FCOCMZBRGLRFTM-ZWKOTPCHSA-N 365.558 5.565 30 1 FKEF CCCCCCCCCCCCCCC(=O)C[C@H]1CC[C@@H](CCCC)O1 85879052 FUJUJVSNBVLYTQ-DNQXCXABSA-N 366.630 7.775 30 1 FKEF biogenic Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)c2coc3cc(C#N)ccc23)o1 587277731 DTSXJYOFSFKTAO-UHFFFAOYSA-N 372.336 5.012 30 1 FKEF CCCCCCCCCCCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587405241 KAXIQHCBXNNFHH-LJQANCHMSA-N 359.554 6.612 30 1 FKEF CC[C@H](C)c1ccc2[nH]c([C@@H]3CCN3C(=O)OC(C)(C)C)c(C#N)c2c1 587643211 RVUUKRCEUCUBIW-UGSOOPFHSA-N 353.466 5.235 30 1 FKEF N#Cc1nc(Cl)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587950775 URJDGYNTAWUIRD-ZHACJKMWSA-N 372.815 5.446 30 1 FKEF CC#CCCCCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587957129 QFSQLDDHUJEJEG-UHFFFAOYSA-N 362.542 6.621 30 1 FKEF CC[C@H](C)C[C@H](C)C[C@@H](C)C=C(C)C1=C(C)C(=O)[C@@](C)(OC(C)=O)O1 2356806363 VSGNCAUKXNGOCW-HFZMZTSTSA-N 350.499 5.184 30 1 FKEF N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccco3)c2c1 13859729 NXXDGTRHCPXFCU-UHFFFAOYSA-N 360.416 6.405 30 1 FKEF C#CCC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CCC#C 28109311 RRIKCRIWFXMSEF-UHFFFAOYSA-N 362.646 5.087 30 1 FKEF CCCCCCCCCCCCC/C=C1/C[C@@](CO)(COCC)OC1=O 34800459 ZPFFKORTIDVBPN-JXAXNMIRSA-N 368.558 5.328 30 1 FKEF CCCCCCCC/C=C\C/C=C\C=C\Sc1ccc(C(=O)OC)cc1 43409053 JCZBKOBMYRONQS-SUEXWYRNSA-N 372.574 7.332 30 1 FKEF C=CC[N+]1(C)[C@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 84619554 XWHJREUWFMMSHD-CNXJLTEQSA-N 371.548 5.460 30 1 FKEF C[C@H](CC#N)[C@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502011 HUVDYAQENNATFA-CMJOXMDJSA-N 363.432 5.115 30 1 FKEF CC#CCCCCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587956926 MGJPAABSJJYFBE-UHFFFAOYSA-N 373.369 5.518 30 1 FKEF C/C(=N\Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c(Cl)c1 1857758256 YEIYDAIVYUZISA-UFFVCSGVSA-N 363.273 5.348 30 1 FKEF COc1c2ccc(OCC=C(C)CC(=O)C=C(C)C)cc2nc2occc12 2356501811 NMXNJAANVQVLGX-UHFFFAOYSA-N 365.429 5.240 30 1 FKEF O=C(/C=C/c1ccccc1Cl)c1cccc(Oc2cccc(O)c2)c1 40974176 QHLDCUQVNAITKM-VAWYXSNFSA-N 350.801 5.734 30 1 FKEF C=C/C(C)=C\C[C@H]1C(=C)C[C@H](OC(C)=O)[C@H]2[C@@](C)(C(=O)OC)CCC[C@]12C 238774215 JMENQAVVDLRQNF-AJRLNIDISA-N 374.521 5.002 30 1 FKEF C=C1CC[C@H]2/C(C)=C\C[C@H]3[C@@H](C(C)C)[C@H](O)C[C@]3(C)C/C=C(\C)CC[C@@H]12 238788371 XFTVUNNLOZHXIM-MMRPYKGKSA-N 356.594 6.695 30 1 FKEF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C#N)cc3[nH]2)c1 587241318 UCNWHXGMTLCFQO-UHFFFAOYSA-N 353.429 5.044 30 1 FKEF CC[C@H](C)c1ccc2[nH]c([C@H]3CCN3C(=O)OC(C)(C)C)c(C#N)c2c1 587643209 RVUUKRCEUCUBIW-SCLBCKFNSA-N 353.466 5.235 30 1 FKEF CCCCCCCCC/C(=N\O)c1cc(-c2ccc(O)c(F)c2)ccc1O 1857770573 SBWHZIDFKFKZCV-HIXSDJFHSA-N 373.468 6.223 30 1 FKEF CCCCCCCCCCCCC=CCCCCCCCCC(=O)OC 2356307212 PJFKRNJZVZIYBM-UHFFFAOYSA-N 366.630 8.147 30 1 FKEF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C)=CC[C@H]12 2356802665 SNIGTACYIZZBCS-JBRFXWQVSA-N 354.578 6.903 30 1 FKEF C=C(C)CC[C@]1(C)C2=CCC[C@](C)(C[C@@H](O)c3ccoc3)[C@H]2CC[C@H]1C 28826880 NAQMVJXNLLINDP-GGXKXWDKSA-N 356.550 6.838 30 1 FKEF C[C@@H](/N=C(\S)NCc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 29473973 UFCPQKIBKWTZRQ-CQSZACIVSA-N 371.506 5.029 30 1 FKEF CCCCCC/C=C\CCCCCCCc1cc(O)cc(O)c1C(=O)O 44430866 ACSAQPSTIMIXGH-FPLPWBNLSA-N 362.510 6.206 30 1 FKEF CON=C1[C@H]2CC(C)C[C@@H]1[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 49033789 SMZOFVGUOFNQSQ-LMFASAPVSA-N 370.443 5.015 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C(CNC3(C)CCCC3)C23CCCC3)C1 85550173 RJOBPFMLZQOVBA-PXDATVDWSA-N 367.621 7.108 30 1 FKEF biogenic,in-vitro CCCCCC/C=C\CCCCCCCCCc1cc(OC)cc(OC)c1 136834245 RHNOVGQCBCXKQI-KTKRTIGZSA-N 374.609 7.894 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1nc2ccc(Cl)cc2[nH]1 299823841 BENIKIXHKBSOPC-GFCCVEGCSA-N 370.861 5.225 30 1 FKEF Fc1cc(C(F)(F)F)c2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1 587096722 AWJKGSJFZBBQDS-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1Oc1ccccc1F 587916056 BIZIQIVZZJTMHI-UHFFFAOYSA-N 352.792 5.680 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@@H]3CCCO)s2)s1 2356357562 SHZNWUJGCWLQOJ-GDBMZVCRSA-N 358.528 5.220 30 1 FKEF CC=CC1=CC2=CC(=O)[C@]3(C)O[C@](CCCCCCC)(OC)C[C@@H]3C2=CO1 2356546102 ACLSAOLGJZSVPQ-MZYLBHOOSA-N 372.505 5.368 30 1 FKEF CC(C)(C)c1ccc(C(C)(C)C)c(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1 27898422 ZOKVLYMTANLSLR-NTEUORMPSA-N 364.485 5.876 30 1 FKEF CCCCCCCCCCCCCCCC[C@]1(O)C[N+](C)(C)CCO1 36079850 YEQJDGNZWPTPII-JOCHJYFZSA-N 356.615 5.653 30 1 FKEF CCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(C#N)c1 45228392 WSZFOZFNYAOOEC-GOSISDBHSA-N 362.517 5.687 30 1 FKEF COc1ccc(-c2cc(N3CCCCC3)c(C#N)c(-c3ccccc3)n2)cc1 96932225 DWRUNZAIXLCFIP-UHFFFAOYSA-N 369.468 5.286 30 1 FKEF O/N=C1/CCc2cc(Nc3c(-c4cccnc4)sc4cnccc34)ccc21 102824077 SAEHKXIWYZQNCR-BWAHOGKJSA-N 372.453 5.226 30 1 FKEF C=CCc1cccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c12 586977024 LXLAWLBRNMRQOH-LUAWRHEFSA-N 369.262 5.233 30 1 FKEF C=CCc1c(-c2ccco2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101943 RNNGXJXOLUNJMX-UHFFFAOYSA-N 351.405 5.743 30 1 FKEF COc1cc(/C=C\C(=O)c2coc3ccc(Cl)cc23)cc(OC)c1OC 587276480 QRLCNEIEIJJQTG-XQRVVYSFSA-N 372.804 5.008 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(N)cc1C(F)(F)F 587913971 QYOBUIMRXAYZTO-UHFFFAOYSA-N 360.162 5.003 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CCC[C@@H]3CCCO)s2)s1 2356357569 SHZNWUJGCWLQOJ-ZBFHGGJFSA-N 358.528 5.220 30 1 FKEF C=CCc1cc(Oc2ccccc2)ccc1OCCO[C@@H]1CCCCO1 27311607 CVHRYLANZQEBRT-JOCHJYFZSA-N 354.446 5.129 30 1 FKEF CN1[C@@H]2CC[C@@H]1CC(=NO[C@@H](Cc1ccccc1)c1ccc(Cl)cc1)C2 101998773 DYSNSNPTBCOPJB-VSKRKVRLSA-N 368.908 5.253 30 1 FKEF N#CCCC[C@@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963105443 QMJBSOJSMJSWRX-RBBKRZOGSA-N 368.883 5.437 30 1 FKEF CC[C@H](C)C[C@H](C)C[C@H](C)C=C(C)C1=C(C)C(=O)[C@@](C)(OC(C)=O)O1 2356806366 VSGNCAUKXNGOCW-ZYKFEASCSA-N 350.499 5.184 30 1 FKEF CCCCCCCCCCCCCCC1=C(O)C(=O)c2ccccc2C1=O 43328013 YGQWEUDRYRXZLN-UHFFFAOYSA-N 370.533 6.969 30 1 FKEF COc1ccc(C(=O)/C=C/C=C(\Cl)c2cccc(Cl)c2)c(OC)c1 45367225 PTMYICARZVNGIR-RLAYKJGGSA-N 363.240 5.376 30 1 FKEF N#Cc1c(-c2ccc(-c3ccccc3Cl)cc2)nc2ccncc2c1O 73312687 JFDJLEXDQBPRLE-UHFFFAOYSA-N 357.800 5.194 30 1 FKEF C=C1[C@H]2CC[C@](C(=O)CCc3ccccc3)([C@@H]2OC)[C@]1(C)C1CCCC1 85546587 XELMFKCJQTWXBI-AZOUXBGGSA-N 352.518 5.366 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 85613188 GEGHXTKFDOJTMY-JQIJEIRASA-N 362.510 5.965 30 1 FKEF CCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCCC 86001426 UTABNNBRPUDDNU-DHIUTWEWSA-N 356.635 7.160 30 1 FKEF endogenous,in-man C=CCCCCC[C@H](OC(C)=O)[C@H](C/C=C\C/C=C\CC)OC(C)=O 238748373 IYBHZAIQDKSHHC-WYZRNZGCSA-N 350.499 5.289 30 1 FKEF N#Cc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1C#N 587164211 OSOUYSHRYIVUMR-CAOOACKPSA-N 370.412 5.096 30 1 FKEF N#Cc1c(-c2ccccc2OC(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587630245 WXHUJUYXLZXHKU-UHFFFAOYSA-N 354.690 5.398 30 1 FKEF COc1ccc(/C=C(\C)C(=O)/C=C/c2ccccc2Br)cc1 653865380 YOBUATDIMIVFOE-KAQIVPQOSA-N 357.247 5.144 30 1 FKEF CCCCCCCCCCCCCC1=C(O)C(=O)c2ccccc2C1=O 43328141 YTQADTWWOHPLQK-UHFFFAOYSA-N 356.506 6.579 30 1 FKEF CCCCCCC[C@H](O)CCC[C@@H](CCCCCCC(=O)O)C(C)=O 59902807 CTAWNNLCPLSSPB-UXHICEINSA-N 356.547 5.509 30 1 FKEF CCCCCCCCC1=C(Br)/C(=C/Br)OC1=O 64491853 DPFWUVUDKMGIOZ-LUAWRHEFSA-N 366.093 5.179 30 1 FKEF CC(C)=CC/C(C)=C\COc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1 95486055 REEMJBTWJYZJID-JBORUVGQSA-N 362.469 5.970 30 1 FKEF biogenic,in-vitro C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@H](O)[C@H]4C(CO)=CC[C@H]3[C@H]12 101637099 GFUBBDUOFRQHPV-NQTVBVAHSA-N 372.593 5.357 30 1 FKEF C[C@H]1/C(=N\OCc2ccccc2)C[C@H](c2ccccc2)O[C@H]1c1ccccc1 195358750 DAMINAFEYWJFDP-LDNFJDLYSA-N 371.480 6.098 30 1 FKEF C=CCn1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c2ccccc21 587475323 MEDQLDATGGOKJX-QFIPXVFZSA-N 361.441 5.192 30 1 FKEF C[C@H](C#N)C[C@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507160 UQYMWQWOFQQOPC-NPMXOYFQSA-N 363.432 5.115 30 1 FKEF Cc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625158 ARHCJYPMZIHZAF-UHFFFAOYSA-N 361.260 6.320 30 1 FKEF CC(C)(C)Sc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cn1 587921748 WOBLVTLZNZRABT-UHFFFAOYSA-N 351.500 5.634 30 1 FKEF COc1ccc([C@H](c2ccccc2)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 587931613 BOUIXOJIXBSGDJ-FQEVSTJZSA-N 373.843 5.277 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N(C)CCC[N+](C)(C)C 96906281 SPXSHQGSQZVZDZ-UHFFFAOYSA-N 369.658 6.022 30 1 FKEF CON=C1[C@H]2C[C@@H](C)C[C@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 253809588 SMZOFVGUOFNQSQ-FEKYKSCKSA-N 370.443 5.015 30 1 FKEF CC(C)c1cccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587875555 XLWOAZNKRLIDCI-UHFFFAOYSA-N 374.311 5.022 30 1 FKEF O=C1C(=O)c2ncccc2C(O)=C1CCCCCCCCC1CCCCC1 27655079 CJYQJKWQCWZNAG-UHFFFAOYSA-N 369.505 5.817 30 1 FKEF CCCCCCCCCCCCCCCCSCC[n+]1ccccc1 43226437 QVOIGIAKWVYGSN-UHFFFAOYSA-N 364.663 7.189 30 1 FKEF C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(c4cccnc4)=CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 141055603 GHGLIXGFMKZRSD-PKYJYQBJSA-N 359.513 5.629 30 1 FKEF CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1ccc(C)cc1)N[C@@H]2c1ccc(C)cc1 169336599 SYTQKDUUDPBAEW-IKAJFEDTSA-N 362.517 5.498 30 1 FKEF C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1[C@@H]1OC(=O)C3=C(C)OC(C)(C)[C@@H]4CC[C@]12[C@@H]34 169453579 QATHFSXCKTWEAB-MTZBETKZSA-N 368.517 5.330 30 1 FKEF CCC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccc(Cl)cc1 473247743 GUFDTQQVJZARFG-IBGZPJMESA-N 368.889 5.616 30 1 FKEF C[C@@]1(c2cccc(N=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573822 DGBGRBIBGRFLAA-NQIIRXRSSA-N 373.368 5.211 30 1 FKEF CCCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818576 ISBYRLCIROSQQU-KUHUBIRLSA-N 370.350 6.304 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c2nccc(Cl)c2c1 587909473 XOMWCXMUMQCNMR-UHFFFAOYSA-N 362.643 5.603 30 1 FKEF Cc1nc(NN=C2CCN(C)CC2)sc1/N=N/c1cccc(Cl)c1 1857638685 NJQXPOALIVYQQN-QZQOTICOSA-N 362.890 5.014 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC([C@@]34C=C[C@@H]5CC[C@@H](CC3)[C@@]5(C)N4)=CC(C)=C2C1 2356369418 FNBQIAPRYNPZHU-XDPKXZBRSA-N 363.589 6.492 30 1 FKEF CCCCCCCCCC[C@@H]1[C@@H]2C=C[C@H]3[C@H]4[C@H](C=C[C@H]3C(=O)OC)C[C@@H]1[C@H]24 2356664788 ILBLNWRALCTWGL-FHCRMFJYSA-N 370.577 6.177 30 1 FKEF C=C[C@H](C)[C@@](C)(N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 64436567 IKTLSRHNGRWPJH-GQSGTGHFSA-N 371.609 5.466 30 1 FKEF Cc1ccc(-c2c(C#N)c(N)c(C#N)c3c2S[C@@H](c2ccccc2)C3)cc1 95604496 CSPYCGAVQKOSCQ-HXUWFJFHSA-N 367.477 5.377 30 1 FKEF CCCCCCCCC1=C(O)C(=O)C(CCCCCCCC)=C(O)C1=O 169336142 HFRBUUJSTKQBRP-UHFFFAOYSA-N 364.526 6.264 30 1 FKEF C=CCc1cccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c12 587935618 PJGAKMKMBKNDGZ-UHFFFAOYSA-N 358.485 5.550 30 1 FKEF N=C(C[C@H](O)c1cc2ccccc2c2ccccc12)NN=C1CCCCCC1 1772614604 XVGVDQPFXGSJNO-QHCPKHFHSA-N 373.500 5.694 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC=C(C)CCC=C(C)CCC=C(C)C[C@H]1OC 2356748431 FGDIMNAMJBFDNJ-CLJLJLNGSA-N 370.621 8.113 30 1 FKEF C=CCN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 28760606 UIJGDDLZLPAKPR-SANMLTNESA-N 368.524 5.247 30 1 FKEF CCCCCCCCCCNC(=O)NC(C)(C(F)(F)F)C(F)(F)F 68573359 PVFRCEUSWUHFQA-UHFFFAOYSA-N 364.374 5.310 30 1 FKEF biogenic COc1cc(OC)c2c(c1)O/C(=C\c1ccc(C3CCCCC3)cc1)C2=O 72106786 ZGGWCYUEHPMSJT-MTJSOVHGSA-N 364.441 5.368 30 1 FKEF O=C1CCCC2=C1[C@@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 102851218 FOXNCLKAQGPSAN-PKTZIBPZSA-N 374.461 5.405 30 1 FKEF COC1=CC(=O)C(O)=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]2CCCC3(C)C)C1=O 105384982 ZMWPUCGPHZVIMQ-DENKBBGASA-N 374.521 5.140 30 1 FKEF CCCCCCCOc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1 254134008 HMKNNLCYZBPBAA-AFARHQOCSA-N 360.606 6.548 30 1 FKEF CCCCCCCCCCCCCCC(=O)c1coc2cc(C#N)ccc12 587278825 MDQWIZHQQLILRZ-UHFFFAOYSA-N 367.533 7.578 30 1 FKEF C=C(CC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884383 KIPWKCZTDQAQSJ-UHFFFAOYSA-N 372.295 5.127 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1-c1nc2ccccc2n1C 587901457 DFQQBBHWBJSDQP-UHFFFAOYSA-N 372.855 5.302 30 1 FKEF N#Cc1c(-c2cccc3ccccc23)cc(-c2ccc3ccccc3c2)nc1N 1772648666 KEDFCHGIPIKTQY-UHFFFAOYSA-N 371.443 6.176 30 1 FKEF CCCCCCCCCCCCC=CCC(=O)C1=C(O)C[C@H](O)CC1=O 2356372101 YEFDDSMURKQPEL-SFHVURJKSA-N 364.526 5.349 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N[C@@H](CC)C(=O)OC 2356795817 MMJNWDXFGZQTMI-IBGZPJMESA-N 355.563 5.536 30 1 FKEF CCC(=O)Nc1ccc(N[C@@H](C#N)c2cccc(Oc3ccccc3)c2)cc1 1660502 BIMFOHNJASKBNW-QFIPXVFZSA-N 371.440 5.504 30 1 FKEF CCCCCCCCCC[C@@H]1O[C@H]1C/C=C\CCCCCCC(=O)O 44221563 CMJHJUSFUKWYHF-CEIWSWJASA-N 352.559 6.656 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCCCCCCC=O 85617660 FOJRCTPWZIJOIP-KTKRTIGZSA-N 350.631 8.563 30 1 FKEF Cc1ccc2ccccc2c1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 586884616 VGNXHTLMWFNXMF-UHFFFAOYSA-N 351.331 5.582 30 1 FKEF CCCCCCCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587207789 VWSQNDDPVWAKLZ-UHFFFAOYSA-N 357.497 6.739 30 1 FKEF CCCCO/N=C(\C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 1857768022 LAMDHEQCZZRWLN-MUPDODCCSA-N 357.494 5.544 30 1 FKEF COC1=C(C)C(=O)[C@@]2(CC=C(CCC=C(C)C)C[C@@H]2C(C)C)C(=O)C1(C)C 2356746196 BZYZIWKMUTYFDN-DVECYGJZSA-N 372.549 5.810 30 1 FKEF C[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC3 2356867491 WSGABYGALSWQQJ-KRPRTHGISA-N 370.577 5.709 30 1 FKEF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(/C=N\O)c2c1 28651279 MQXLOSFAJJTEPR-MSXFZWOLSA-N 360.379 6.004 30 1 FKEF Cc1cccc(C)c1Nc1c(-c2ccccc2)c(C#N)c2cccc(Cl)n12 40567268 SHSCCXUUKFSOGS-UHFFFAOYSA-N 371.871 6.492 30 1 FKEF CCCCCCCCCCCCN1C(=O)/C(=C/C(=O)OC)c2ccccc21 49881435 TWGIQFJNSRSFHH-CZIZESTLSA-N 371.521 5.511 30 1 FKEF COc1ccc(/C=C/C(=O)c2ccc(/C=C/c3ccccc3)cc2)cc1OC 73199235 ZLLMOKUFZBDFTR-LFZNACJFSA-N 370.448 5.770 30 1 FKEF C=CCc1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1 103169624 JYAWMXFJEISIJE-JXMROGBWSA-N 363.240 5.349 30 1 FKEF CC1(C)CCc2cc([C@@H](C#Cc3ccccc3)N3CCCCC3)ccc2O1 103208403 LIEJLSXSUOOPBN-HSZRJFAPSA-N 359.513 5.369 30 1 FKEF CCCCCCCCCCCCCCOC(=O)NC(=O)c1csnn1 103213566 OJVKGUZJUWLVFO-UHFFFAOYSA-N 369.531 5.106 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1ccccc1C(F)(F)F 299825158 DAHSCWXSVLGXOZ-CYBMUJFWSA-N 364.388 5.714 30 1 FKEF C=CCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586991866 RCZYFMCCFJQEFR-UHFFFAOYSA-N 371.480 6.221 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2cc(C(F)(F)F)ccc2c1 587913751 FTVUUUHHXATXKI-UHFFFAOYSA-N 360.762 5.920 30 1 FKEF Cn1cccc1CN1CCc2sccc2[C@H]1C1(CCC#N)CCCCC1 962372828 JZOFECTUSJAZCU-NRFANRHFSA-N 367.562 5.440 30 1 FKEF C=C(C)[C@]1(C)CC[C@H]2[C@]3(CC)CC[C@@H](O)C(CC)(CC)[C@H]3CC[C@]2(CC)C1 2356501251 SJVDEZBDRHOHIN-XQYJRPLHSA-N 374.653 7.533 30 1 FKEF N#Cc1ccc(Cn2ccnc2)cc1Sc1ccc(Cl)cc1Cl 585798 JRTOBKVVIBBEQD-UHFFFAOYSA-N 360.269 5.261 30 1 FKEF C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(ccc3c1[nH]c1c(OC)cc(C)cc13)O2 14611179 LPHYHFLDNXJCGX-HGDBAGAISA-N 361.485 6.249 30 1 FKEF CCCCCCCCCCCCCCCCNc1cccc(C(=O)O)c1 43599716 BBSGKRZCCPTXTC-UHFFFAOYSA-N 361.570 7.278 30 1 FKEF N#CCC[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49015663 PLHSBHYVGMRRQD-NRFANRHFSA-N 367.880 5.209 30 1 FKEF CCc1ccc(/C=C2\CCC3=CC4(CC[C@]3(C)C2=O)SCCS4)cc1 71316009 TVRWCRNFAMCNOQ-TVADFSRQSA-N 370.583 5.898 30 1 FKEF C=C/C=C/CCCCCCCCCCCCC/C=C/CCCCCCCC 85831567 ALOCDLUUNKDQHB-ZYBFQLKJSA-N 374.697 10.107 30 1 FKEF CON=C(c1cc(C)ns1)c1ccccc1COc1cc(C)ccc1C 472780310 BJVINCLCPHCMBD-UHFFFAOYSA-N 366.486 5.046 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(C)cc(C)c(Br)c1C 587900599 SWXANHMMVHNKHT-UHFFFAOYSA-N 363.682 5.436 30 1 FKEF O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1ccc(-n2cccc2)cc1 653809977 FVCPXUAPPKLMMV-LFIBNONCSA-N 365.432 6.166 30 1 FKEF CCCCCC=CCCCCCCCCC(=O)C1=C(O)CC[C@H](O)C1=O 2356484443 URQIXKBPBUXBHD-FQEVSTJZSA-N 364.526 5.349 30 1 FKEF C[C@H](C=O)CCCCCC[C@@H](CCCC=CC(=O)O)Cc1ccccc1 2356684366 QFHJXWNOPQMWPO-SFTDATJTSA-N 358.522 5.832 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](O)CC1=CC(=O)OC1 2356797532 OAYMEFORXFABDF-NRFANRHFSA-N 352.559 6.092 30 1 FKEF C=C1c2ccccc2O[C@H](C(=O)OCC)[C@@H]1CC(C)(C)c1ccccc1 13814658 RHEWMJYQLJYMCG-CTNGQTDRSA-N 350.458 5.008 30 1 FKEF CN[C@H]1CC=C2CC3=CC[C@]4(C)C(C(C)=O)=CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C 38987487 ZISLXYPNMCQAMV-QZJHCZKLSA-N 367.577 5.609 30 1 FKEF CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)[nH]c(=O)c2C#N)cc1 49124559 ILFFOLYUJUJOTM-UHFFFAOYSA-N 368.480 5.583 30 1 FKEF CCn1nc(-c2ccccc2)c(C#N)c1CCc1cccc2ccccc12 49784988 SYCUYUTXCSSAPJ-UHFFFAOYSA-N 351.453 5.380 30 1 FKEF N#Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4CF)ccc3c2)cc1 28901276 CDUGTNJEBHPKQS-DEOSSOPVSA-N 358.460 5.355 30 1 FKEF Oc1ccc(/C(Cc2ccc(Cl)cc2)=N\c2ccc(Cl)cc2)cc1O 49046309 NYSAOOPYRGUJLI-NKFKGCMQSA-N 372.251 5.768 30 1 FKEF CC#C[C@H](CC(=O)O)c1ccc(Oc2cccc(-c3ccccc3)c2)cc1 73196083 MQIUXRHHFDVXQN-HXUWFJFHSA-N 356.421 5.728 30 1 FKEF CCCc1c(O)ccc2c1O[C@](C[C@@H](C)C#N)(c1cccc(C)c1)CC2=O 587467125 CQEDFSQZTIVEDA-MWTRTKDXSA-N 363.457 5.064 30 1 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PNEOFQRNMJSTMT-VWLOTQADSA-N 373.625 6.149 30 1 FKEF C=C1C[C@@H]2[C@H](CC[C@]3(C)C(c4cccnc4)=CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 141017621 ITYSZDRJZWFZBA-WRUJZFPBSA-N 357.497 5.549 30 1 FKEF COc1cc(/C=C/C(=O)c2coc3ccc(Cl)cc23)cc(OC)c1OC 587276479 QRLCNEIEIJJQTG-GQCTYLIASA-N 372.804 5.008 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)ncn2Cc1ccccc1 587907974 YLVUHVDDBDHTHQ-UHFFFAOYSA-N 372.855 5.146 30 1 FKEF CCCCCCCCN(C)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 60043765 DUUAFLBDYGZOSX-UHFFFAOYSA-N 369.593 6.831 30 1 FKEF CCCCCCCCCCCCCCC[C@@H](O)CC(=O)c1ccccc1 85773077 AESWPUVMLJHDRW-HSZRJFAPSA-N 360.582 7.102 30 1 FKEF endogenous,in-man C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(c4cccnc4)=CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 141055788 GHGLIXGFMKZRSD-QXHKIIHHSA-N 359.513 5.629 30 1 FKEF C=CCOC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=C[C@H]1c1ccccc1 169348106 FORZUEOUMKFCCC-IBGZPJMESA-N 365.860 5.071 30 1 FKEF CCCC(Br)(CCC)c1nc2cc(C#N)cc(Cl)c2[nH]1 586971812 YDBRLMQCDJUYSC-UHFFFAOYSA-N 354.679 5.278 30 1 FKEF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1ccc2oncc2c1 963192001 PMVJXSARAAYRQM-LADGPHEKSA-N 365.436 5.040 30 1 FKEF CCCCCCCn1cnc2c3c(c4ccccc4c21)OC(C)(C)CC3 1857765253 QYGWEAJOMSTHBA-UHFFFAOYSA-N 350.506 6.264 30 1 FKEF N#CC(C#N)[C@@H]1CCC=C(Sc2ccccc2)[C@H]1Sc1ccccc1 3598115 JLYRTIDIMWSLGV-FPOVZHCZSA-N 362.523 5.897 30 1 FKEF C=CCO[C@H](C)C1=CC(C)(C)Nc2ccc(-c3cc(F)ccc3OC)cc21 13975734 SSAMEZHVGWGDGH-OAHLLOKOSA-N 367.464 5.680 30 1 FKEF CCO/C=N\c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1 17252025 DORQLBNDVSFHRP-OYKKKHCWSA-N 363.848 5.674 30 1 FKEF CCN(CC)c1ccc(C(=O)c2cc(C#N)c3ccc4ccccc4n23)cc1 40866843 VZRSNWHIGLNJCJ-UHFFFAOYSA-N 367.452 5.041 30 1 FKEF CCCCCCCCCCCCCCCCCC[C@H](C)C[C@@H](C)C(=O)O 85642719 QYNTVLCDAYKUMH-XZOQPEGZSA-N 368.646 8.385 30 1 FKEF biogenic COc1ccc([C@@H]2CC(=O)C(Sc3ccccc3Cl)=C(O)C2)cc1 299826857 IGLGIYOYJICTQD-ZDUSSCGKSA-N 360.862 5.357 30 1 FKEF Fc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110131 NXXVGHJWCMWRAH-UHFFFAOYSA-N 362.248 5.330 30 1 FKEF C#CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC=C 587524464 REJDOXWBPDZAOL-XMMPIXPASA-N 372.464 5.012 30 1 FKEF CCCCCCC[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809535 AKYOXPRVIQDICP-LIRRHRJNSA-N 370.350 6.088 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)c(OC(C)C)c(Cl)c1 587915120 KUELEAXBHIKGGY-UHFFFAOYSA-N 353.220 5.328 30 1 FKEF COc1ccccc1[C@@]1(CCC#N)NCCc2cccc(-c3ccccc3)c21 962670247 REDHVYLFHWTPJN-RUZDIDTESA-N 368.480 5.055 30 1 FKEF O=C1C(Cl)=C[C@@]2(NCCc3cc(-c4ccccc4)ccc32)c2ccccc21 962675420 XAKZEBNJYCWKRT-DEOSSOPVSA-N 371.867 5.062 30 1 FKEF C=C1C=CC(C)(C)[C@@H](OC(=O)c2ccc(O)c(OC)c2)CCC(C)=CCC1 2356769073 WCPPMAAKIAIVQU-NRFANRHFSA-N 370.489 5.585 30 1 FKEF C=C([C@@H]1CC[C@](C)(O)[C@@H]2CC[C@](C)(O)[C@@H]2C1)[C@@H]1CCCCC12CCCC2 2356769330 BJIYTQALWHFTJM-AJIIZAQNSA-N 360.582 5.622 30 1 FKEF CC[C@@H](C)C(=O)C1=C(O)C2=C(O[C@](C)(CCC=C(C)C)C=C2)C(C)(C)C1=O 40973984 ZNBKWHSUBCVVCC-IQMFZBJNSA-N 372.505 5.368 30 1 FKEF biogenic CCCCCCCOc1ccc(NC(=O)O/N=C/c2ccccc2)cc1 49757467 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C=CCc1cc(/C=N/c2ccccc2)c(O)c(-c2ccc(O)c(CC=C)c2)c1 43076717 VJABHFNRDJIXCG-YZSQISJMSA-N 369.464 5.972 30 1 FKEF CCCCCCCCCC/C=C/CCCNc1ccc(C(=O)OCC)cc1 43705910 DDHYCNYOOAGTDM-BUHFOSPRSA-N 373.581 7.142 30 1 FKEF Cc1ccccc1SC1=C(O)OC2(CCC(C(C)(C)C)CC2)CC1=O 49933189 QIXRZXQDHAWJPS-UHFFFAOYSA-N 360.519 5.779 30 1 FKEF CCOc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1OCC 73258520 AWFPSQVDLZJKHO-UKTHLTGXSA-N 362.425 5.239 30 1 FKEF CC(C)/C(=N/c1ccnc2cc(Cl)ccc12)NCCCN1CCCCC1 299857302 FFULQGIDNRRBAG-UHFFFAOYSA-N 372.944 5.040 30 1 FKEF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 587070380 SSRQFDNRRPKDEG-JTQLQIEISA-N 358.228 5.118 30 1 FKEF CCCCCCCCC[C@H](C)C[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587479233 CNHVBOMTLYHKFM-OALUTQOASA-N 374.565 6.845 30 1 FKEF Cc1ccccc1[C@@H](C#N)c1[nH]c2cc(F)ccc2c1Cc1ccccc1 587635993 WIZFGQREBYAQEY-JOCHJYFZSA-N 354.428 5.862 30 1 FKEF CC(C)[C@@H]1CC[C@]2(C)CCC[C@H](C=O)[C@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356500090 NLJASCRUZYABSR-BMRYZAIJSA-N 368.517 5.299 30 1 FKEF CC(=O)O[C@]1(C)CCCC(C)=CCC[C@@]2(C)O[C@@H]2C(=O)C(=C(C)C)CC1 2356532613 QRIAHPSWAQTBHB-YPAWHYETSA-N 362.510 5.062 30 1 FKEF CCCC(=O)C1=C(O)[C@@H](c2cccc(Oc3ccccc3)c2)CCC1=O 101491264 ZZBMANATOQPDDC-GOSISDBHSA-N 350.414 5.107 30 3 FKEF CCCCCCCCCCCCCCCCOC(=O)NC1CCCCC1 49756382 NKPNEOYKZGDTHM-UHFFFAOYSA-N 367.618 7.527 30 1 FKEF CCCCCCCCCCCC[S@](=O)c1ccccc1[S@@](C)=O 71295527 IBHSISCEEJUVIT-XZOQPEGZSA-N 356.597 5.453 30 1 FKEF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C#C[Si](C)(C)C)cc2)N1 962956830 NLPKQWRDKVBFPS-CVDCTZTESA-N 372.588 5.411 30 1 FKEF CCC1=C[C@H]2CC[C@@]34C[C@]35CC[C@H](NC)C(C)(C)[C@@H]5C=C[C@H]4[C@]2(C)CC1=O 1857535609 VXXNRLRPMWBDDP-DOSVLIAFSA-N 367.577 5.299 30 1 FKEF C[C@@H](CCC=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356641163 GKTDPIQLKVFPBU-LQOSWJIFSA-N 358.566 5.542 30 1 FKEF C[C@@H](O)CCCCCC=CC(=O)CCc1ccc(O)c(OC2CCCC2)c1 2356769672 KYQQRMLMPLYBKY-GOSISDBHSA-N 374.521 5.103 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)C(C)C 43207521 FCFWNUVBSVWFHR-SSSWZJSRSA-N 367.618 6.157 30 1 FKEF CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1 66098641 LQPUNUIMIHGZEE-UHFFFAOYSA-N 364.404 5.516 30 1 FKEF CCC(C)(C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1 72102454 GXDYSJOMTCSDOS-UHFFFAOYSA-N 355.482 5.220 30 1 FKEF CCCCCCCCCCCCc1cn(Cc2cccc(OC)c2)nn1 84619169 OGUGJAZDCZHNHC-UHFFFAOYSA-N 357.542 5.798 30 1 FKEF CCCCCCCCCCCCCC(CCCCCC)CCCCCC 100304563 JRLUJYJPNVXXKS-UHFFFAOYSA-N 366.718 10.245 30 1 FKEF biogenic C[C@@H]1/C(=N\OCc2ccccc2)C[C@@H](c2ccccc2)O[C@@H]1c1ccccc1 101840787 DAMINAFEYWJFDP-URZIKWDTSA-N 371.480 6.098 30 1 FKEF CCCCCCCC(=O)OCC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1 103205293 CJIZABRKRHGRDE-RBBKRZOGSA-N 374.477 5.268 30 1 FKEF C=C(CCC=C(C)C)[C@H]1C/C=C(\C)CC/C=C(/C(=O)O)CC/C=C(\C)CC1 238751653 HJOWIGBOCUVVEY-MYQGESMMSA-N 370.577 7.553 30 1 FKEF Cc1c(-c2ccccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625633 KUKHMKWUSCPKTK-UHFFFAOYSA-N 361.260 6.320 30 1 FKEF O=C[C@H](SCc1ccccc1)[C@H]1NCCc2cc(-c3ccccc3)ccc21 962662619 FCXRPXCIGIYGCQ-ZEQRLZLVSA-N 373.521 5.041 30 1 FKEF C[C@@H]1C[C@@H]1c1ccc([C@@H]2c3ccccc3CCN2[C@H](C#N)c2ccccc2)o1 963192984 JPEQHVVDFLMDDH-GUJWQKPFSA-N 368.480 5.615 30 1 FKEF CCCCCCCCCCCCC/C=C1/CO[C@@](CO)(COC(C)=O)C1 34800462 HMTDLPGFCMYTID-VAZXNAHHSA-N 368.558 5.328 30 1 FKEF CCCCCCCCCCSc1ncnc2c1ncn2C1CCCC1 95602074 LOMVMWDEUHCALJ-UHFFFAOYSA-N 360.571 6.174 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C(C)=O)cc2)cc1 587906894 YEHSLECOOPFGCT-UHFFFAOYSA-N 360.840 5.618 30 1 FKEF Nc1cccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1 1857587581 LTTABEWHVJPRBP-QFIPXVFZSA-N 356.450 5.135 30 1 FKEF C=C1[C@@H](C)CCC[C@@]1(C)CCC(C)=CCC1=C(OC)C(=O)C=C(OC)C1=O 2356471846 AZBHZNBFRZPJFT-HJPURHCSSA-N 372.505 5.068 30 1 FKEF CCCCCCCCCCCC=CC[C@H](O)COC[C@H]1COC(C)(C)O1 2356543363 OIDMHVREMLCFQV-SFTDATJTSA-N 370.574 5.383 30 1 FKEF C=C(C(=O)O)[C@@H]1CC[C@@H](CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1 5924198 IFDPWHHQIPWEFF-LNGGPDAZSA-N 374.565 6.622 30 1 FKEF N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1 28340922 RBQKYBPWMXOKNC-UHFFFAOYSA-N 373.359 5.008 30 1 FKEF COc1cccc(/C=N/c2ccc(NC(=S)Nc3ccccc3)cc2)c1 72178531 MMNGIFODHLXPCK-PXLXIMEGSA-N 361.470 5.255 30 1 FKEF CCCCCCCCCCc1c(C)c2ccc(NC(C)=O)cc2oc1=O 73293352 MEOCUOMXVKASML-UHFFFAOYSA-N 357.494 5.743 30 1 FKEF C=CCn1c(-c2ccccc2)cs/c1=N\N=C\C=C\c1cccs1 169338316 TVMAPVPXCPTMCA-HSRLWUEKSA-N 351.500 5.064 30 1 FKEF CCN(CC)CCCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 299827121 OWMPRCQDWQPQGC-QGOAFFKASA-N 365.517 5.474 30 1 FKEF CCCCCCCCn1ccc2cc(OCCN3CCCCCC3)ccc21 1857748306 KLBSJWJNCFPPOH-UHFFFAOYSA-N 370.581 6.257 30 1 FKEF CC(C)=CCc1c(O)c(C(=O)C=Cc2ccccc2)cc2c1OC(C)(C)C=C2 2356392220 UKLAAWWFUMSUTQ-UHFFFAOYSA-N 374.480 5.981 30 1 FKEF CCCCCCCCCCCCCCCCC1=C(C(=O)O)C=C[CH]N1C 2356835752 USDZXPNWXFZAGD-UHFFFAOYSA-N 362.578 6.860 30 1 FKEF C=CC[C@H]1Cc2c(c3ccccc3c3nc4ccccc4nc23)OC1(C)C 40466760 XRHUQKZDFXUADD-HNNXBMFYSA-N 354.453 5.842 30 1 FKEF Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)nc3ccnn23)c(C)c1 169308819 IYCQWQGKUDDQGF-UHFFFAOYSA-N 369.428 5.062 30 1 FKEF CCCCCCCCCCN1C=CC(=C/C=C2\C=Nc3ccccc32)C=C1 367722008 MWFDWMVXDLDNQN-HZHRSRAPSA-N 360.545 7.196 30 1 FKEF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C#N)cccc4[nH]3)c21 587030228 AEWRULZQJRUDAT-ZDUSSCGKSA-N 358.470 5.394 30 1 FKEF CCCCC1CCC([C@@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)CC1 587387063 NZSYHTUANJVEEW-CNXQINBVSA-N 354.494 5.192 30 1 FKEF CCCc1c(O)ccc2c1O[C@](C[C@H](C)C#N)(c1cccc(C)c1)CC2=O 587467124 CQEDFSQZTIVEDA-HJPURHCSSA-N 363.457 5.064 30 1 FKEF CCC(CC)(CCC#N)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587728665 APTVWYGPKZUDFF-PXAZEXFGSA-N 367.306 5.274 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2noc(C(C)(C)C)n2)cc1 587906441 FWIAEDAJBPZYIJ-UHFFFAOYSA-N 366.848 5.096 30 1 FKEF COc1cccc(/C=C2\CCC/C(=C\c3ccccc3Cl)C2=O)c1OC 1857648463 YVGRZDJBBXWAIC-DISAMGIASA-N 368.860 5.577 30 1 FKEF CCCCC[C@H](F)C=C[C@H]1CCC(=NO)[C@@H]1CCCCCCC(=O)O 2356732631 LQQORSBLZLAVKX-OKZBNKHCSA-N 355.494 5.743 30 1 FKEF COc1ccc(C2=CN(Cc3ccccc3)[C@H](c3ccccc3)CC2=O)cc1 61948208 IAYVYEXFIAOUPL-DEOSSOPVSA-N 369.464 5.252 30 3 FKEF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13547272 WCFIGQHNBJXROP-AOEZPDJKSA-N 372.549 5.635 30 1 FKEF biogenic O=C(CCCCCCc1cnc(-c2ccc(-c3ccccc3)cc2)o1)NO 13554054 HLYPKXDQBACOJP-UHFFFAOYSA-N 364.445 5.007 30 1 FKEF C=C1COc2cc([C@@H](C)[C@H](C)CCCCC)cc(O)c2[C@@H]2C=C(C)CC[C@@H]12 27865551 XSVGNKMGHGRMPZ-QTPAZIJBSA-N 368.561 7.101 30 1 FKEF C/C(=N\O)c1cccc(-c2nc3ccccc3c3[nH]c4ccccc4c23)c1 45387211 FCWYQYDJBJBGOQ-VULFUBBASA-N 351.409 5.735 30 1 FKEF Cc1ccc(/C(=N/O)NCC2CCCCC2)c(Oc2ccc(Cl)cc2)n1 72101241 IWFQNQHURSNEPS-UHFFFAOYSA-N 373.884 5.141 30 1 FKEF CCCCCCCCCCCCCCCc1cc(OC)c(C)c(OC)c1 86051911 WEZLYFOBPXWPLQ-UHFFFAOYSA-N 362.598 7.646 30 1 FKEF biogenic CCCCCCCOc1cccc(COc2cccc(O)c2C(=O)O)c1 103244758 SRTUHEHIILZOCA-UHFFFAOYSA-N 358.434 5.019 30 1 FKEF N#Cc1c(C2CCCCC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625692 LZPMZXPMHMXFIA-UHFFFAOYSA-N 360.301 6.125 30 1 FKEF C=C1CC[C@@H]2C(C)(C)C[C@H](OC(C)=O)C[C@]2(C)[C@H]1CCC(C)=CC(=O)O 2356585596 VMWOMELLRUSCGH-PSHVLCQKSA-N 362.510 5.138 30 1 FKEF Cc1cc(C)n2nc3c(C#N)c(-c4ccccc4)cc(C(F)(F)F)c3c2n1 28948231 RKKQJTCMCUCWPA-UHFFFAOYSA-N 366.346 5.057 30 1 FKEF Cc1cc(C)cc(Oc2nc(C)ccc2/C(=N/O)NCC2CCCCC2)c1 72182254 DMPDHGKTFZNWLS-UHFFFAOYSA-N 367.493 5.105 30 1 FKEF CCCCCCCCC(CCCCCCCC)CCCCCCCC 86023434 ZLIOPNROBPMBFI-UHFFFAOYSA-N 352.691 9.854 30 1 FKEF biogenic CC(C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 119285754 FFRFYWBYDZTBDQ-BSQNVFEHSA-N 368.605 6.983 30 1 FKEF endogenous,in-man C=C(C)CCOC(=O)CCCCCCCCCCCCCCCCC 169622403 AJYXKHNQPPDXKA-UHFFFAOYSA-N 352.603 7.757 30 1 FKEF C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)C=C[C@@]45C[C@@]35CC[C@]12C 255217496 HKEBEMMDBQANKW-BHBOROIOSA-N 367.577 5.299 30 1 FKEF C[C@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 2356517181 AIWMJAGAGKKIFO-MYDAXSSOSA-N 368.517 5.187 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1c(O)c(OC)cc2ncoc12 2356797264 NSXJJSLVOUBQRV-WUTZQBGQSA-N 369.505 5.883 30 1 FKEF CCCCCCCCCCN1C(=O)CC[C@@](CC)(c2ccncc2)C1=O 36289285 SXTLDMNRUOLZME-QFIPXVFZSA-N 358.526 5.019 30 1 FKEF COc1ccc(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)cc1OC 203349725 SULOABRUVJLFAL-NTUHNPAUSA-N 362.400 5.406 30 1 FKEF C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(OC)OC 238751962 ZLHIOIIUQWUZEK-DSIDUYFZSA-N 366.542 5.275 30 1 FKEF FC(F)(F)Oc1cccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 586900583 BHCXERKPCJUSFJ-UHFFFAOYSA-N 368.314 5.121 30 1 FKEF C=C(C)[C@H]1CC=C(C)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100346 HFZSTVQCBIAFMB-MRXNPFEDSA-N 351.449 6.221 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(Br)cncc2c1 587911068 GUTKSZYVQGKFOO-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(SC)c(OC(F)(F)F)c1 587914743 MTSJMWGTKAJRQC-UHFFFAOYSA-N 372.795 5.369 30 1 FKEF C=CCC=CCC=CCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O 2356332703 ISZNSNPZAIWOAG-UHFFFAOYSA-N 372.505 5.378 30 1 FKEF C=CCC=CCC=CCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 2356505433 FGWRUVXUQWGLOX-UHFFFAOYSA-N 358.478 5.290 30 1 FKEF CC(=CC(=O)c1cc(O)cc2c1C[C@H](c1ccccc1)O2)c1ccccc1 2356595369 DWLVEVYKWBKSNV-HSZRJFAPSA-N 356.421 5.355 30 1 FKEF C=C(CNCC)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1O 29225267 QTDZRBHQQYRERW-PMACEKPBSA-N 357.538 5.436 30 1 FKEF CCCCCCCCCCCCNC(=O)N[C@H](C)[C@@H](O)c1ccccc1 43640857 VPNAURLFPWAFJP-TZIWHRDSSA-N 362.558 5.329 30 1 FKEF N#Cc1ccc(Nc2nc(Oc3ccccc3Cl)c3ccccc3n2)cc1 53293931 QQHHDIVAXFHYSA-UHFFFAOYSA-N 372.815 5.691 30 1 FKEF CC/C=C/CCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@@H](CCCCCCC)NC(=N1)N23 473135686 RTIHUTXMEHQCPS-JAKWJRLISA-N 359.602 5.807 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(SC)c(C(F)(F)F)c1 587913967 QUVYVRFZUZHGNS-UHFFFAOYSA-N 356.796 5.489 30 1 FKEF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)CC2=NCCCC 2356283759 AOUFZZRVWJLWTD-UHFFFAOYSA-N 373.581 6.791 30 1 FKEF CC=CCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 2356637249 MNVVQRHSKMPYJZ-UHFFFAOYSA-N 362.510 5.738 30 1 FKEF CC(=O)/C=C/CCCCCCCCCCCCc1ccc2c(c1)OCO2 14591314 GLEWZPUZTYZURE-WYMLVPIESA-N 358.522 6.394 30 1 FKEF biogenic O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2c1 73197007 ZXYOBMANDDSPJP-UXBLZVDNSA-N 360.762 6.408 30 1 FKEF CCC1=C(OC)C(CC)(CC)C(=O)C(C(=O)/C=C/c2ccc(C)cc2)=C1O 101083407 SEXSIBMTSNDBFL-BUHFOSPRSA-N 368.473 5.089 30 1 FKEF CN1[C@@H]2CC[C@@H]1CC(=NO[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C2 101448883 XIMUYEKYRAKSDP-VSKRKVRLSA-N 368.908 5.253 30 1 FKEF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccc(C#N)cc2)nn1 103193101 VKIMKQZHWCVULC-UHFFFAOYSA-N 355.319 5.135 30 1 FKEF N#Cc1cccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587071876 REBGGLHJSXHYCF-UHFFFAOYSA-N 365.223 5.470 30 1 FKEF CCCCCCCCCCCC(=O)Oc1cccc2c1C(=O)C=C(C)C2=O 653771382 JARFXOAFLOOJHW-UHFFFAOYSA-N 370.489 5.838 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)C=C[C@H]1O[C@H]1C(=O)O 2356388624 LOPUOQXRVYARTM-NHCUHLMSSA-N 366.542 5.835 30 1 FKEF CCCCCCC=CCCCCCCCc1cc(O)cc(OC(C)=O)c1 2356650774 QRHBFUGRLXRYQV-UHFFFAOYSA-N 360.538 6.727 30 1 FKEF CCCCCCCCCCCCCCCc1cc(O)cc(OC)c1O 2382227604 QZXGOVNFJRDIFO-UHFFFAOYSA-N 350.543 6.740 30 1 FKEF Cc1ccc(-c2nc(N/N=C/C=C/c3ccccc3)c3ccccc3n2)cc1 1660467 RTWWUUPHKOZVNB-ALRKKBJSSA-N 364.452 5.716 30 1 FKEF C=C(C(=O)O)[C@H]1CC[C@@H](CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1 5924194 IFDPWHHQIPWEFF-FFLICMDGSA-N 374.565 6.622 30 1 FKEF CCCCCCCC/C=C\CCCCCCC(=O)c1nc2ccccc2o1 42851027 PPIDJEBSTLHZDK-KTKRTIGZSA-N 369.549 7.658 30 1 FKEF C[C@H](C#N)C[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504109 MOVNLIHCBRTFKA-NPMXOYFQSA-N 363.432 5.115 30 1 FKEF CCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603505 PQKSOSCNGCCGCU-PZJWPPBQSA-N 368.473 5.863 30 1 FKEF CCCCCCCCn1cc(CN2CCCCC2)c2cc(Cl)ccc21 1772652678 JEPSSHWRMSZYDQ-UHFFFAOYSA-N 360.973 6.641 30 1 FKEF CCCCCCCCCCCCC=CCC(=O)C1=C(O)C[C@@H](O)CC1=O 2356372100 YEFDDSMURKQPEL-GOSISDBHSA-N 364.526 5.349 30 1 FKEF CCCCCCCCCCCCCCCC1=CC(=O)C(O)=C(O)C1=O 2356501489 CBBMCRJGGPZHBU-UHFFFAOYSA-N 350.499 5.874 30 1 FKEF C=C(C(=O)O)[C@@H]1CC[C@H](CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1 5924203 IFDPWHHQIPWEFF-XHHDKSCPSA-N 374.565 6.622 30 1 FKEF C/C=C/COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(c23)O1 26578211 LINVZNNNGKZXCJ-NSCUHMNNSA-N 370.404 5.171 30 1 FKEF C=C(CCc1ccc(C)cc1)C1=C(C)C(=C)[C@H]2CC[C@@H](CC#N)C(C)(C)C2=C1 43071142 AOIQERYGVZXFRM-BJKOFHAPSA-N 371.568 7.263 30 1 FKEF CCC(/C=C(\COC(=O)c1ccccc1)C(=O)c1ccc(OC)cc1)CC 299860003 ITXMXLLOHCDONN-HMMYKYKNSA-N 366.457 5.098 30 1 FKEF Cc1c(Br)cc2nc(-c3cccc([C@H](C)C#N)c3)[nH]c2c1C 587187693 JTORUGRZNPGCRB-SNVBAGLBSA-N 354.251 5.236 30 1 FKEF CCCCCCCCCCCC=CC[C@@H](O)COC[C@H]1COC(C)(C)O1 2356543362 OIDMHVREMLCFQV-RTWAWAEBSA-N 370.574 5.383 30 1 FKEF CCCCCCCCCCCCCC=CC[C@@H](COC[C@H](O)CO)OC 2356728357 HAEKESXEMFDAFY-YADHBBJMSA-N 372.590 5.019 30 1 FKEF C=C(C=CC=CC=C(C)CC(C)C)Cc1ccc(C(=O)O)c(C)c1C(=O)O 2356784752 PYOANWSKTRPYJI-UHFFFAOYSA-N 368.473 5.595 30 1 FKEF CCCCCCCCCCCCCCCC=CCC#CCCCC(=O)O 2356816286 CZQAWEFCMPZINO-UHFFFAOYSA-N 362.598 7.672 30 1 FKEF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C#N)cc2)cc1 38149555 LVPDLMHLHMXBST-UHFFFAOYSA-N 355.441 5.170 30 1 FKEF C#Cc1ccc(-c2c(C)nnc(Cl)c2-c2c(F)cc(F)cc2F)cc1 84634865 VMIONSJLPAMQRI-UHFFFAOYSA-N 358.750 5.171 30 1 FKEF COc1ccc(C(=O)/C=C/c2cccc3ccccc23)c2c1C=CC(C)(C)O2 84653908 ZCNBEMIZDLOPBG-ACCUITESSA-N 370.448 5.929 30 1 FKEF COc1ccc(-c2cc3ccccc3nc2/C=C/C(=O)c2ccccc2)cc1 95597536 VTEKZHZSRZBDPE-FOCLMDBBSA-N 365.432 5.807 30 1 FKEF C=CCCCCCOc1ncc(-c2ccccc2OCCCCC=C)n1C 103244498 DMTIIWJTCDCVEM-UHFFFAOYSA-N 368.521 5.947 30 1 FKEF COC1=CC(=O)C(O)=C(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O 299854991 AUDYECRPXIOJSY-JTCWOHKRSA-N 358.478 5.290 30 1 FKEF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C#N)cccc4[nH]3)cc2)cc1 587196355 SZMTZFFODDVWNJ-UHFFFAOYSA-N 366.428 5.583 30 1 FKEF CCCCCCC/C=C/C[C@]1(CC)CC(=O)c2ccc(O)c(CCC)c2O1 587489592 PJAKBGLBBNKNJZ-JHUUHBRDSA-N 372.549 6.766 30 1 FKEF CCCCCCCCCCCCN1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 36351384 AEJJWJOLUMJLMV-LADGPHEKSA-N 363.630 6.337 30 1 FKEF N#Cc1ccc2[nH]c(-c3ccncc3)c(-c3cc(Cl)cc(Cl)c3)c2n1 40836351 AJTIEFRBXKZDMY-UHFFFAOYSA-N 365.223 5.470 30 1 FKEF Cc1ccc(C(C)C)c(Oc2cc(/C(=N/O)N3[C@@H](C)CC[C@H]3C)ccn2)c1 72102941 HROFHXFYUWJJKT-ZWLOYNKSSA-N 367.493 5.314 30 1 FKEF CCOC(=O)/C(=C\Nc1ccc(C(C)C)cc1)C(=O)c1ccccc1Cl 101083887 JWIFHBBKAANFSJ-AQTBWJFISA-N 371.864 5.205 30 1 FKEF CCC(C)(C)C(=O)C1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 103185153 OVMTZOQVXGUVGE-UHFFFAOYSA-N 354.490 5.240 30 1 FKEF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C#N)c1ccccc1Cl)CC2=O 587459923 FAIXQLBDFTXFGM-IIBYNOLFSA-N 369.848 5.029 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(F)c(C(=O)c2ccccc2)c1 587915427 OGLXUQKFJGUHAU-UHFFFAOYSA-N 364.803 5.119 30 1 FKEF CCCCCCCCCc1ccsc1C#Cc1cc(Cl)ccc1OC 587918853 LOEKQDXLPOHZPC-UHFFFAOYSA-N 374.977 7.103 30 1 FKEF N#Cc1ccc(-c2csc(COc3ccc(Cl)cc3Cl)n2)cc1 587921520 BKYYOTOLGHKVGE-UHFFFAOYSA-N 361.253 5.568 30 1 FKEF C=CCc1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949457 HFYZJHLRFLIDBZ-MSUUIHNZSA-N 352.437 6.254 30 1 FKEF COc1ccccc1[C@]1(CCC#N)NCCc2cccc(-c3ccccc3)c21 962670248 REDHVYLFHWTPJN-VWLOTQADSA-N 368.480 5.055 30 1 FKEF CC[C@]1(c2ccc(N)cc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963191477 OUZZIXCVICBRJD-RPBOFIJWSA-N 367.496 5.045 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCOC[C@@H]1CCCN1 1857538679 CQQZHFIIZCZLAY-AXKWSIDASA-N 351.619 6.793 30 1 FKEF C=CC=CC=CCCCCCCCCCCCC=CCCCCCCCC 2356554593 SFGKQTHNONYLAQ-UHFFFAOYSA-N 372.681 9.883 30 1 FKEF CCCCCCC=CC[C@@H](CCCCC)C[C@@H](CCCC(=O)O)CNC 2356779227 OSLCIRVTDLVRRQ-FGZHOGPDSA-N 367.618 6.580 30 1 FKEF C=CC[C@]1(C2=NC(C)(C)CO2)c2ccccc2-c2ccccc2[C@H]1C(C)=O 5883653 UAQKEOCMFQELOM-QPPBQGQZSA-N 359.469 5.061 30 1 FKEF C=CC[C@H](Nc1cccc2ncsc12)c1cn(C(C)=O)c2ccccc12 103209977 NDZVZIWXSQOJRA-KRWDZBQOSA-N 361.470 5.640 30 1 FKEF COC1=CC(=O)C(O)=C(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCCC3(C)C)C1=O 254209935 ZMWPUCGPHZVIMQ-WHIJVDBASA-N 374.521 5.140 30 1 FKEF C=CCc1cccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164499 SLCADSWGXSHAQJ-JXAWBTAJSA-N 360.457 6.081 30 1 FKEF CCCCCCCCn1cc(CN2CCC(C)CC2)c2cccc(F)c21 1772612196 SNQCGCAPYNOIEY-UHFFFAOYSA-N 358.545 6.373 30 1 FKEF CCCCCCCCCCCCCCCC=C1C(=O)O[C@@H](OC)[C@@H]1O 2356441376 PDYYNJRNSPYYHH-TZIWHRDSSA-N 354.531 5.284 30 1 FKEF O=[N+]([O-])c1ccc(C(=NNc2ccc3ccccc3c2)c2ccccc2)cc1 2356826680 XESQNJCMNHWZIG-UHFFFAOYSA-N 367.408 5.613 30 1 FKEF C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(CCCCC(=O)O)CCC[C@@]23C)C1 27093784 IFIXXFKTBDCXOX-WFUQYPKXSA-N 358.566 6.767 30 1 FKEF N#C[C@H](C(=N)Sc1ccccc1N)c1ccc(Oc2ccccc2)cc1 169718054 LXGBVMYGKYPYHH-SFHVURJKSA-N 359.454 5.438 30 1 FKEF N#Cc1c(-c2c[nH]c3ccc(Br)cc23)[nH]c2cc(F)ccc12 587633012 VZNMTUCSCHUOBJ-UHFFFAOYSA-N 354.182 5.089 30 1 FKEF CCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1 2356411069 GSGVKEOQRLQPPH-UHFFFAOYSA-N 362.510 5.878 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc(OC(C)=O)ccc1O 14858387 DGNYBWKDKZPJTB-LSUGYDDCSA-N 356.506 5.659 30 1 FKEF biogenic C=C1[C@H](OC(C)=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 85994304 LVCNTQGACCPCKA-OOHCVHABSA-N 364.526 5.218 30 1 FKEF CCCCCCCCCCCCCc1cc(O)cc(OC)c1OC(C)=O 143491320 VOSFKYCLCVRPMA-UHFFFAOYSA-N 364.526 6.180 30 1 FKEF CC1(C)CCC[C@]2(C)[C@@H]3C=C4C(=CC(=O)C(O)=C4Cl)O[C@@]3(C)CC[C@H]12 238741548 IVURSJNKOFPQMR-ALGWMNEGSA-N 362.897 5.419 30 1 FKEF C=CCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587513485 AIHDNPPVUZOYNF-HSZRJFAPSA-N 357.453 5.413 30 1 FKEF N#Cc1ccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 653866681 COMAWJMGXXXMCY-UHFFFAOYSA-N 364.619 5.120 30 1 FKEF N#CCc1ccc(-n2cnc3cnc4ccc(-c5ccsc5)cc4c32)cc1 1772640025 LAPRMRQFLNUIQX-UHFFFAOYSA-N 366.449 5.368 30 1 FKEF CN(c1ccc2c(c1)c1ccccc1n2C)c1cc(C#N)nc2ccccc12 1857591488 RDPGKKTVZXXDSM-UHFFFAOYSA-N 362.436 5.519 30 1 FKEF CCCCC=CC#CC#CCCCCCCCC[C@H]1C[C@@H](COC)OC1=O 2356598267 LDAWMCULWDOTLF-GOTSBHOMSA-N 372.549 5.439 30 1 FKEF CC(=O)O/N=C1/C[C@H]2C(C)(C)CCC[C@]2(C)C(CCc2ccoc2)=C1C 2382234647 SNIUYHXUNURIEF-NQVYVZFOSA-N 357.494 5.684 30 1 FKEF CC1(C)O[C@H](c2cccs2)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21 13439614 JVSPQULNYQNSBE-HXUWFJFHSA-N 364.445 5.802 30 1 FKEF Fc1cccc(Cl)c1-c1nc(-c2ccc(C#Cc3ccccc3)cc2)c[nH]1 64559088 FBPSDJOFCNSDQF-UHFFFAOYSA-N 372.830 5.936 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](O)COC(=O)CCCC 238773709 YXJYYEAYENRXMY-QFIPXVFZSA-N 370.618 6.952 30 1 FKEF C[C@H](C#N)c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587189041 XTGSQQFGINWICQ-SECBINFHSA-N 360.642 5.273 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587966121 SBNSCAKMVJHCSL-PFONDFGASA-N 368.436 5.346 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@@]3(C[C@]12C)[C@@H](C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]13C 1857594272 QSKNABACZZQUJZ-HIRZNULXSA-N 372.549 5.188 30 1 FKEF CCCCCCCCCCCCOC(=O)c1ccc(OC)c(OC)c1 59745072 FAFOXLXPFPLJOR-UHFFFAOYSA-N 350.499 5.782 30 1 FKEF CCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@@]2(C)C=CC(=O)C=C12 253994860 WLAOFEXUHCVHAH-VAGMBHLVSA-N 354.534 5.670 30 1 FKEF C[C@@H](C#N)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587187426 GJDLVGWLSRAYHC-VIFPVBQESA-N 360.642 5.273 30 1 FKEF CCCCCCC[C@@H](C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)SC 587532047 KOIYQIZODSYQCZ-OALUTQOASA-N 374.590 6.381 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CC=O)c2c1 587640402 AAKRSMRGFVEVNT-KGLIPLIRSA-N 358.482 5.009 30 1 FKEF C=C(C)[C@@H]1CC=C([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587822247 JLXJYRKFMSEMIP-VLXJIEOASA-N 364.302 5.466 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccnc2ccc(C(F)(F)F)cc12 587914006 SJUDXIWPMKARJQ-UHFFFAOYSA-N 361.750 5.315 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(Cl)c1F 587916455 LXWJIIFAGAQTFH-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)c2nc(C)n(C(C)C)c2c1 587917725 OXGJRYUZQWBBDO-UHFFFAOYSA-N 356.828 5.127 30 1 FKEF CCCCCCCCCCCCCCCC=C1C[C@](C)(CO)OC1=O 2356488527 PUKKHYJSOBFENT-JOCHJYFZSA-N 352.559 6.092 30 1 FKEF CCCCCCCCC=CCCCCCCCCCc1cccc(O)c1 2356552382 NOVOJQIJWPCYHO-UHFFFAOYSA-N 358.610 8.362 30 1 FKEF CCCCCCCCC=CCCCCCC1=C(O)C(=O)C=C(OC)C1=O 2356698151 KDDJYOCGGIRKAF-UHFFFAOYSA-N 362.510 5.738 30 1 FKEF CCCCCCCC/C=C\CCCCCCC[C@@H](Cc1ccccn1)OC 2382218384 ZVCBPIUCOPNHDM-BOWHEOPPSA-N 373.625 7.677 30 1 FKEF C=CC[C@H]1Oc2cccc(SC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493609 XTULGNRZXMHXPU-QGZVFWFLSA-N 363.526 6.693 30 1 FKEF Cc1ccnc2c1c(C#N)cn2-c1ccc(C(C)C)cc1Br 13794676 BRMLMCCMPKITGY-UHFFFAOYSA-N 354.251 5.092 30 1 FKEF C=C[C@@H](C)[C@@](C)(N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 64436569 IKTLSRHNGRWPJH-DZCCQZJSSA-N 371.609 5.466 30 1 FKEF N/C(=N\c1cccc2ccccc12)SCC(=O)c1ccc(Cl)cc1 68583968 OIBLMIOJBDVOLR-UHFFFAOYSA-N 354.862 5.056 30 1 FKEF biogenic N#Cc1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015045 COCMEXNUYPKZGQ-UHFFFAOYSA-N 371.252 5.532 30 1 FKEF C=C(C)[C@@H]1CC[C@@H](C)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100657 NVDJPZZPDPTDNW-ZBFHGGJFSA-N 353.465 6.312 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2ccccc2C)cc1 587904921 DLMCPDWNJIVTKD-UHFFFAOYSA-N 360.840 5.288 30 1 FKEF CCC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CC)C1CCCCC1 1081815648 SVWJIYAMJCPNNJ-HNNXBMFYSA-N 362.430 5.287 30 1 FKEF biogenic C[C@H]1CCC[C@H](Nc2c(-c3ccc(Cl)cc3)[nH]c3c(C#N)cnn23)[C@@H]1C 6768757 IPIKHBFNSIOSRV-AHIWAGSCSA-N 367.884 5.091 30 1 FKEF O=C(Nc1ccc(F)cc1)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1 73157873 ORJVAWSHSXXADG-OVCLIPMQSA-N 360.388 5.366 30 1 FKEF COc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc4ccccc4c3)cc2c1 82148904 PBVTXLKJBDMAIM-DHZHZOJOSA-N 373.839 5.946 30 1 FKEF CC(C)CCn1ccc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1=O 84756910 KEDYAFNTMGPUOS-UHFFFAOYSA-N 358.441 5.225 30 1 FKEF CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC)[C@@H](C)CCC 169622425 SXBQGMISTDXSCC-XLYIZDCRSA-N 366.630 8.002 30 1 FKEF Fc1cc(C(F)(F)F)c2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1 587108891 HWYMSJXOHVRPNC-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(Cl)cc1Br 587898028 CYOMAAYSBJCJCA-UHFFFAOYSA-N 370.073 5.359 30 1 FKEF O=C[C@@H](SCc1ccccc1)[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962662614 FCXRPXCIGIYGCQ-DNQXCXABSA-N 373.521 5.041 30 1 FKEF COc1cc(C(=O)C(=Cc2ccccc2)c2ccccc2)cc(OC)c1OC 1857621609 OOBCBOPDVCJSEO-UHFFFAOYSA-N 374.436 5.136 30 1 FKEF C=C1c2cccc(OC)c2O[C@H](C(=O)OCC)[C@@H]1C[C@H](CC)CCCC 13813775 VVQUIZDVHZXAEA-BLIXFSHQSA-N 360.494 5.255 30 3 FKEF CCc1cc(F)c(Cc2cnc(Nc3ccc(C#N)c(Cl)c3)o2)c(F)c1 95582823 SOIAAAJGBDQOJR-UHFFFAOYSA-N 373.790 5.375 30 1 FKEF CCCCCCCc1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1 299833276 KKJUVZPJQAOMAK-UHFFFAOYSA-N 352.430 5.384 30 1 FKEF C=CCc1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128792 QWZBKOYMVDRKSQ-UHFFFAOYSA-N 367.424 6.020 30 1 FKEF C[C@]1([C@@H](C#N)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498657 FLOAOUYCRRKLMF-SIKLNZKXSA-N 365.860 5.250 30 1 FKEF N#Cc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625368 GPZPCPDZCGFAGQ-UHFFFAOYSA-N 372.243 5.883 30 1 FKEF Cc1c(-c2ccc(C#N)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626297 RMNAZVSEPRZZAE-UHFFFAOYSA-N 368.280 6.053 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)sc1Br 587918809 JTXJAXPVTXBWOX-UHFFFAOYSA-N 362.075 5.226 30 1 FKEF CO/N=C1/C=C2CC[C@H]3C4=CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 1772639341 KTKDPRBGWJLOPM-OMBUERBRSA-N 374.528 5.960 30 1 FKEF CSc1c(C(=O)c2ccc3ccccc3c2)c(N)c2ccccc2c1C#N 1857653204 VPYOWSZMLSDJBY-UHFFFAOYSA-N 368.461 5.400 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(O)ccc1OC(C)=O 2356790166 FGBQMZDQNSRMSZ-PARPOCPVSA-N 356.506 5.659 30 1 FKEF C=CCOc1ccc(CC[C@H](CCCC)c2ccc(OC)cc2OC)cc1 28566656 HYPCAFXIZKBANS-FQEVSTJZSA-N 368.517 6.175 30 1 FKEF CC(C)c1cc(/C=C/C(=O)c2ccco2)cc(/C=N/c2nccs2)c1O 169345839 KQJBGKSAXADAFB-RIYRHGMWSA-N 366.442 5.212 30 1 FKEF CC/C=C/C/C=C/C/C=C/CCCCCCCCCCCCCCCCC 169622686 CKIYZZGJUHRLBO-LFMRXJBFSA-N 374.697 10.107 30 1 FKEF Cc1ccc(-c2ccc(-c3nc4ccc(C#N)cc4[nH]3)c(Cl)c2)cc1F 587145915 UVUUZDLOAOOOBR-UHFFFAOYSA-N 361.807 5.870 30 1 FKEF C=CCc1c(C2CC2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587364515 CGRMXZPWBCOZBJ-UHFFFAOYSA-N 355.437 6.263 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)ccc1OC(C)=O 1772636362 FGBQMZDQNSRMSZ-RAKGIWIYSA-N 356.506 5.659 30 1 FKEF COC(=O)CCCC=CCCCCCCCCC#CC=CBr 2356382903 RJHPNNYGRMJAPM-UHFFFAOYSA-N 369.343 5.919 30 1 FKEF CCCCCCCCCCCCCCCCOc1cccc(O)c1C=O 2382233626 ZLMSIYISMDQUIP-UHFFFAOYSA-N 362.554 7.065 30 1 FKEF C=CC[C@@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OC)=C(C)C1=O 26827122 XFACFRVOJYDYNB-OQPJKTNTSA-N 368.517 5.672 30 1 FKEF CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 104072009 BIYIJSFCMOZJNF-VZFXBBDVSA-N 353.462 5.147 30 1 FKEF CCCCCCCCCCC[C@H](S)CCOc1ccc(C(=O)O)cc1 169340489 AOVIHPQVUARHHZ-FQEVSTJZSA-N 366.567 6.373 30 1 FKEF CC(C)CCCC/C=C/CCCCCCCCC[C@@H](O)C#CC#CCO 238769046 XHLZCKOMBOQHNF-HLZSCNFSSA-N 360.582 5.630 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(C#N)c2c1 587644079 ZPVRPYPSMWHJKE-GDBMZVCRSA-N 367.493 5.277 30 1 FKEF C[C@@H](C=O)CCCCCC[C@@H](C=Cc1ccccc1)CCCC=CC(=O)O 2356354819 QLLUYCSALJRPQW-FGZHOGPDSA-N 370.533 6.303 30 1 FKEF C=CC[C@@H](CC/C=C/C=C/CC/C=C\[C@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC 14948251 SSJXRCYFOOLEKV-QRRFGNQQSA-N 359.579 5.976 30 1 FKEF Clc1ccc2c(N/N=C\c3ccccc3Br)ccnc2c1 33411734 FEIPKKUNQNPRSR-JMIUGGIZSA-N 360.642 5.097 30 1 FKEF CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)C1=O 85602895 HLIMUGZFHFUHNW-UHFFFAOYSA-N 364.526 5.660 30 1 FKEF biogenic,in-vitro COc1ccc(/C=C2\Cc3cccc(OCC4CCCCC4)c3C2=O)cc1 1857629634 RXGBYEJTQTWJAN-XSFVSMFZSA-N 362.469 5.477 30 1 FKEF O=C1C=C(c2cc(Cl)cc(Cl)c2)C[C@@H](c2ccc3c(c2)OCO3)C1 36389335 ALCSPFXYRBSUEE-GFCCVEGCSA-N 361.224 5.252 30 3 FKEF C=CC[C@H]1Oc2cccc(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493652 UXGUYYJUKZKENF-QGZVFWFLSA-N 351.877 6.624 30 1 FKEF C=C1[C@H](C)CCC[C@@]1(C)CC[C@@]1(C)C=Cc2c(O)c(OC)cc(O)c2O1 14589317 FRNCPGLIWZENHP-YKAGIRRDSA-N 358.478 5.433 30 1 FKEF biogenic C=CCSCC1=CC(C)(C)Nc2ccc(-c3cccc(OCC)c3)cc21 28571415 UJDIDBYHSBLFCR-UHFFFAOYSA-N 365.542 6.259 30 1 FKEF C=CC[C@@H]1Cc2c(c3ccccc3c3nc4ccccc4nc23)OC1(C)C 40466759 XRHUQKZDFXUADD-OAHLLOKOSA-N 354.453 5.842 30 1 FKEF CCCCCCCCO[C@H]1c2cc(Cl)ccc2OC[C@@H]1n1ccnc1 43379652 SWSUELLDBCHFTF-ICSRJNTNSA-N 362.901 5.588 30 1 FKEF CCCCCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@]2(C)C=CC(=O)C=C12 58534987 TWSVBZORGBDMKX-ILWUYGLKSA-N 368.561 6.060 30 1 FKEF CC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 84670731 RFQPVRQJKRBRLR-JLZFKDTQSA-N 370.905 5.600 30 1 FKEF O/N=C(\CSc1cccc(Cl)c1)c1cc(Cl)sc1Cl 95577542 VVPBXVDUABNMGU-MHWRWJLKSA-N 352.695 5.679 30 1 FKEF CCCCCCCCCCCCc1ccc(CCN2CCC(N)CC2)cc1 103275326 UYVKGSBOXQVWNZ-UHFFFAOYSA-N 372.641 6.116 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](O)c2ccccc2C)cc1 587905893 MAKRZAUYVCOSDD-HSZRJFAPSA-N 362.856 5.139 30 1 FKEF CCCCCCCCn1cc(CN2CCCCC2)c2cccc(OC)c21 1772589440 OJUNYCHZMDGHMJ-UHFFFAOYSA-N 356.554 5.996 30 1 FKEF C=C(C)[C@@H]1CC2=C(C)C=C[C@]34C[C@H](C5(O)CCCC5)C[C@@H]3CC[C@H](C1)[C@@]24C 2356545145 NFJOKXMTRSOFNT-SMSBTCCDSA-N 366.589 6.593 30 1 FKEF CCCCCCCCn1cc(C(=O)Cc2ccc(Cl)cc2Cl)nn1 72125111 GQGHJMZAKWNCQP-UHFFFAOYSA-N 368.308 5.371 30 1 FKEF CCCCCCCCOC(=O)Cc1coc(-c2ccc(CCCC)cc2)n1 72186184 RHYNULBYVYKMST-UHFFFAOYSA-N 371.521 6.130 30 1 FKEF CCCCCCCC[C@@H](O)c1ccc(/C=C\[C@H](O)CCCC(=O)O)s1 73354837 FWUNPRXPKPPGLO-VKJYAMAFSA-N 368.539 5.161 30 1 FKEF CCCCCCCCCCn1cc(CCC[N+](C)(C)C)c2ccccc21 84671449 FEAHUGCTZYFNNR-UHFFFAOYSA-N 357.606 6.421 30 1 FKEF CCCCCCCCCCCCCCC[C@@H](O)Cc1cc(O)cc(O)c1 85832189 SYXSPGMNIUYYGF-OAQYLSRUSA-N 364.570 6.483 30 1 FKEF biogenic CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(CC)cc1 103522859 LPGLGDZXLBAYOY-UUZBPDLYSA-N 353.462 5.010 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC/C2=C/c1ccccn1 169425493 RGNJSZWUMOCIKE-QOCOTZDGSA-N 361.529 5.997 30 1 FKEF CCN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@H]4CC[C@H]3[C@@H]1C 255271581 UJZGATBJRUSNIV-NMLRTNMYSA-N 369.593 5.523 30 1 FKEF CC(C)(C)C(=O)/C(=C/c1ccc(/C=C/c2ccccc2)cc1)n1ccnc1 299829438 KIXFWNKODMHKOG-BVYMSHKCSA-N 356.469 5.667 30 1 FKEF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C#N)ccc4[nH]3)c21 587032249 ZZIDXPMSCLGHAR-ZDUSSCGKSA-N 358.470 5.394 30 1 FKEF CC[C@@]1(c2ccc(N)cc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963191475 OUZZIXCVICBRJD-LOSJGSFVSA-N 367.496 5.045 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(CN[C@]3(C)CCC[C@H]3CCCO)=CC(C)=C2C1 2356427651 ILPMMOFUNUDHKX-PEISPCAHSA-N 371.609 5.936 30 1 FKEF CCCCCCCC(C)=CC(=O)O[C@H](C)CCCCC=C(C)CC(=O)O 2356443273 GUGWWNGSTOHWGD-HXUWFJFHSA-N 366.542 6.206 30 1 FKEF CCCCCCCCCCCCCC=CC1=C(O)C(=O)C=C(OC)C1=O 2356527083 VXPOFKWNVUZZOP-UHFFFAOYSA-N 362.510 5.738 30 1 FKEF C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1 13589401 DCIRDTIBHJXEGG-HDICACEKSA-N 358.485 5.777 30 1 FKEF CCCCCCCCCCCCC(=O)N1CCC(C2CCNCC2)CC1 42965401 CFFXZQWLDLHAAB-UHFFFAOYSA-N 364.618 5.536 30 1 FKEF CCCCCCCCCCCCCCCCNc1ccc([C@H](C)O)cc1 43706004 BFZSPMYEQPMVCO-QFIPXVFZSA-N 361.614 7.633 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2occ(Br)c2c1 587911292 CZANVUDALDHBTJ-UHFFFAOYSA-N 361.622 5.257 30 1 FKEF COC1=C(C)C(=O)[C@]2(CC(CCC=C(C)C)=CC[C@@H]2C(C)C)C(=O)C1(C)C 2356773404 YLLJLJGJAVHFKG-NTKDMRAZSA-N 372.549 5.810 30 1 FKEF O/C(=N\c1ccc(F)c(Cl)c1)c1csc([C@H](O)C2CCCCC2)n1 82079127 FEAHSKQGFDEMJV-OAHLLOKOSA-N 368.861 5.186 30 1 FKEF CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC 85922154 HELWZCJQPKOOIY-UHFFFAOYSA-N 366.630 7.966 30 1 FKEF endogenous,in-man CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 103522965 OFOWCZOSBWSWRU-AZZGVMCLSA-N 371.452 5.223 30 1 FKEF CCCCCCCCCCCCC(=O)O[C@@H]1CC/C=C\COC(=O)CC1 238740770 WHOHJKFQKCSVPQ-ACQXMXPUSA-N 366.542 5.883 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccnc1Oc1ccccc1F 587916386 JBGLPFGUSACWHE-UHFFFAOYSA-N 353.780 5.075 30 1 FKEF COc1ccc(C2=C(c3ccc(OC)cc3)c3cc(C)ccc3C2=O)cc1 1857767741 CGZBJYVKXXEAQL-UHFFFAOYSA-N 356.421 5.168 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)CCCC(C)=CCC[C@H](C(=O)O)CC1 2356407588 FPYLTCXRQURGOI-QTJGBDASSA-N 374.609 7.713 30 1 FKEF N#Cc1ccc(-c2ccc(Oc3cncc(NCc4ccco4)n3)cc2)cc1 82068852 AKHFZRORRUTDFC-UHFFFAOYSA-N 368.396 5.013 30 1 FKEF CCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1 90215373 GSGVKEOQRLQPPH-JQIJEIRASA-N 362.510 5.878 30 1 FKEF C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1Cc1c(C)cccc1C#N 169335956 JCRDMTPKARSKSC-SCDRESIJSA-N 365.517 5.361 30 1 FKEF N#Cc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1C#N 587124264 KKVOQJGPTFVTEE-UTCJRWHESA-N 370.359 5.089 30 1 FKEF CCC(=O)[C@@H](C)C(=O)C(C)=CC(C)=C[C@@H](C)C=C(C)C(=O)C(C)=CC(C)C 2356431262 JKSSPGWIWKMCSU-IIBYNOLFSA-N 372.549 5.817 30 1 FKEF O=C1CCCC2=C1[C@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 36379257 FOXNCLKAQGPSAN-GOTSBHOMSA-N 374.461 5.405 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N[C@@H](C)c1ccccc1 58590892 OYLVILCDJLQABO-QFIPXVFZSA-N 359.598 7.345 30 1 FKEF CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 104703770 PGJCDMVOICEDEQ-JOCHJYFZSA-N 371.480 6.014 30 1 FKEF C#CCOc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587562976 KMNGLZYVBHHFDD-UHFFFAOYSA-N 356.450 5.393 30 1 FKEF CCCCCC/C=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815015 JNGACIYSIKWOKT-RJDHNFQOSA-N 368.334 5.864 30 1 FKEF CC(C)c1ccccc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874676 FMNBYSNJGSSMCU-UHFFFAOYSA-N 374.311 5.022 30 1 FKEF C=CCC(C)(C)[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952469 IHAUOCKZYJXOLH-QGZVFWFLSA-N 353.428 5.000 30 1 FKEF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(C#N)cc1 13814713 XWSGSLRGEVICRZ-UHFFFAOYSA-N 351.405 5.616 30 3 FKEF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CS)CCCC(=O)O 40506307 UQQBBWGPCJRCME-NMSFOHICSA-N 350.568 6.373 30 1 FKEF C[C@@H]1CC[C@@H](C)N1/C(=N\O)c1ccc(Oc2cccc3ccccc23)nc1 72186036 HUBSYVJMOHFWOV-UQKIUFHVSA-N 361.445 5.036 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCCc1cc(O)ccc1O 95911870 HINGBIMWJGZPEP-KTKRTIGZSA-N 374.609 8.068 30 1 FKEF biogenic,in-vitro C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 152938575 LUSBNLHJBDRRCH-LBPUPLFVSA-N 356.506 5.021 30 1 FKEF C#Cc1cccc(-c2nc3cc(OCCCC)c(Br)cc3[nH]2)c1 586878921 FQORCEBIPOAVIK-UHFFFAOYSA-N 369.262 5.153 30 1 FKEF CCCCCCC[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527448 WHNXQGPDHPGVKQ-DVECYGJZSA-N 354.534 6.430 30 1 FKEF CCCCCCCC/C=C/CCCCC/C=C/C(=O)Nc1ccc(O)cc1 1857566739 BLACKRPMTNEGOG-JIXWLFTNSA-N 371.565 7.144 30 1 FKEF CCCCCCCCCCCCCCN[C@@H]1CCc2cc(OC)ccc2C1 42923654 JZKSWHPVJNPNJW-XMMPIXPASA-N 373.625 6.843 30 1 FKEF CCCCCCCCCCCCCCN[C@H](CO)[C@H](O)c1ccccc1 43649125 WXJXXPQZZWXSSM-DHIUTWEWSA-N 363.586 5.372 30 1 FKEF CC1=C(/C=C/C(=O)/C=C/c2ccccc2Br)C(C)(C)CCC1 95574747 LDPQOLKIRUWCIK-AQASXUMVSA-N 359.307 6.114 30 1 FKEF Oc1ccc(/C=N/Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 299864357 MGQSSKCMFTZUOX-OEAKJJBVSA-N 371.465 5.629 30 1 FKEF Cc1ccc2c(Cl)c(C(=O)c3coc4cc(C#N)ccc34)sc2c1 587278991 CMJNBSJWDHOOGD-UHFFFAOYSA-N 351.814 5.712 30 1 FKEF N#Cc1cc2c(O)c(-c3cccc(-c4ccccc4)c3)c(O)nc2cc1Cl 36185226 ZAWULWHMQQDEDS-UHFFFAOYSA-N 372.811 5.505 30 1 FKEF CC(=O)O/N=C(\C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 84672404 NPXFCMMOGQKPLW-SOIWPTPYSA-N 371.521 5.074 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)C3CCC(CNC)CC3)s2)s1 85592365 NBWWUGBWOQTFHE-UHFFFAOYSA-N 357.544 5.057 30 1 FKEF biogenic,in-vitro CCCCCCCCCCC[C@@H](O)CCOc1ccc(C(=O)O)cc1 169340482 DVZFYAYLZWNVEU-LJQANCHMSA-N 350.499 5.436 30 1 FKEF Cc1c(Br)cc2nc(CSc3ccccc3C#N)[nH]c2c1C 586964987 PWWWNTQDRORCND-UHFFFAOYSA-N 372.291 5.106 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2ccccc2cc1Br 587908136 UQVSPUHIKFYUQO-UHFFFAOYSA-N 371.661 5.664 30 1 FKEF CC#CCCCCCCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587956604 GKJANSOLOQTSFS-UHFFFAOYSA-N 360.501 6.048 30 1 FKEF N#CCc1ccc(Nc2ncnc3ccc(-c4ccc(F)cc4F)cc23)cc1 1772581422 BOHYKFRVCFFSFC-UHFFFAOYSA-N 372.378 5.385 30 1 FKEF CN[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C=CC(=O)[C@@]45C[C@]35CC[C@]12C 2356470960 MASDPPBVOXPTTR-KFBWRBLJSA-N 369.593 5.379 30 1 FKEF CCCCCCCCC=CCCCCC[C@@H](O)Cc1cc(O)ccc1O 2356743001 SYEWMKBCQCNFPV-OAQYLSRUSA-N 362.554 6.259 30 1 FKEF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C)=CC[C@@H]12 2356802667 SNIGTACYIZZBCS-XDDZPGGASA-N 354.578 6.903 30 1 FKEF CS/C(=N\Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 5880696 DDRPABDIBUHTLQ-VHXPQNKSSA-N 360.526 5.608 30 1 FKEF C=CC[C@@H]1Oc2cccc(COC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493620 PJVQNRZKYCGBAA-IBGZPJMESA-N 361.485 6.117 30 1 FKEF N#Cc1cncc(/C=C/c2ccccc2)c1Nc1cc2cc[nH]c2cc1Cl 45300978 KAWMNMBJDDWUNT-VOTSOKGWSA-N 370.843 6.002 30 1 FKEF C=CCn1c(O)c(/N=N/C(=S)Nc2cccc(OC)c2)c2ccccc21 101947987 NNDLQZUPXRTXJX-QURGRASLSA-N 366.446 5.022 30 1 FKEF O=C[C@H](SCc1ccccc1)[C@@H]1NCCc2cccc(-c3ccccc3)c21 962659912 BDIZAUOTWRVUJH-UPVQGACJSA-N 373.521 5.041 30 1 FKEF COc1ccc(-c2coc3c(/C(O)=N/Cc4ccccc4)cccc23)c(C)c1 61906959 INOIHKOFLRFSPW-UHFFFAOYSA-N 371.436 5.922 30 3 FKEF N#Cc1ccc(NC(=O)O[C@H]2CCC23CCC(c2ccccc2)CC3)cc1 96019294 IXWUXQFUTLAUJB-SWCONJRYSA-N 360.457 5.613 30 3 FKEF Cc1ccccc1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12 53276581 WAMWYWDFMAVSIW-UHFFFAOYSA-N 352.397 5.346 30 1 FKEF CC(C)(C(=O)/C=C/c1ccc(Cl)cc1)C(=O)/C=C/c1ccc(Cl)cc1 103191696 MQEXMTGIUATVRU-FNCQTZNRSA-N 373.279 5.884 30 1 FKEF CC1=C(C(=O)SC(C)(C)C)[C@H](c2ccccc2)C=C(c2ccccc2)N1 169322829 COZFLQRHDQMCDS-IBGZPJMESA-N 363.526 5.747 30 1 FKEF N#Cc1cc(Cl)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587948538 DXEQXBWETOIMRJ-UHFFFAOYSA-N 359.816 5.471 30 1 FKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CCC[C@](C)(COCC(C)=CC)[C@]3(O)CC[C@@H]2C1 2356437345 OZVOQLQAPWZOIF-DXIGCKPVSA-N 374.609 6.299 30 1 FKEF C=CC[C@H](O)CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1 13473233 IUPBZPSZHSRUHX-CBPYMKDYSA-N 359.579 5.712 30 1 FKEF CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CC)[C@H](C)CCC 169622426 SXBQGMISTDXSCC-KWQVGVJHSA-N 366.630 8.002 30 1 FKEF Cc1cc(F)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 587094582 CMGBEEFXZLIPFV-UHFFFAOYSA-N 362.248 5.715 30 1 FKEF C=C1C[C@H]2Cc3nc4c(C)ccc5c4c(c3[C@@H](C1)C2)-c1ccccc1C5=O 587100633 MYPHOXSPQCUEGM-CVEARBPZSA-N 351.449 5.751 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(CN[C@@]3(C)CCC[C@H]3CCCO)=CC(C)=C2C1 2356427650 ILPMMOFUNUDHKX-OUMDNPPYSA-N 371.609 5.936 30 1 FKEF CCCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1 43381959 MRVWSOCNTVSLLP-UHFFFAOYSA-N 360.501 6.550 30 1 FKEF CCCCCCCCCCCCCCCCC/C=C/C(=O)N1CCCC1 86001145 MWIKJHCNCBGKKP-DYTRJAOYSA-N 363.630 7.427 30 1 FKEF c1ccc(N/N=C(/Cn2ccnc2-c2ccccc2)c2ccccc2)cc1 103173534 IKBBOGBGCXNPBS-ROMGYVFFSA-N 352.441 5.067 30 1 FKEF CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](C)CC 169622358 FMLBCRIMQVKRJY-QFIPXVFZSA-N 354.619 7.837 30 1 FKEF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc(C#N)c2)(C2CCCC2)N1 962961358 WWZRGEHTASXPSO-CJFMBICVSA-N 369.512 5.398 30 1 FKEF C[C@]12CC[C@H]3[C@@H](C(c4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 1857560453 OPLIQEAVVVBVAF-GPXHLONLSA-N 360.497 5.391 30 1 FKEF C=C1C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)OC)C2=C[C@@H](OCC)[C@H]1C3 2356766680 VGANWUYGRNLAJS-GIDWFZKMSA-N 358.522 5.064 30 1 FKEF CCc1c(C)sc2c1CCN(Cc1ccccc1C#N)[C@H]2c1ccccc1 21337831 FWFWIJJQHYXQSP-QHCPKHFHSA-N 372.537 5.638 30 1 FKEF COc1cc(C2=C(c3ccc4ccccc4c3)CCC2=O)cc(OC)c1OC 26146221 RDNUZKXIIGQTOV-UHFFFAOYSA-N 374.436 5.139 30 1 FKEF CCCCCCCCCCCCCCCC(=O)C[N+](C)(C)CCCO 36079854 ULASTJITXGDABY-UHFFFAOYSA-N 356.615 5.496 30 1 FKEF Cc1nc(N[C@H](C)c2cccc(C#N)c2)cc(-c2ccc3ncsc3c2)n1 142815944 MKGUTEWRKVFGAW-CYBMUJFWSA-N 371.469 5.107 30 1 FKEF O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1cc(Cl)ccc1Cl 299826325 GUFWLVIFFTWXQB-LBPRGKRZSA-N 365.281 6.002 30 1 FKEF N#Cc1ccccc1SCc1nc2ccc(SC(F)(F)F)cc2[nH]1 586964519 GAEJCEOAXSDUOZ-UHFFFAOYSA-N 365.405 5.339 30 1 FKEF N#CC[C@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587502894 GBZKDKQKNKHXFE-HSZRJFAPSA-N 357.409 5.086 30 1 FKEF CCCCCCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812136 IJGPGULICCYRMB-KUHUBIRLSA-N 370.350 6.088 30 1 FKEF COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356791965 JEGXOFSOVHNFEU-IHMUCKAYSA-N 372.549 5.334 30 1 FKEF O/N=C(\Nc1ccccc1)c1ccc(Oc2cccc3c2CCCC3)nc1 72183785 CKBMJBCDBSWJOB-UHFFFAOYSA-N 359.429 5.001 30 1 FKEF N#Cc1sc(=S)n(-c2ccccc2)c1/N=C/c1ccc(Cl)cc1 96914000 YVJLBWNXURQJDZ-RGVLZGJSSA-N 355.875 5.544 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC[C@@H](O)CO 102186354 NQLZSOFWYPHLBE-HSZRJFAPSA-N 356.635 7.162 30 1 FKEF biogenic CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2cccc(F)c2)/C1=C(\O)OC(C)C 103520839 CEYSMUIDKRMKGJ-AZZGVMCLSA-N 371.452 5.222 30 1 FKEF N#Cc1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128355 LQVLCXFGYKMZOL-UHFFFAOYSA-N 352.369 5.163 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@H](O)Cc2ccccc2)cc1 587905965 OKMFOTHXAQYNJX-JOCHJYFZSA-N 362.856 5.025 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OC(C)C)cc1C(F)(F)F 587913818 JLRCNMWRBRMKED-UHFFFAOYSA-N 368.782 5.554 30 1 FKEF N#Cc1ccccc1-c1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)o1 963101567 DLCMDBBWYMMNOJ-MBSDFSHPSA-N 358.416 5.067 30 1 FKEF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2C[C@@H]3O[C@]3(C)C[C@@H]2[C@H]2O[C@]12C 2356717324 OVEGDGKHYKKMJM-IGSVIUJDSA-N 370.533 5.021 30 1 FKEF C/C(=N\O)c1ccc(Sc2cc([C@]3(C)COC(C)(C)O3)cs2)cc1 13743619 PWCCZPBTYQFXGU-LPGQDOADSA-N 363.504 5.096 30 1 FKEF CCCCCCCCCCCCCCCCOC[C@@H](COCCO)OC 43443288 IHBFZGJTHILDFO-QFIPXVFZSA-N 374.606 5.508 30 1 FKEF C=CC[n+]1cn([C@@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21 95586316 PNUNMLCZSXZJAA-VWLOTQADSA-N 365.456 5.499 30 1 FKEF N#C[C@@H]1C(=N)OC2=C(CC/C2=C\c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 169688677 TWHRUCIPCMHNDR-GJAUAZKXSA-N 362.379 5.327 30 1 FKEF CCC(=O)Nc1ccccc1C#C/C=C\C#Cc1ccccc1C(F)(F)F 45348309 JLDMNZOCZABNMV-ARJAWSKDSA-N 367.370 5.013 30 1 FKEF CCCCCCCCCCCCCC(=O)CCCCc1ccc(O)cc1 85910386 QRFCVQGVDWYZPB-UHFFFAOYSA-N 360.582 7.375 30 1 FKEF biogenic CCCCCCC/C=C\C[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587487613 FTZMIVJOZBUBNA-DGVDTQEHSA-N 358.522 6.375 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Cl)ccc1Br 587898530 MKWSOFGHECQUQB-UHFFFAOYSA-N 370.073 5.359 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(/C=C(\C)C(=O)O)cc1 43411438 HOVYNBHJXFPFGP-QZQOTICOSA-N 374.565 7.254 30 1 FKEF Cc1ccccc1NC1=C(Nc2ccccc2C)C(=O)c2ccccc2C1=O 103091765 NDGOKYAYRUDSIH-UHFFFAOYSA-N 368.436 5.118 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587067090 NDNRWPFDOASILQ-UHFFFAOYSA-N 352.718 5.082 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(NC(=O)OC(C)(C)C)cc1 587898165 FQTANTANXCVUBR-UHFFFAOYSA-N 371.864 5.290 30 1 FKEF CCCCCCC[C@@]1(CC(C)C)NCCc2c(Cl)cc(Cl)cc21 963108258 NGZUQDPRIOVKCI-FQEVSTJZSA-N 356.381 6.741 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@H]([C@@H](C)CCC=C(C)C(=O)O)[C@@H]3[C@H]1C2 2356670827 DSRGCYPGONKDIL-QFZOFJBGSA-N 368.561 6.853 30 1 FKEF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C)=CC[C@@H]12 2356802666 SNIGTACYIZZBCS-NTUKNIGUSA-N 354.578 6.903 30 1 FKEF CCCCCCCCCOC(=O)[C@@H]1CN(CC)CC=C1c1ccccc1 34802091 LOZFSJRXJHXNTK-JOCHJYFZSA-N 357.538 5.316 30 1 FKEF CCCCCCCC[P+](C)(C)CCC/C=C/I 43443077 JNDJMSQZTCJLPT-JLHYYAGUSA-N 369.291 6.353 30 1 FKEF COc1cccc(/C=C/C(=O)c2cccc(-c3cccc(F)c3)c2)c1OC 73197520 QGXQHOMOKXDZKD-OUKQBFOZSA-N 362.400 5.406 30 1 FKEF COC1=C(C)C(=O)C2=C(O[C@]3(CC[C@H]4C[C@@H]3C4(C)C)C[C@H]2C(C)C)C1(C)C 141663384 VKVODVHJICFEHK-HEXHBIBGSA-N 372.549 5.657 30 1 FKEF CC[C@@H](C#N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165201333 SQMPCJVZPXSWCS-LBPRGKRZSA-N 360.438 5.133 30 1 FKEF C=CCOc1ccc(/C=C/C(=O)/C=C/c2cccc(Cl)c2Cl)cc1 169330339 LYNYJPKOMUYYMJ-BBYAVRKXSA-N 359.252 5.854 30 1 FKEF CC[C@@H](Oc1ccccc1F)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587156706 YBZMNIIAHDIYJN-OAHLLOKOSA-N 363.314 5.123 30 1 FKEF CCCCCCC[C@@H]1CCC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587483472 QJHRKKUVWVJJCX-UZUQRXQVSA-N 358.522 6.209 30 1 FKEF CC[C@@]1(c2ccc(N)cc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963191473 OUZZIXCVICBRJD-JWQCQUIFSA-N 367.496 5.045 30 1 FKEF CCCCCCCCN(CCCCCCCC)C(=O)[C@@H](N)[C@@H](C)CC 1857537993 OSODXUUQFMVFBT-SFTDATJTSA-N 354.623 5.909 30 1 FKEF C=C1C=CC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1cc(C(=O)OC)ccc1O 2356800330 PYHPBXCXBLBMJC-AUKDSKBCSA-N 354.490 5.296 30 1 FKEF C=C1CCC[C@]2(C)C=C3C(=C(C)C(=O)N3CCc3c[nH]c4ccccc34)C[C@@H]12 2356806215 VPKBMSCUUZHADP-SQJMNOBHSA-N 372.512 5.519 30 1 FKEF O=C1/C(=C/c2ccccn2)CC(c2ccccc2)C/C1=C\c1ccccn1 3895433 GMSGDJASTCMBDS-NWILIBCHSA-N 352.437 5.090 30 1 FKEF CCCCCCCCCCCCCCCCCCCCOC[C@H](O)CO 85809425 IKSHIHFYUOTYKW-HSZRJFAPSA-N 372.634 6.398 30 1 FKEF biogenic CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3)C2=C(O)C1 101743089 INCVOMVGYBBLFG-IBGZPJMESA-N 355.437 5.465 30 1 FKEF CCCCCCC/C=C\C[C@]1(CC)CC(=O)c2ccc(O)c(CCC)c2O1 587489595 PJAKBGLBBNKNJZ-JPFBCYGGSA-N 372.549 6.766 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)c(Br)c(Cl)c1 587914434 AGLXCUOLIDSXTL-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC(OC)OC 2356403108 ZLHIOIIUQWUZEK-QSGZGMDISA-N 366.542 5.275 30 1 FKEF C=C1C(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\OCCCC)[C@@](C)(CC[C@@H]21)C3 2382258142 WVOGSBFPSGDVGP-KVBWGYJMSA-N 355.522 5.467 30 1 FKEF CCCCCCCCCCCCCCCCCC(=O)C[C@H](O)CCC 86001432 BSEXCTWVVZZKPE-JOCHJYFZSA-N 354.619 7.368 30 1 FKEF endogenous,in-man Cc1ccc(Nc2nc(-c3ccccc3)c(C#N)c(N3CCCCC3)n2)cc1 95592751 AXFYEJKKLUWFOI-UHFFFAOYSA-N 369.472 5.058 30 1 FKEF COc1cc(Oc2c(C)cc(C)cc2C)cc(Nc2ccc(C#N)cc2)n1 103259694 BICVNOQPYZPDCL-UHFFFAOYSA-N 359.429 5.423 30 1 FKEF CCCCCCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817296 BIPXOOKXWUZDMK-RHSMWYFYSA-N 370.350 6.304 30 1 FKEF Cc1ccc2c([C@@H](c3cccs3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1 1857559657 BQJKESRXJVAZPJ-OAQYLSRUSA-N 367.477 6.000 30 1 FKEF COc1ccc(C=CC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC 2356309609 VQVAMBCFTJTKCL-UHFFFAOYSA-N 355.192 5.046 30 1 FKEF CC(C)[C@@H]1C[C@]2(CC[C@@]3(C(C)C)C[C@@H]23)OC2=C1C(=O)C(C)(C)C(=O)C2(C)C 2356339599 QLGACJMERDLYGD-UYADZXDASA-N 372.549 5.332 30 1 FKEF CCCCCCCCC[C@H](C)CCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356404753 WGGHNDTUKMWTHN-DLBZAZTESA-N 351.531 5.175 30 1 FKEF CC(=O)OC1=C(C)[C@H](C=Cc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2C1=O 2356461956 ZZMOWNDJRNFDCJ-RBDMOPTHSA-N 356.462 5.161 30 1 FKEF C[C@H](C=O)CCCCCC[C@H](CCCC=CC(=O)O)Cc1ccccc1 2356684299 QFHJXWNOPQMWPO-LEWJYISDSA-N 358.522 5.832 30 1 FKEF CC(=O)C1=C(O)S[C@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O 101280277 JFLJKSVENTWYMC-DLDPZRJHSA-N 362.535 5.839 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@@H](Cc1ccccc1)c1ccc(Cl)cc1)C2 101998780 DYSNSNPTBCOPJB-FKBYEOEOSA-N 368.908 5.253 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc3ccn(C)c3c2)c2c1C=CC(C)(C)O2 169311486 UHHDYRXJVQZRGC-RMKNXTFCSA-N 373.452 5.267 30 1 FKEF CCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)CCC 86001436 QWHZKWJRMLWHDH-HSZRJFAPSA-N 354.619 7.368 30 1 FKEF endogenous,in-man COc1ccc(/C=C2\CCC/C(=C\c3ccc(OC)c(F)c3)C2=O)cc1F 299832463 GPMPMVGUIFGKDB-OTYYAQKOSA-N 370.395 5.202 30 1 FKEF CCCCCCCCCCCCCC(=O)N1CCC[N@@+](C)(CC)CC1 299844842 XXBGDVCDYCPNCS-XMMPIXPASA-N 353.615 5.386 30 1 FKEF C=CCc1cccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587162076 CCEIMVVHPHLEPS-UHFFFAOYSA-N 371.415 5.350 30 1 FKEF C=CCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348594 ADFCHUXXYIALGQ-JTHBVZDNSA-N 368.448 5.785 30 1 FKEF CC#CCCCCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587956952 NIIDVLOAOBZNLX-UHFFFAOYSA-N 356.819 6.142 30 1 FKEF CC(C)(C)[C@]1(c2ccccc2C#N)NCCc2c(Cl)cc(Cl)cc21 963121547 NCXUSJGELYKMJQ-HXUWFJFHSA-N 359.300 5.300 30 1 FKEF CCCCCCCCCCN1C=CC(=CC=C2C=Nc3ccccc32)C=C1 1857623462 MWFDWMVXDLDNQN-UHFFFAOYSA-N 360.545 7.196 30 1 FKEF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2[C@H]2O[C@]2(C)CC1 1857652351 DUBKRSFKSZSCBP-FYYLOGMGSA-N 370.489 5.221 30 1 FKEF C=C1C[C@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@H]1CC2(C)C 2356374103 NRYDVRYMFVCPIJ-FGOBHCRRSA-N 358.566 5.495 30 1 FKEF CCCCCCCCCCCCCCCC(O)=C1C(=O)CN(C)C1=O 2356475382 ZMXNXJXFLSQPHF-UHFFFAOYSA-N 351.531 5.321 30 1 FKEF C=C1CCCCCCCCCC[C@]12SCC[C@@H]2CCCCSC 1642106 HOFZDTZMKCWGHW-SFTDATJTSA-N 354.669 7.482 30 1 FKEF CC1=C(C)C(=O)C([C@H](CCCCCCC(=O)O)c2ccccc2)=C(C)C1=O 38153662 ATNMGQDSLXGYGL-LJQANCHMSA-N 368.473 5.000 30 1 FKEF c1ccc(CON=C2C[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C2)cc1 43012059 QKSDKDVJNVRIHB-PSWAGMNNSA-N 356.469 5.425 30 1 FKEF CCCCCCCCCCCCCCCNc1ccc2nc(C)cnc2c1 68200586 AVGXNCKVZDJTJR-UHFFFAOYSA-N 369.597 7.441 30 1 FKEF COc1ccc([C@@H]2C=C(c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1 101351166 WRPCQVYBANBKNV-IBGZPJMESA-N 359.469 5.066 30 1 FKEF CCCCCCCCCCCC[C@H](C)CCCCCCC[C@H](C)CC 138522082 DOKZTNHNVIATRD-RPBOFIJWSA-N 352.691 9.710 30 1 FKEF N#Cc1c(/N=C/c2c[nH]c3c2ccc2ccccc23)sc2c1CCCC2 653859612 VGTDIMUFDHKSKN-DHRITJCHSA-N 355.466 5.884 30 1 FKEF CC(C)(C)c1ccc([C@@]2(CC#N)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100738 JBIKMHPEGCUCRV-RDPSFJRHSA-N 362.492 5.301 30 1 FKEF 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CCCC[C@@]1(c2ccccc2)CC(=O)C(SCc2ccccc2)=C(O)O1 13766402 XHUGBDISNAJIRS-QFIPXVFZSA-N 368.498 5.722 30 1 FKEF CCCCCCCCCCCCN=c1ccn(Cc2ccccc2)cc1 42990074 GTXRNGRCDVQAPA-UHFFFAOYSA-N 352.566 6.358 30 1 FKEF N#Cc1ccc([C@@]2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1 72109202 BQCJQWPPYIXPJN-DEOSSOPVSA-N 353.469 5.497 30 1 FKEF CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)C(C)C)CC2)cc1 101460524 MMHMNBIZCXRPHS-PLQXJYEYSA-N 358.634 7.101 30 1 FKEF C=C(C/C(=C\c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1 103275444 ZGFLVCWTJGOVSX-PTGBLXJZSA-N 352.433 5.782 30 1 FKEF CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)s1 103581338 HMBTZCULLHNBMQ-ZMESVYRVSA-N 373.518 5.318 30 1 FKEF C=CCOc1ccc(OCC=C)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587943512 GEBNWGXJYFICJG-UHFFFAOYSA-N 367.395 5.552 30 1 FKEF Cc1ccc(Sc2cc(/C(O)=N/CCC(C)C)c3ccccc3n2)cc1 3658320 DQVXFHLETWMGTF-UHFFFAOYSA-N 364.514 6.045 30 1 FKEF CC(C)n1cc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 13137003 YFELHOOTWHJDJX-FBHDLOMBSA-N 355.825 5.020 30 1 FKEF CCCCC#CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27748035 DVCBEVODQHDPAR-VQTJNVASSA-N 352.518 6.129 30 1 FKEF CCOC(=O)n1c(-c2ccc(C#Cc3ccccc3)cc2)nc2ccccc21 40406468 XRGVOCMXRYGNFU-UHFFFAOYSA-N 366.420 5.108 30 1 FKEF N#C[C@@H](c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)c(Cl)n1 95873034 BVKFWGFJISGLBN-JTQLQIEISA-N 364.676 5.428 30 1 FKEF CCCCCCCCCCCCCCCCCC[C@H]1CCCC(=O)O1 196011737 AMLCHZMSZWOLKV-QFIPXVFZSA-N 352.603 7.734 30 1 FKEF C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)C/C=C/C(C)=O 238779021 KNRXBOCDMJMJJX-NLNPXBQKSA-N 360.538 5.802 30 1 FKEF C=CCc1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135092 SBUMLMOMHYBQSO-BQYQJAHWSA-N 350.290 5.157 30 1 FKEF C=C1C[C@@H]2C[C@H](C1)CC1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587817527 LOMRFZGIBTYUNY-FFQRCRAISA-N 364.302 5.084 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1Oc1cccc(F)c1 587916495 LISITLKGSSSQSA-UHFFFAOYSA-N 352.792 5.680 30 1 FKEF CCN(c1ccc(C#N)c(C(F)(F)F)c1)c1cc(-n2ccnc2)ccc1C 1857546033 NUQAPEMAFOZIPX-UHFFFAOYSA-N 370.378 5.229 30 1 FKEF C=C1C=C(C)[C@@H](Cc2cc(OC)c(Br)cc2O)C(C)(C)C1 13755713 LTVRZWVCODPBKO-CQSZACIVSA-N 351.284 5.254 30 1 FKEF CCCCCCCCCCCCOC(=O)CCCCCOC(=O)OCC 43523839 QLQRWDLQUDTSMY-UHFFFAOYSA-N 372.546 6.184 30 1 FKEF CCCCCC/C(=N/S(=O)(=O)c1ccc(C)cc1)N(CCC)CCC 103198962 VUNPHELFRAWUNV-MRCUWXFGSA-N 366.571 5.175 30 1 FKEF C=CCC/C=C\C#CC#CCCCCCCCC[C@@H]1C[C@@H](COC)OC1=O 199769635 ATRXNBRPMCIVSA-HFGQRXBSSA-N 370.533 5.215 30 1 FKEF C=C(CCCCCCCCCCCC)S(=O)(=O)CCC[N+](C)(C)C 473109553 STMRYPXUWAANQH-UHFFFAOYSA-N 360.628 5.322 30 1 FKEF CCCCCCCCCOC(=O)[C@H]1CN(CC)CC=C1c1ccccc1 34802092 LOZFSJRXJHXNTK-QFIPXVFZSA-N 357.538 5.316 30 1 FKEF CON=C1[C@H]2CC(C)C[C@@H]1[C@@H](c1ccccc1F)N[C@@H]2c1ccccc1F 49032794 VLDQNJVVDNGNJN-YNTKUFNASA-N 370.443 5.015 30 1 FKEF CCCCCCCCCCCCCCCC(=O)NCC(OCC)OCC 73314858 KEXBMUDDYRVGOY-UHFFFAOYSA-N 371.606 5.983 30 1 FKEF CC[C@@H](C)CCCCCCCCCC/C(O)=C1\C(=O)[C@H](C)N(C)C1=O 100090393 QDDWPSIPKTZOEU-BOUUCUSLSA-N 351.531 5.175 30 1 FKEF in-vitro 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CC(C)=CC=C[C@H](C)[C@@H]1CC[C@@H]2C[C@@H]3C(C)=CC(=O)[C@@H]3C(CO)=CC[C@H]12 2356603418 CFKQOOWPLGFWHM-RGSUYGHESA-N 354.534 5.261 30 1 FKEF CCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 13746845 TWSVBZORGBDMKX-IXBCVXAVSA-N 368.561 6.060 30 1 FKEF C[C@@]12CCC3(C=C1CC/C(=C\C=C\c1ccccc1)C2=O)SCCS3 71318867 JFRKMCVUMGBDCG-OOQJXEMHSA-N 368.567 5.892 30 1 FKEF O/N=C(\CSc1ccc(Cl)cc1)c1cc(Cl)sc1Cl 95579920 OHAVFLXUFMEEAN-MHWRWJLKSA-N 352.695 5.679 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@H]4CC[C@@H]13 255259063 PHBLQXXYZFXKQX-CZHOBXFTSA-N 367.577 5.395 30 1 FKEF CCCCCCCCn1cc(CN2CCCCC2)c2ccc(OC)cc21 1772619789 CTBWHMDYTNLKLR-UHFFFAOYSA-N 356.554 5.996 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)cc(O)c1O 2356533602 LYISFTUSDUUZOY-KJSBAXDASA-N 372.505 5.226 30 1 FKEF CSc1nc2c(Nc3ccc(C#N)cc3)c3cc(F)ccc3nc2s1 40394467 LOQMJNWHQKFEPJ-UHFFFAOYSA-N 366.446 5.321 30 1 FKEF CCCS[C@H](CC=C(C)C)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O 40423615 KDHXLIQVAJAIPZ-GOSISDBHSA-N 374.502 5.180 30 1 FKEF N#CCCCSc1nnc(-c2cccc(-c3cccc(Cl)c3)c2)o1 64409771 UMEAWJPQNFGVOA-UHFFFAOYSA-N 355.850 5.453 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC 85922173 WRNWXTDOIICBSH-UHFFFAOYSA-N 366.630 7.966 30 1 FKEF endogenous,in-man N#C[C@@H](C(=N)Sc1ccccc1N)c1cccc(Oc2ccccc2)c1 169718025 NDSXVFBSQKTNEZ-GOSISDBHSA-N 359.454 5.438 30 1 FKEF CCCCCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 205516749 OYIUBWCCKWWJSI-UHFFFAOYSA-N 372.597 6.749 30 1 FKEF CC(C)c1ccc2[nH]c(O)c(N=N/C(S)=N/CCc3ccccc3)c2c1 253915740 AHVAXYFSGAHXDA-UHFFFAOYSA-N 366.490 5.609 30 1 FKEF aggregator CCC[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 299846358 LNLHXQQVDKSMLL-ULGIXDOUSA-N 373.564 5.684 30 1 FKEF N#C[C@H](C(=O)O)C(c1cccc2ccccc12)c1cccc2ccccc12 28865387 XZJITJXRWJIFRG-QFIPXVFZSA-N 351.405 5.349 30 1 FKEF Cc1cc(Oc2ncccc2/C(=N/O)N2[C@@H](C)C=C[C@H]2C)cc(C(C)C)c1 72184294 DREMLMHYXFMESM-ONLTXEECSA-N 365.477 5.090 30 1 FKEF CCCCCC/C=C\CCCCCCC/C=C1/C[C@](C)(CO)OC1=O 85999715 WAOINSYXSKSPET-AOSRDESISA-N 350.543 5.868 30 1 FKEF CCC[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 101505019 LNLHXQQVDKSMLL-FQSWJAQOSA-N 373.564 5.684 30 1 FKEF CCCCCCCCCCCCC/C=C\COc1ccc(C(=O)OC)cc1 169340456 WYAABHWZZBCBQO-NXVVXOECSA-N 374.565 7.109 30 1 FKEF C=CCc1cccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587068069 XXASDMZUJJSYOC-UHFFFAOYSA-N 374.871 5.771 30 1 FKEF Cc1ccc(C)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 587090566 YQSQLMBHSSOTQU-UHFFFAOYSA-N 364.211 5.104 30 1 FKEF Fc1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1C(F)(F)F 587098042 PFQGFXMVMPRFLJ-UHFFFAOYSA-N 364.220 5.286 30 1 FKEF CCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352425 JEDYLIMEGFITHF-GMAHTHKFSA-N 370.464 6.009 30 1 FKEF N#Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587630119 SRHBRYQTAITMJB-UHFFFAOYSA-N 356.681 5.657 30 1 FKEF [N-]=[N+]=Nc1cccc(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)c1 1857563655 SUGUAIZUZDIMJE-UHFFFAOYSA-N 371.356 5.843 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@@H]2C[C@@H]3C(C)=CC(=O)[C@H]3C(CO)=CC[C@H]12 2356603416 CFKQOOWPLGFWHM-FPLCIDSISA-N 354.534 5.261 30 1 FKEF C/C(O)=N\c1cccc(Nc2nccc3c2cc(-c2cccc(F)c2)n3C)c1 82078154 QJPWOKQWRKKHSQ-UHFFFAOYSA-N 374.419 5.731 30 1 FKEF COc1ccccc1-c1ccc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)cc1 587932955 SJASFCBQALTYLN-UHFFFAOYSA-N 359.816 5.431 30 1 FKEF CCCCCCCCC=CCCCCCCC[C@@]1(O)CC(=O)C=C[C@H]1O 2356540484 ZPYABTHUTGWONW-DHIUTWEWSA-N 364.570 5.645 30 1 FKEF CCCCCCCCC=CCCCCCCC(C(=O)O)=C(C)C(=O)O 2356624966 VTTDLGQEAGEBOQ-UHFFFAOYSA-N 352.515 6.120 30 1 FKEF C#CC=CCCCCCCCCCCCCC[C@H](C)CCCCC=CC#C 2356801764 RRXLPNMSOHCSKV-HHHXNRCGSA-N 368.649 8.633 30 1 FKEF CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(-c2cccc(Cl)c2)o1 27546613 NALZNQXQKNYNJW-UHFFFAOYSA-N 369.848 5.013 30 1 FKEF Oc1ccc(/C(Cc2ccc(F)cc2)=N\c2ccc(Cl)cc2)c(O)c1 49525766 AFKJKIPHDVLHBC-NMWGTECJSA-N 355.796 5.254 30 1 FKEF N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(-c2cccc(Cl)c2)c1N 653856837 MSCVENYQTJUTDB-UHFFFAOYSA-N 369.855 5.919 30 1 FKEF CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 169320354 VTOAEHWHEKFQCU-NPTSLVBXSA-N 370.443 5.159 30 1 FKEF C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587191847 SLVFJUWPGYTKOH-VIFPVBQESA-N 365.742 5.247 30 1 FKEF C=CCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587810377 CLESJJLEWFGQDG-JLTOFOAXSA-N 374.297 5.332 30 1 FKEF CCCCCCC[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587812166 IOYDTXFTSIEUNY-KUHUBIRLSA-N 370.350 6.088 30 1 FKEF Oc1ccc2ccccc2c1/C=N/c1ccc(OCc2ccccc2)cc1 1857647636 HZHVILPVXBVZHS-PCLIKHOPSA-N 353.421 5.875 30 1 FKEF C=CC[C@]1(c2ccccc2)Oc2ccccc2-c2nc3ccccc3nc21 66157394 DJHZODULIZYBSS-XMMPIXPASA-N 350.421 5.509 30 1 FKEF CCCCCCC[C@@H](C/C=C/CCC(=O)NCc1ccc(F)cc1)OC 98083253 YOEWQYGUTGZSRG-OEAKIKGJSA-N 363.517 5.544 30 1 FKEF CCC/C=C\C/C=C\CCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 103280899 XBZLKENMOXIMDN-AFJQJTPPSA-N 360.494 5.514 30 1 FKEF COc1ccc(-c2ccccc2C(=O)/C=C/c2ccc(F)cc2)cc1OC 299871652 YZRRAGVXBNQTHE-UKTHLTGXSA-N 362.400 5.406 30 1 FKEF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C#N)c1ccccc1Cl)CC2=O 587459926 FAIXQLBDFTXFGM-KKSFZXQISA-N 369.848 5.029 30 1 FKEF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2[C@H]2O[C@@]2(C)CC1 1857652352 DUBKRSFKSZSCBP-GGAORHGYSA-N 370.489 5.221 30 1 FKEF CN[C@H]1CC[C@]23C[C@@]24CC[C@@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@@H]4CC=C3C1(C)C 2356610468 LUSKLCMHXMKJNA-CLQDMXRCSA-N 367.577 5.443 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)[C@@H](CCC(C)=O)[C@](C)(CC(OC)OC)CC[C@H]12 2356758917 SFHOQLVZWUNZEX-HIHICTBBSA-N 350.543 5.390 30 1 FKEF N#Cc1nc(Cl)cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587164948 ZZBUWWZRSIKBTF-UHFFFAOYSA-N 354.797 5.018 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(Nc2ccc(F)c(F)c2)cc1)CCC=C(C)C 653717547 QIIUBKOQCMQZGA-FTXPHJNYSA-N 367.483 7.660 30 1 FKEF C#CCOc1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1Cl 962667818 VVBFHFNYQOSVHL-DEOSSOPVSA-N 373.883 5.254 30 1 FKEF CC=CC1=CC2=CC(=O)[C@]3(C)O[C@](CCCCCCC)(OC)C[C@H]3C2=CO1 2356546103 ACLSAOLGJZSVPQ-WWNPGLIZSA-N 372.505 5.368 30 1 FKEF N#Cc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1C#N 587063074 MXYGULFVWSMWOC-UHFFFAOYSA-N 368.827 5.217 30 1 FKEF CNc1cccc(-c2cccc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c2)c1 587235901 RVVKDIYBSKZIDR-UHFFFAOYSA-N 358.832 5.464 30 1 FKEF CCCCCCCCCCc1cccc(-c2noc(C3(C(=N)N)CC3)n2)c1 653813278 ARDBWQWRQNWMEN-UHFFFAOYSA-N 368.525 5.387 30 1 FKEF Cc1ccc(-c2csc(N/N=C/c3ccc(N4CCCC4)cc3)n2)cc1 1857633244 RGEPFPXWJMVTTF-HYARGMPZSA-N 362.502 5.165 30 1 FKEF CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1C(C)C 36349562 OGTSCYFCYWRHQJ-UHFFFAOYSA-N 359.598 7.614 30 1 FKEF CCCCCCCCCCCCC(=O)/C=C/CCCCC[C@H](O)CO 82148993 FDTPTCBTCOWJGN-LXKWBGADSA-N 354.575 5.726 30 1 FKEF CCOc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1F 95591559 JTDMGKPEDVEHCR-RMKNXTFCSA-N 368.404 5.010 30 1 FKEF O=C1C/C(=N/c2ccc(Cl)cc2)[C@H](c2ccccc2)N1c1ccccc1 102954920 FBCJWMNOBKLUDV-ATHPHSJWSA-N 360.844 5.591 30 1 FKEF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]3CCc4ccoc4[C@]3(C=O)CC[C@H]21 197189932 BJZJGWCRTFNBRU-BWNQIZJUSA-N 368.561 6.321 30 1 FKEF N#Cc1ccccc1SCc1nc2cccc(OCc3ccccc3)c2[nH]1 586964578 HHXSQRZBHGDAEE-UHFFFAOYSA-N 371.465 5.306 30 1 FKEF N#Cc1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110443 XEDZGMBCEJOILA-UHFFFAOYSA-N 369.268 5.063 30 1 FKEF CCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602532 YNYXIUMIUNAAPQ-NZQKXSOJSA-N 368.473 5.863 30 1 FKEF Cc1cc(Cl)cc2c(C#N)c(-c3cc(C)n(CC(F)(F)F)c3C)[nH]c12 587624410 LELOCEPCBNQJBE-UHFFFAOYSA-N 365.786 5.649 30 1 FKEF COc1ccc2c(/C=C(\C)C(=O)c3cc(C)nc4ccccc34)c[nH]c2c1 1857579213 JVZDTDLSGKNQLS-GXDHUFHOSA-N 356.425 5.319 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC([C@@]34CC[C@@H]5CC[C@H](CC3)[C@@]5(C)N4)=CC(C)=C2C1 2356777227 PQFMZJXBQQHCND-LBUGUDNGSA-N 365.605 6.716 30 1 FKEF CCCCCCC=CC[C@@H](CCCCC)C[C@H](CCCC(=O)O)CNC 2356779229 OSLCIRVTDLVRRQ-YADHBBJMSA-N 367.618 6.580 30 1 FKEF CC(=NCCCN=C(C)C1=C(O)C[C@@H]2[C@@H]1C2(C)C)C1=C(O)C[C@@H]2[C@@H]1C2(C)C 2356823977 GQSYNRVWXDMYPD-RPQNVMPDSA-N 370.537 5.274 30 1 FKEF C=C1[C@H](C)CCC[C@]1(C)CC[C@]1(C)C=Cc2c(O)c(O)cc(OC)c2O1 14589311 WMSMWNWYHIYDCT-ZLUZWTFRSA-N 358.478 5.433 30 1 FKEF biogenic CCCCCCCCCCCCCCCCOC[C@H](COCCO)OC 43443290 IHBFZGJTHILDFO-JOCHJYFZSA-N 374.606 5.508 30 1 FKEF CC(C)(C)c1ccc(Oc2ncccc2/C(=N/O)NC2CCCCC2)cc1 72182566 NBSLQOUURVRUJU-UHFFFAOYSA-N 367.493 5.230 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587067409 YSCPVVGIGYSUKF-UHFFFAOYSA-N 372.855 5.504 30 1 FKEF C[C@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587097944 LTCYJSZSCDBIBJ-LURJTMIESA-N 362.248 5.290 30 1 FKEF CC[C@H](Oc1ccccc1F)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587156703 YBZMNIIAHDIYJN-HNNXBMFYSA-N 363.314 5.123 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)(F)F 587625724 JNEREDPAFNISLK-UHFFFAOYSA-N 363.179 5.259 30 1 FKEF Clc1ccc2c(NCCCN=C3C4CC5CC(C4)CC3C5)ccnc2c1 1857756420 ZNKPPHSDNSEVNY-UHFFFAOYSA-N 367.924 5.587 30 1 FKEF C=CCN1[C@H]2CC[C@@H]1CC(O[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 13861975 QSXQUGAVUQQEHB-HNTVYWHESA-N 367.920 5.627 30 1 FKEF O/N=C(/c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1)N1CCCC1 72141382 LOROIVWXSPDVAT-GYHWCHFESA-N 373.412 5.005 30 1 FKEF CCCCCCC/C=C/C1=C[C@]2(C)C[C@]1(C)[C@@H](CCCCCCC)CC2=O 169294290 MJBOCEQQHSSWGQ-YXMIRTFTSA-N 372.637 8.195 30 1 FKEF CCCCCCCCCCCCCC(=O)N(C)c1ccc(C(=O)O)cc1 169336691 FEKQQQWRIYLWTN-UHFFFAOYSA-N 361.526 6.049 30 1 FKEF CCCCCCCCCCc1cccc(CCCCCCCCCC)[n+]1C 473086716 CMTBGGCLTVSGNV-UHFFFAOYSA-N 374.677 7.878 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1Br 587901849 WSWDIHOKJRVOSF-UHFFFAOYSA-N 356.046 5.164 30 1 FKEF CCCCCCCC(=O)Nc1cccc(-c2csc(NC(C)=O)n2)c1 1857564877 MWVSBFXGTCWVTE-UHFFFAOYSA-N 359.495 5.068 30 1 FKEF CCCCCCCCC=CCCCCCCCc1cccc(O)c1C(=O)O 2356630384 NRSDQEWAMHRTMK-UHFFFAOYSA-N 374.565 7.280 30 1 FKEF Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 2382224399 GUWUIRUTKISCJO-CHHVJCJISA-N 373.191 5.024 30 1 FKEF CCCCCCCCC/C=C\CCCCCCCCCCCCCCC 80878251 WMBVHSUKZBCCIH-VZCXRCSSSA-N 364.702 10.165 30 1 FKEF C=C(C(=O)O)[C@@H](CCCCCC/C=C/CCCCCCCC)C(=O)O 148109975 BQGIGMHUCMNPDK-GNISGLHKSA-N 352.515 5.975 30 1 FKEF CCCCCCCCCCCCCC#CCOc1ccc(C(=O)O)cc1 169344865 AUEFXBBHHZJFGL-UHFFFAOYSA-N 358.522 6.468 30 1 FKEF CC(=O)OCC[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 238730623 ALTBXZDGDFVFGO-VBYBJILESA-N 358.522 5.088 30 1 FKEF C=C1CCC[C@@]2(C)[C@H]1CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)cc(O)c1O 238738300 LYISFTUSDUUZOY-MUDRNCSBSA-N 372.505 5.226 30 1 FKEF C=CCn1c(O)c(N=NC(=S)Nc2cccc(OC)c2)c2ccccc21 299813046 NNDLQZUPXRTXJX-UHFFFAOYSA-N 366.446 5.022 30 1 FKEF aggregator CCCCCCC/C=C\C[C@@]1(CC)CC(=O)c2ccc(O)c(CCC)c2O1 587489600 PJAKBGLBBNKNJZ-UMHMGIAYSA-N 372.549 6.766 30 1 FKEF CC#CCCCCCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 587957118 QAGPQURWONHHJZ-UHFFFAOYSA-N 361.327 5.849 30 1 FKEF C#C[C@]1(O)CC[C@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@@H]3CC[C@@]21C 66322904 PWZUUYSISTUNDW-KEOOTSPTSA-N 364.529 5.228 30 3 FKEF in-man O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 219277458 NXWQVYKPXOJCRK-IAGONARPSA-N 374.386 5.757 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 587906818 UBXDQHJXFWGBAY-UHFFFAOYSA-N 363.800 5.324 30 1 FKEF CCCCSC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O 27651051 JWJVSQSPSJHDRJ-YIEJCQFMSA-N 374.590 5.948 30 1 FKEF C=CCOc1ccc2c(c1)CCc1ccccc1C(CC)=C2c1ccccc1 33649956 UVLCYGIRWXBXTG-UHFFFAOYSA-N 366.504 6.719 30 1 FKEF O/N=C1\CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 40762227 UVRVZIONWIGDLH-FCGZFROESA-N 360.501 5.033 30 1 FKEF CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(OC)c(OC)c1 100885750 YCMYNWSNMYONMK-IBGZPJMESA-N 364.526 5.097 30 1 FKEF biogenic C=CCOc1ccc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497443 AURSYOPGZCTGDR-OAQYLSRUSA-N 368.860 5.490 30 1 FKEF CC=CC1=CC2=CC(=O)[C@]3(C)O[C@@](CCCCCCC)(OC)C[C@H]3C2=CO1 2356546101 ACLSAOLGJZSVPQ-MDNUFGMLSA-N 372.505 5.368 30 1 FKEF COc1cc(C)c(OC)c(CC=C(C)CC(=O)C=C(C)CCCC(C)=O)c1 2356741654 HBQWICVKEPKIDG-UHFFFAOYSA-N 372.505 5.166 30 1 FKEF Cc1ccc(/C=C/C(=O)c2cccc(NC(=O)Nc3ccccc3)c2)cc1 13644538 GUPIFORZKUCKIO-CCEZHUSRSA-N 356.425 5.535 30 1 FKEF COc1cccc(-c2csc(N/N=C(\C)c3cccc4ccccc34)n2)c1 58563654 WOJRVOFWMPMEDD-BUVRLJJBSA-N 373.481 5.808 30 1 FKEF CCCCCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1N(CC)CC 101135558 OQBBUIYBPUQHDG-UYQMRJNESA-N 365.646 6.869 30 1 FKEF CCCCCCCCCCCCCCCCCCCCOC(=O)C(C)C 169622432 WZAACXPWEFGNSY-UHFFFAOYSA-N 368.646 8.227 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1C(F)(F)C(F)(F)F 587913132 XMBHSPHFILYHEM-UHFFFAOYSA-N 360.709 5.403 30 1 FKEF CC1=C[C@H](C)C[C@H](C)CCC[C@H]2C=C(C)[C@H](C)C[C@@]23OC(=O)C(=C3O)C1=O 2356716680 UPNVMWXNMXHNBS-MEQWONMLSA-N 372.505 5.058 30 1 FKEF CCCCCCCCn1cc([C@@H](O)Cc2ccc(Cl)cc2Cl)nn1 72125115 VYKPLZIGCGTCEH-SFHVURJKSA-N 370.324 5.222 30 1 FKEF CC1=C(C)C(=O)C([C@@H](CCCCCCC(=O)O)c2ccccc2)=C(C)C1=O 100821450 ATNMGQDSLXGYGL-IBGZPJMESA-N 368.473 5.000 30 1 FKEF C=CCc1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074624 BOLOBFUYMJYXET-IBGZPJMESA-N 351.881 5.282 30 1 FKEF CCCCCCCCCCCCCCCC(=O)c1coc2ccccc12 587280772 YFICAXOCYRIRMX-UHFFFAOYSA-N 356.550 8.097 30 1 FKEF CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(OC)c(F)c3)ccc21 1857750016 OCSOKMOWOBAEPX-FMIVXFBMSA-N 373.427 5.858 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OCC)C1=O 2356462954 KHYSBNREYPBDKG-BHAGSQDASA-N 372.505 5.060 30 1 FKEF O=C1C=C(c2ccccc2Oc2ccccc2)C[C@@H](c2ccc(F)cc2)C1 61921134 NWDKCUPAWWLGPR-GOSISDBHSA-N 358.412 6.148 30 3 FKEF Cc1ccc(/C=C2\CCC3=CC4(CC[C@@]3(C)C2=O)SCCS4)cc1 71318197 AFKOCTGKVSLVCH-XMJIKXADSA-N 356.556 5.644 30 1 FKEF Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2/C=N\c2ccccc2)cc1 96907239 TYDSILKVZMMKNU-MYYYXRDXSA-N 371.871 6.252 30 1 FKEF CCCCCCCCCCCCCCSc1ccc(C(=O)O)s1 138342493 AYAZXLVWCVKWQX-UHFFFAOYSA-N 356.597 7.240 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2nc3ccccc3o2)cc1 587906745 QWXTUKQNZIDKKW-UHFFFAOYSA-N 359.812 5.557 30 1 FKEF COc1cccc(OC)c1C(=O)/C=C/c1c2ccccc2nc2ccccc12 1857550296 VDMAZUTXXTVDBU-CCEZHUSRSA-N 369.420 5.301 30 1 FKEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](NC(=O)NCCc3ccccc3)[C@H]12 2356609031 YPAHERAMILUYQP-JTOYRKQZSA-N 368.565 5.326 30 1 FKEF CC(C)Cc1ccc([C@@H](C)/C=C2/CC[C@@H](CN3CCCCC3)C2=O)cc1 102852360 ZKLVNVLQZNFKHL-JZNIPWTKSA-N 353.550 5.380 30 3 FKEF CCCCCCCCCCCCCCCCNc1ccc([C@@H](C)O)cc1 43706002 BFZSPMYEQPMVCO-JOCHJYFZSA-N 361.614 7.633 30 1 FKEF Cc1c(Oc2c(C#N)cncc2/C=C/c2ccccc2)ccc2[nH]ccc12 45302548 FNZNXXYVWMRNAP-BQYQJAHWSA-N 351.409 5.706 30 1 FKEF C=C(C)[C@H]1CC[C@H](C)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100654 NVDJPZZPDPTDNW-GOEBONIOSA-N 353.465 6.312 30 1 FKEF CCCCCCCCCc1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587206964 PSVKYQGDTZZBCH-UHFFFAOYSA-N 371.524 7.048 30 1 FKEF Cc1c(F)ccc2c1[C@@](CCc1ccccc1)(c1cccc(C#N)c1)NCC2 962091529 KVMFAJDVLHHHFF-RUZDIDTESA-N 370.471 5.028 30 1 FKEF CC(C)[C@@H]1C[C@@]2(CS1)c1ccccc1CCN2[C@H](C#N)c1ccccc1 963193104 KJGPXMMUHWJYEH-XPWALMASSA-N 362.542 5.166 30 1 FKEF C[C@H](CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356383415 LUSBNLHJBDRRCH-ZBEGUESRSA-N 356.506 5.021 30 1 FKEF CC(C)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356501559 FFRFYWBYDZTBDQ-VVTCJOSFSA-N 368.605 6.983 30 1 FKEF CCCCCCCCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1 43640863 DKSNUZGJFUCANB-UHFFFAOYSA-N 356.554 6.152 30 1 FKEF CCCCCCCCCCCCCCCCCCC(=O)C[C@@H](O)CCC 85922161 VVFQRCWTWFXTJM-QHCPKHFHSA-N 368.646 7.758 30 1 FKEF endogenous,in-man CC[C@@H](C)CCCCCCCCCC/C(O)=C1\C(=O)[C@@H](C)N(C)C1=O 100090399 QDDWPSIPKTZOEU-BNIZFGOISA-N 351.531 5.175 30 1 FKEF in-vitro C=C[C@@](C)(/C=C/c1ccc(-c2ccc(Cl)cc2)cc1)CCC=C(C)C 653731230 PGQMPRGHPKJAEI-KWYINTIXSA-N 350.933 7.959 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=C(SCF)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 3914955 NJRKOHLHHUDPLF-PFIYWFKMSA-N 350.499 5.075 30 1 FKEF C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\c1csc([C@@H]2C[C@@H]2C)n1)OC 3974859 ZZKINJGJVILFOW-DGAUAVPVSA-N 371.590 6.934 30 1 FKEF C[n+]1cccc(N(CCCCCC2CCCCC2)c2cccc(C#N)c2)c1 66166401 DRTHJNMRZYNCSV-UHFFFAOYSA-N 362.541 5.662 30 1 FKEF CC1=CCCC(C)(C)[C@H]1/C=C/C(=O)/C=C/c1cc(C(F)(F)F)ccc1F 101606357 VXOCWXYAIIJLMS-LVKLHIQXSA-N 366.398 6.366 30 1 FKEF CCCCCC/C=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990390 CYXROWCNDTVJNU-YFHOEESVSA-N 357.453 6.135 30 1 FKEF FC(F)(F)Sc1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 587089325 AJFMQTLZLIYHKQ-QMMMGPOBSA-N 352.662 5.098 30 1 FKEF C=CCC(C)(C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587954266 LQRNKCGKHCSPHJ-UHFFFAOYSA-N 351.288 5.214 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@]1(C)CC=C(C(=O)O)CCC=C(C)CC[C@H]12 2356628797 FSKFLBQJBSQQKA-FSHOYSFVSA-N 370.577 6.933 30 1 FKEF CCCCCCCCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C 230469527 BVBISCLEXKZRHD-BSYVCWPDSA-N 364.614 7.923 30 1 FKEF CC(=O)OC[C@@H]1O[C@@]1(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 238731622 JKDTUPIBGMGXAM-LGGPRVQUSA-N 354.575 6.146 30 1 FKEF N#Cc1nc(Cl)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587051090 RUSBYYUMGSFZPS-SFYZADRCSA-N 363.635 5.061 30 1 FKEF C=C(C)[C@@H]1CC=C([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587822250 JLXJYRKFMSEMIP-VPZZIHKRSA-N 364.302 5.466 30 1 FKEF CCCCCCCCn1cc(COc2ccc(-c3ccccc3)cc2)nn1 1772618605 ONLKRAVUKROCHH-UHFFFAOYSA-N 363.505 5.885 30 1 FKEF CCCCCCCCCCCCN=Cc1[nH]c(-c2ccc[nH]2)cc1OC 2356344046 YGDMZCDTTXTBHS-UHFFFAOYSA-N 357.542 6.358 30 1 FKEF C[C@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 43064455 YNCUBWWVYADNTK-KKZXPTJSSA-N 370.496 5.671 30 1 FKEF O=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1 59796579 GREKRRJHAWDIHC-SUJVXMJXSA-N 362.498 5.623 30 1 FKEF COc1ccc([C@H]2C=C(c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1 101351170 WRPCQVYBANBKNV-LJQANCHMSA-N 359.469 5.066 30 1 FKEF N#Cc1cc(Cl)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587049519 MHBMEZUILPIQIP-ZJUUUORDSA-N 362.647 5.666 30 1 FKEF Fc1cc2[nH]c(Cc3ccccc3C(F)(F)F)nc2cc1C(F)(F)F 587107858 WSKYYFQIRWUOCJ-UHFFFAOYSA-N 362.248 5.330 30 1 FKEF C=CCCCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366637 XVTZWFPPTPYKLY-UHFFFAOYSA-N 371.480 6.864 30 1 FKEF CCCCCc1ccc(C#Cc2ccc(OCc3ccccc3)cc2)cc1 1857758324 OIAXDDCFTMZLDY-UHFFFAOYSA-N 354.493 6.398 30 1 FKEF CCC=CCC=CCC=CCC=CCC=CCC=CCCCCCCCC 2356790523 FRIJIRDUBSEUQT-UHFFFAOYSA-N 368.649 9.435 30 1 FKEF O=c1c2ccccc2n(CCC/C(O)=N/c2ccccc2F)c2ccccc12 6720399 DCEOYAXEAVKVKY-UHFFFAOYSA-N 374.415 5.362 30 1 FKEF C[C@H](C=O)[C@@H]1CC[C@H]2/C(=C/C=C3CCC4(CC3)OCCO4)CCC[C@]12C 26644725 FVCXSAIIJRCXNN-DFSSIAMFSA-N 358.522 5.208 30 1 FKEF O=C1C(Sc2ccccc2)=C(Sc2ccccc2)C(=O)c2[nH]ccc21 28817977 JLTQDLWJDBGUNM-UHFFFAOYSA-N 363.463 5.190 30 1 FKEF CCCCCCC[C@H](C/C=C/CCC(=O)NCCc1ccccc1)OC 72175752 VPNLGLXHRKAYHD-QWDXWUACSA-N 359.554 5.447 30 1 FKEF C=C[C@H](OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1ccc(OCC)c(OC)c1 103213802 NTCIBNHPEUHQOT-ZWOKBUDYSA-N 358.478 5.103 30 1 FKEF C=CCN1[C@H]2CC[C@H]1CC(O[C@H](c1ccccc1)c1cccc(Cl)c1)C2 195290383 MMRRATOYUMFVAD-QNWVGRARSA-N 367.920 5.627 30 1 FKEF CCCCCCCSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253637701 KJSNNKBWTXQJLG-DZKOMRIYSA-N 368.583 5.685 30 1 FKEF C[C@@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356488558 RDEAHSQXFDTFBM-PVDMVPRFSA-N 368.517 5.187 30 1 FKEF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)C(C(C)=O)=CC[C@]2(C)[C@@H]4CC=C3C1(C)C 2356610470 LUSKLCMHXMKJNA-ZWQPWIDKSA-N 367.577 5.443 30 1 FKEF CCCC/N=C\N1c2cc(OC)ccc2-n2cccc2[C@@H]1c1ccccc1 263590258 FCGBHFNRQDBSEG-HBVBNRCBSA-N 359.473 5.224 30 3 FKEF CC(C)(C)C(=O)Sc1ccc(C#N)cc1NC(=O)C1(C)CCCCC1 26577937 QMLICKOJATUAGV-UHFFFAOYSA-N 358.507 5.132 30 1 FKEF C=C1CC[C@H]2C(C)(C)C[C@@H](OC(C)=O)C[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O 85992317 VMWOMELLRUSCGH-GASUILBMSA-N 362.510 5.138 30 1 FKEF CCCCCCCCCCCCCCC[C@@H](C)CCCCCCCCC 138471576 RHENQGFBBBFHIL-SANMLTNESA-N 366.718 10.245 30 1 FKEF O/N=C(\COc1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1 473132471 SYXPSCXUPIYGCL-OCOZRVBESA-N 353.421 5.764 30 1 FKEF C=C1CC(c2nc3c(C)ccc4c3c(c2CCOC)-c2ccccc2C4=O)C1 587097038 NUSQVLGFPSZARW-UHFFFAOYSA-N 369.464 5.377 30 1 FKEF COc1ccc(/C=C2\CCC/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1 1857634386 SXODBZHSINDVNZ-WSGPNKEYSA-N 373.279 6.222 30 1 FKEF CCCCCCCn1c(C(=O)/C=C/c2ccc(F)cc2)nc2ccccc21 1857775019 ICPAGTCPRREWDM-DTQAZKPQSA-N 364.464 6.042 30 1 FKEF C=CC[C@H](CCC(C)=CC=CCCC=C[C@@H]1CSC([C@H]2C[C@H]2C)=N1)OC 2356504964 LUEYTMPPCOCKBX-YSFYHYPLSA-N 373.606 6.367 30 1 FKEF CCCCCCCCCCCCCCC/C=C\C=C/C(=O)NCC(C)C 111481386 LMZPUHBJSQVRHE-IBNZCFEPSA-N 363.630 7.352 30 1 FKEF CCCCCCCNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(CC)[C@H]2C1 169369593 GTJDKKGEHMPRJD-UNMCSNQZSA-N 358.526 5.174 30 1 FKEF CCCCCCCCc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991188 LXDUEYJBUOCSNA-UHFFFAOYSA-N 373.496 6.363 30 1 FKEF Cc1ccc2c3c(cc(-c4cccc(N=[N+]=[N-])c4)nc13)-c1ccccc1C2=O 587098682 SBUYZHIFTJKVPV-UHFFFAOYSA-N 362.392 6.363 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@@H](C)[C@]2(C)Cc1cc(C(=O)OC)cc(O)c1O 2356533601 LYISFTUSDUUZOY-BZHLCIIWSA-N 372.505 5.226 30 1 FKEF C=CCCCCCCCCCCCCCCCC=CC=CCCCCCC 2356681479 WADIPXFBWUBLCI-UHFFFAOYSA-N 374.697 10.107 30 1 FKEF CCC[C@]1(CCc2ccccc2)CC(=O)C(Sc2ccccc2)=C(O)O1 28473102 BWVJQBVUFAFUQS-QFIPXVFZSA-N 368.498 5.667 30 1 FKEF COc1cccc(/C=C/C(=O)c2sc(Nc3ccccc3C)nc2C)c1 64513788 TVBGOMBXZVTAEC-VAWYXSNFSA-N 364.470 5.408 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)CC(CN[C@]3(C)CCC[C@H]3CCCO)=CC(C)=C2C1 85550164 ILPMMOFUNUDHKX-BPJRBCGYSA-N 371.609 5.936 30 1 FKEF biogenic,in-vitro CN1C[C@H](c2ccccc2)C/C1=N\C(=O)Nc1c(Cl)cccc1Cl 169315601 RQVSVWHCCVRPOO-IQQDNESTSA-N 362.260 5.043 30 1 FKEF CCCCCC#CC[n+]1ccn(CCCCCCC[Si](C)(C)C)c1C 195349816 GUIITDLJSGKXJM-UHFFFAOYSA-N 361.670 5.956 30 1 FKEF CCCCCCCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526052 QIFRIYFPVYFWHC-HXUWFJFHSA-N 356.550 6.820 30 1 FKEF COC1=C(C)C2=C(C(=O)C1(C)C)[C@H](C(C)C)C[C@]1(CC[C@]3(C(C)C)C[C@@H]13)O2 2356332559 GANQKRZEIAHQPL-GVAOLFSASA-N 372.549 5.657 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(CO)=CC[C@H]12 2356710521 GUXDHNIKRQCWIE-ZPOGUGMZSA-N 368.561 5.651 30 1 FKEF [N-]=[N+]=Nc1ccc2c(Nc3ccc(C(=O)O)cc3)c3ccccc3nc2c1 26837887 GULYLTIQNWOTCD-UHFFFAOYSA-N 355.357 5.772 30 1 FKEF C=C1[C@@H](CC(=O)OCCCCCCCCCCCCCCCC)C1(F)F 43285000 TWZVMNUMDBQXNQ-HXUWFJFHSA-N 372.540 7.222 30 1 FKEF CCCCCCCCCCc1cn(CCc2ccc(OC)c(OC)c2)nn1 84604682 KTDQYMDJNNREHX-UHFFFAOYSA-N 373.541 5.221 30 1 FKEF C/C=C1\[C@H]2C=C(C)C[C@]1(/N=C\C(C)=C\c1ccccc1)c1ccc(=O)[nH]c1C2 169313705 UPNJKBJOFORQKA-IZAUGNTQSA-N 370.496 5.213 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C#N)c2c1 587639553 ZMBFIKLAAFSDGV-GFCCVEGCSA-N 353.263 5.983 30 1 FKEF N#Cc1c(/N=C/c2c[nH]c3c2ccc2ccccc23)sc2c1CCCCC2 653861107 CWRTUMAJKQZJPO-VULFUBBASA-N 369.493 6.274 30 1 FKEF C=C(CC/C=C(\C)CCC=C(C)C)[C@@H](O)Cc1c(O)cc(C)c(C=O)c1O 35907033 WQEXSQPMWIFHOZ-DCINASHKSA-N 372.505 5.151 30 1 FKEF CCCCCCCCCCCCCC[C@H](CN)NC(=O)OC(C)(C)C 38152013 WFHLXOBAUMFTBL-LJQANCHMSA-N 356.595 5.930 30 1 FKEF CCCCn1c(-c2ccc(C#Cc3ccccc3)cc2)nc2ccccc21 40900329 COWGIFPHNNXPTQ-UHFFFAOYSA-N 350.465 5.903 30 1 FKEF CCCCCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66260269 VUPZKDMSBBHSOJ-VAFBSOEGSA-N 370.577 6.340 30 1 FKEF CCCCCCCS[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O 253637641 KCOKBDWYBNXFCM-NZSMFVNISA-N 354.556 5.437 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H]1OC(=O)C(C)=C1C(=O)O 1772643730 ZOZVMQGVRDVZLD-IBGZPJMESA-N 366.542 6.184 30 1 FKEF COc1cc(OC)c(C(=O)/C=C/c2ccc(F)cc2)c(OCC=C(C)C)c1 1857746199 PKWJJLYCPLHZIH-JXMROGBWSA-N 370.420 5.084 30 1 FKEF CC(=O)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356647614 CIPWTUUCAJDQRQ-ZKTYBDAZSA-N 368.561 5.916 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)C(=CC)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2356687954 HDJAPAUXOZLNPO-UVWAZABOSA-N 367.577 5.395 30 1 FKEF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1cccs1)C2=O 28568442 NTDFYDJSLAOTRY-FGUYLRDNSA-N 364.510 5.572 30 1 FKEF in-vivo C=CCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)c(CC=C)c2)cc1 103267812 BFQGYZGYWNQDNO-INOXDZRUSA-N 360.453 5.284 30 1 FKEF CCCCCCCS[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 167927625 KCOKBDWYBNXFCM-IZYDRCSDSA-N 354.556 5.437 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccc(C)cc1)N[C@H]2c1ccc(C)cc1 253782663 SYTQKDUUDPBAEW-KUFOVGBCSA-N 362.517 5.498 30 1 FKEF N#Cc1ccccc1SC1=C(O)C[C@@H](c2cccc(Cl)c2)CC1=O 299830904 ZDEZLGRSCYAAJW-CQSZACIVSA-N 355.846 5.220 30 1 FKEF N#CC1(c2ccccc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587506170 OBWOAVOZKRUVMG-UHFFFAOYSA-N 371.480 5.305 30 1 FKEF Cc1cc(Cl)cc2c(C#N)c(-c3ccccc3OC(F)(F)F)[nH]c12 587624229 GSEYQIVYADRQGI-UHFFFAOYSA-N 350.727 5.567 30 1 FKEF C=C1C[C@@H]2C[C@H](C1)CC1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816627 BMNDFSYDIYPUJP-FFQRCRAISA-N 364.302 5.084 30 1 FKEF N#CCCCCCCCCN=c1c2c([nH]c3cc(Cl)ccc13)CCCC2 1772595798 YIVIMRJKTCDIOF-UHFFFAOYSA-N 369.940 5.855 30 1 FKEF CCCCCCCCn1cc(CN2CCC(C)CC2)c2cccc(OC)c21 1772657283 GPCKOFMBVQMYMW-UHFFFAOYSA-N 370.581 6.242 30 1 FKEF CCCCCCCC=CCCCCC1=C(C)N(C(=O)c2ccccc2)CC1 2356592717 IDXJZUDVUAIXPB-UHFFFAOYSA-N 367.577 7.284 30 1 FKEF COc1ccc(-c2sc3ccc(OC)cc3c2C#Cc2ccccn2)cc1 36388696 KKLIUQGRJMMTIH-UHFFFAOYSA-N 371.461 5.380 30 3 FKEF C=CCC[C@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C 13560793 UHCPLNBCYFXVSL-PUHATCMVSA-N 366.480 5.084 30 1 FKEF C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc(C2(CCCCCC)CC2)cc1O 13819858 ZAIIZDMGLNYKSN-SFTDATJTSA-N 368.561 7.116 30 1 FKEF CCN(/C(=C\C(=O)/C=C/C1=C(C)CCCC1(C)C)SC)c1ccccc1 28707647 HJAZNBZTZSCSKL-MJNKKUJBSA-N 369.574 6.369 30 1 FKEF CCCCCCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1 44405902 OCWJDKSUWNXJNL-UHFFFAOYSA-N 368.473 6.171 30 1 FKEF COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2O)c2c1C=CC(C)(C)O2 84671763 GNFVNLCVSRZKNE-QPJJXVBHSA-N 370.832 5.135 30 1 FKEF CCCCCCCCCC(=O)N[C@@H](C(=O)c1ccc(C#N)cc1)C(C)C 84705023 JEZYRPUMEHJVEN-OAQYLSRUSA-N 356.510 5.022 30 1 FKEF CCC1=C(O)c2c(oc(-c3ccc(C)c(C)c3)cc2=O)C(CC)(CC)C1=O 102229867 NUFRNLJKQMNIIP-UHFFFAOYSA-N 366.457 5.243 30 1 FKEF CC[C@H](C#N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165201444 SQMPCJVZPXSWCS-GFCCVEGCSA-N 360.438 5.133 30 1 FKEF Cc1c(F)ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095403 XNDCEOHQPLFWPG-UHFFFAOYSA-N 362.248 5.715 30 1 FKEF C#C[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587366775 MSBSIJWUJAZGRI-HNNXBMFYSA-N 353.421 5.395 30 1 FKEF CCCCCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818575 ISBYRLCIROSQQU-IFXJQAMLSA-N 370.350 6.304 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(-c2ccccc2)nc2ccccc12 587911627 XWMOWJQLMGJIGG-UHFFFAOYSA-N 369.851 5.964 30 1 FKEF C=CCc1cc([C@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)ccc1OC(C)C 962946950 MKEAOZOIMGOGET-YADARESESA-N 374.528 5.697 30 1 FKEF N#CCCCC[C@]1(c2cccc(C#N)c2)c2ccc(F)cc2C[C@H]2CCCN21 963097431 FFGSGUOJPCYHCO-VWNXMTODSA-N 373.475 5.045 30 1 FKEF N#Cc1ccccc1-c1cc(-c2ccsc2)cn(-c2ccccc2)c1=O 34335849 PYEKXHCYVSBIMU-UHFFFAOYSA-N 354.434 5.105 30 1 FKEF CCCCCCCCCCCCCCC(=O)CCCCCCCCCC 95914239 FXSZWEOTLFFSJA-UHFFFAOYSA-N 366.674 9.178 30 1 FKEF biogenic,in-vitro O=C(/C=C/c1ccc(O)cc1)c1c(O)cccc1OCCC1CCCCC1 169353922 OVGQBGOOYNTDSC-SDNWHVSQSA-N 366.457 5.343 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)C(C)(C)CCC2(C)C 587907506 MQCNARKQHUYQGT-UHFFFAOYSA-N 366.932 6.406 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(C(=O)O)c2)cc1 587918682 DYYILVGFMKHKBG-UHFFFAOYSA-N 368.841 5.175 30 1 FKEF C=C(C)[C@@H]1CC2=C(C)C=C[C@]34C[C@H](C5(O)CCCC5)C[C@@H]3CC[C@@H](C1)[C@]24C 2356545142 NFJOKXMTRSOFNT-QDBPOVDSSA-N 366.589 6.593 30 1 FKEF C=C(CNC(=O)CCCC[C@@H]1C[C@H]1CCCCCCCCC)C(=O)OC 2356834225 KMJVEGYVYIPRJF-WOJBJXKFSA-N 365.558 5.169 30 1 FKEF CC(C)[C@@H]1C=C[C@@]2(C)OC3=C(C(=O)C(C)(C)C(=O)C3(C)C)[C@H](C(C)C)[C@H]2C1 2382248364 CSYLCVIIBKDWLG-FBPDVEOQSA-N 372.549 5.354 30 1 FKEF CCCN(CCC)[C@@H]1CCC2=C(CCC/C2=N\OCc2ccccc2)C1 27410574 FFMNBPGWAAZQPB-VANSDEMISA-N 354.538 5.714 30 1 FKEF CCCCCCCCCCCC(=O)c1c(C)c(CCC(N)=O)n(C)c1C 73224855 QILGLFXHHFIEBV-UHFFFAOYSA-N 362.558 5.163 30 1 FKEF C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cncc(F)c1 141060110 WSFZIYLNMPMOAE-NHFPKVKZSA-N 363.476 5.522 30 1 FKEF CCCCCCCC/C=C\CCN/C=C1\N=C(c2ccc[nH]2)C=C1OC 238731968 IUSWBEITQAMHQU-FMJVIDCTSA-N 355.526 5.476 30 1 FKEF COc1ccc(Cl)cc1C#CCc1c(Cl)cccc1Br 587899000 WNJHPRPVIDLORH-UHFFFAOYSA-N 370.073 5.359 30 1 FKEF CCOc1ccc(C#Cc2cc(Cl)ccc2OC)c(C(F)(F)F)c1 587914023 SWAGELKKZGXHKA-UHFFFAOYSA-N 354.755 5.166 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cccc(SC(F)(F)F)c1 587914423 FUMXFRVNPQICET-UHFFFAOYSA-N 356.796 5.555 30 1 FKEF CCCCCCCCC[C@H](C)[C@@H]1c2ccsc2CCN1Cc1ccco1 962712590 VDYDOQNXTKUAFF-WMZHIEFXSA-N 373.606 7.217 30 1 FKEF N#Cc1ccc2[nH]c(-c3ccccc3)c([C@@H](C[N+](=O)[O-])c3cccs3)c2c1 1857597616 LGNKRYCADOAUNE-KRWDZBQOSA-N 373.437 5.177 30 1 FKEF CCCCOc1ccc(C=Nc2ccc(C=CC(=O)OCC)cc2)cc1 2356874158 YTHHDEGKTDSWIO-UHFFFAOYSA-N 351.446 5.192 30 1 FKEF Clc1cccc(/C(Cc2nc3ccccc3[nH]2)=N/Nc2ccccc2)c1 13139965 KTSSXWGFRCFMAD-LHLOQNFPSA-N 360.848 5.275 30 1 FKEF CCCCCCCCCCCCCCCCCCCC[C@@H](C)CCCC 118601710 YEIGKGQALVCSKG-SANMLTNESA-N 366.718 10.245 30 1 FKEF biogenic CCCCCCCCCCCCC[C@@H](C)CCCCCCCCCC 118606558 ROVQLBOPXKELIT-VWLOTQADSA-N 352.691 9.854 30 1 FKEF CCCCCCC/C=C\C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525862 SHCCIHHQIQECEV-BYMZIJLFSA-N 354.534 6.596 30 1 FKEF CCCCCCCCC=CCCCCCCCCCC=Cc1ccco1 2356579393 BAYGQECOINCQJZ-UHFFFAOYSA-N 358.610 9.111 30 1 FKEF CC1(C)CCC[C@]2(C)[C@@H]3C=C4C(=CC(=O)C(O)=C4Cl)O[C@H]3CC[C@@]12C 27656854 HXKJEPAKJQIAJD-QSAODZJUSA-N 362.897 5.419 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N[C@@H]1CCCCNC1=O 44221732 QSHMDHRLQGJACA-HXUWFJFHSA-N 366.590 5.253 30 1 FKEF C[C@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 58655366 YNCUBWWVYADNTK-NXMVVPIOSA-N 370.496 5.671 30 1 FKEF CCCCCCOP(=O)(CCCN(O)C(C)=O)OCCCCCC 73158236 ZOXKUFPGKXEZOY-UHFFFAOYSA-N 365.451 5.001 30 1 FKEF C=C[C@@H](C)CC[C@H](C[C@H]1O[C@]1(C)CCCC(C)C)C(=C)CCCC(C)C 102191555 YOCDPWQZFQLBCY-WJNCPCKPSA-N 362.642 7.961 30 1 FKEF CCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 169621964 OVQSZVCJOZKJGA-UKTKCZHSSA-N 364.614 8.225 30 1 FKEF C=C(NNc1c(Cl)cncc1Cl)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 261127416 KMNFSRZPPPGIQT-DFDFAMMDSA-N 366.336 5.815 30 1 FKEF C=CCc1cccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c12 587014055 GUPKPNQKOSWXGT-UHFFFAOYSA-N 365.889 6.044 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cnn(CC(C)C)c2)cc1 587906881 XPEDXLFSLXRRFA-UHFFFAOYSA-N 364.876 5.268 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CC=CC(C)=O 2356684047 KNRXBOCDMJMJJX-WDIUULMDSA-N 360.538 5.802 30 1 FKEF COc1ccc(/C=C/C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1 64560011 FNOHGQLYSMTJLD-FMIVXFBMSA-N 362.513 6.249 30 1 FKEF CCCCCCCS[C@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 169343632 KCOKBDWYBNXFCM-ZBUQRVSESA-N 354.556 5.437 30 1 FKEF Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)cc1 587626809 XRRFZEBCYRNOSY-UHFFFAOYSA-N 368.280 6.053 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cn(C(C)=O)c2cccc(Cl)c12 587911006 DOAMAOGRYBTJKQ-UHFFFAOYSA-N 358.224 5.017 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ncc2ccccc2c1Br 587913071 GPPRJBLOJRVSCI-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF O=C(O)/C(O)=C/C(=O)c1cc(C2CCCCC2)ccc1C1CCCCC1 1857635144 JUSJHTODTYGLHO-STZFKDTASA-N 356.462 5.491 30 1 FKEF CCCCCCCc1ccc(CCCCCCC(=O)C(F)(F)F)cc1 34803430 YREDSBNIPSUDPA-UHFFFAOYSA-N 356.472 6.824 30 1 FKEF CCCCCCCCCCCCCCCCCCCCCCCC=O 62240025 HGINZVDZNQJVLQ-UHFFFAOYSA-N 352.647 8.787 30 1 FKEF biogenic,in-vitro COc1ccc(C(=O)/C=C/c2ccccc2Cl)c2c1C=CC(C)(C)O2 84705970 AJGYKBPRSPHNDX-CSKARUKUSA-N 354.833 5.429 30 1 FKEF CC[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 101505058 KVABVPFNUZZHGO-AGLKKYBESA-N 359.537 5.294 30 1 FKEF CCCCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@]2(C)C=CC(=O)C=C12 253994867 WLAOFEXUHCVHAH-YWGMFCIVSA-N 354.534 5.670 30 1 FKEF Cc1ccc(-c2ccc(-c3nc4cccc(C#N)c4[nH]3)c(Cl)c2)cc1F 587145112 IBVWSTAXRBSNRT-UHFFFAOYSA-N 361.807 5.870 30 1 FKEF CCCCCCCCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526051 QIFRIYFPVYFWHC-FQEVSTJZSA-N 356.550 6.820 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c([C@H]3CCN3C(=O)OC(C)(C)C)c(C#N)c2c1 587643207 RVUUKRCEUCUBIW-FZKQIMNGSA-N 353.466 5.235 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)ccc1Oc1ncccc1C#N 587900211 KRYHRNNZYYMEHM-UHFFFAOYSA-N 374.827 5.116 30 1 FKEF COc1cc(/C=C2\CCC/C(=C\c3ccc4ccccc4c3)C2=O)ccc1O 653694231 SZHPSMHHDAOGCD-NNFYUIBOSA-N 370.448 5.774 30 1 FKEF CSC(=O)N1CC2(CCCCC2)CN/C1=N\c1cccc2ccccc12 49573636 QGYFKWAMDALPDG-UHFFFAOYSA-N 367.518 5.166 30 1 FKEF N#Cc1ccc([C@]2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1 72109203 BQCJQWPPYIXPJN-XMMPIXPASA-N 353.469 5.497 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCn1sccc1=O 144924960 OEEUDMQIFYKWCU-KTKRTIGZSA-N 351.600 6.947 30 1 FKEF CCCCCC/C=C/CCCCCCCCCC(=O)NP(=O)(O)O 169323552 GABVLHQFVGCAKA-BQYQJAHWSA-N 361.463 5.233 30 1 FKEF CC(=O)/C=C/C=C/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C=C/CC(=O)O 215857409 BPKMPDBOJSCKEJ-OZGBGFGBSA-N 362.469 5.612 30 1 FKEF Cc1c(Cl)ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 586910239 NRKLLLDPXRRVCG-FQEVSTJZSA-N 374.912 5.174 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2nnc(C(C)(C)C)o2)c1 587904941 FMXPLBRMAZLTCW-UHFFFAOYSA-N 366.848 5.096 30 1 FKEF COc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C#N)-c1ccccc1C2 1857746468 MVRXSINTIXMYCC-UHFFFAOYSA-N 367.235 5.507 30 1 FKEF Cc1nc2ccccc2c(-c2cccc(C#N)c2)c1[C@H](OC(C)(C)C)C(=O)O 1857773084 CQMBITYUXVLLHE-NRFANRHFSA-N 374.440 5.023 30 1 FKEF CCC=CCC=CCC=CCC=CCC=CC[C@H]1O[C@H]1CCC(=O)OC 2356437528 WBYKJDXNMZXEMM-YADHBBJMSA-N 358.522 5.849 30 1 FKEF CC[C@H](C)CCCCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356438055 QDDWPSIPKTZOEU-DLBZAZTESA-N 351.531 5.175 30 1 FKEF CCCCCCCCC=CCCCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O 2356625609 SNHBFKBOZVBFIT-FDFHNCONSA-N 366.586 6.336 30 1 FKEF N#Cc1c(-c2ccccc2)c(NCCc2ccccc2)n2c(Cl)cccc12 36185209 WKQCQMAPIZOSBQ-UHFFFAOYSA-N 371.871 5.786 30 1 FKEF CC1=C(/C=C/C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C(C)(C)CC[C@H]1O 40914810 ZDQCTNQLBLFXHK-HQMMISPZSA-N 364.407 5.341 30 1 FKEF CCCC1(CCC)CC(=O)C([C@@H](c2ccccc2)C2CCCC2)=C(O)O1 100785584 SGBAGHCZRVBUPI-FQEVSTJZSA-N 356.506 6.058 30 1 FKEF C[C@@H]1/C(=N\OCc2ccccc2)C[C@H](c2ccccc2)O[C@@H]1c1ccccc1 169299417 DAMINAFEYWJFDP-CCLLGJHBSA-N 371.480 6.098 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)nc2c(C)c(Cl)ccc12 587911000 DJFRCCQQASMKRC-UHFFFAOYSA-N 356.252 5.567 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(C)sc2C)cc1 587920928 PBTMCNAKRIATOF-UHFFFAOYSA-N 353.874 5.489 30 1 FKEF C[C@H]1CCC/C(=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1 64564961 ICSPLQZPXDQLPF-IRTGHPOMSA-N 354.306 6.095 30 1 FKEF CC(=O)/C(=C/c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)c1ccccc1 473247748 GZERZXJULKJAFT-PGMHBOJBSA-N 365.432 5.690 30 1 FKEF C=CCc1cccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 587030334 CWYZSTJLRHFZGK-OAHLLOKOSA-N 373.525 6.250 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600788 BMJQLIVUNKNKCK-BORIIKKCSA-N 364.441 5.105 30 1 FKEF CCCCCC/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821168 STQZZHPWFUJRCB-LKVBTMTGSA-N 354.307 5.690 30 1 FKEF CCOc1cc(C)c2cc(C#Cc3cc(Cl)ccc3OC)ccc2n1 587908964 NEKAIVJTJYZLCD-UHFFFAOYSA-N 351.833 5.004 30 1 FKEF CCCCCCCCSC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 73138423 NTWXQEZDQVFOIQ-VAWYXSNFSA-N 366.523 5.346 30 1 FKEF C=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(CC[C@H](CC)CCC)cc1OC2(C)C 89455868 GJCFMSBZHLMSFO-MISYRCLQSA-N 356.550 6.762 30 1 FKEF CON=C1[C@H]2CC(C)C[C@H]1[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 169361832 IDVQFEASHNUUHC-DJLNSYSYSA-N 370.443 5.015 30 1 FKEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772606276 VKTLHHJWBGZZJJ-YZTMIDEFSA-N 369.593 5.619 30 1 FKEF CCCC#CCCCCCCCCCC=CC=CC#CCCC(=O)OCC 2356479512 SKWPMUSILJABEC-UHFFFAOYSA-N 370.577 6.760 30 1 FKEF CCC[C@]1(c2ccccc2)CC(=O)C(SCc2ccccc2)=C(O)O1 13766401 LCHYVZUTNRARNR-OAQYLSRUSA-N 354.471 5.332 30 1 FKEF CCCCCC/C=C\C[C@H](CCC(C)C)C[C@H](CCCC(=O)O)CNC 85506157 PYWWKUDSWNSNSL-WTKPUWKFSA-N 367.618 6.436 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)NCc1ccc(F)cc1 96282628 YVEQQWIQJMNDAK-UHFFFAOYSA-N 363.561 6.923 30 1 FKEF biogenic CCCCCCCCCCCCCCCCOc1ccc(C(=O)O)o1 138342624 HEHRBKHRSOKFEW-UHFFFAOYSA-N 352.515 6.838 30 1 FKEF CC(=O)/C=C/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C=C\CC(=O)O 215857318 BPKMPDBOJSCKEJ-HHZMHUACSA-N 362.469 5.612 30 1 FKEF O=C(/C=C/c1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 299820782 IMZQVBAJVCYRAQ-JLHYYAGUSA-N 372.807 5.012 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C)cc1NC(=O)OC(C)(C)C 587901364 ZSGLDIKFONSDLI-UHFFFAOYSA-N 371.864 5.404 30 1 FKEF C=CC[C@@]1(c2ccc(F)cc2)c2ccsc2CCN1Cc1cccnc1 963010439 NTCKSQGCQHPANH-JOCHJYFZSA-N 364.489 5.160 30 1 FKEF CN(CC#Cc1ccc(-c2ccccc2)cc1)Cc1cccc2cc[nH]c12 1772608863 NRYIOZSUBZKRER-UHFFFAOYSA-N 350.465 5.318 30 1 FKEF CCCCCCCCCCCc1ccc(C=C2C=CC(c3ccc[nH]3)=N2)[nH]1 2356341379 MTEMKDFDIADHNU-UHFFFAOYSA-N 363.549 6.816 30 1 FKEF CCCCCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H](C(=O)OC)C=C[C@@H]4C[C@@H]1[C@H]2[C@@H]43 2356664791 ILBLNWRALCTWGL-YOEAQHCCSA-N 370.577 6.177 30 1 FKEF N#Cc1c(-c2ccccc2)c(NC(=O)c2ccccc2)n2c(Cl)cccc12 40764173 QSIWLKIFEJQQST-UHFFFAOYSA-N 371.827 5.384 30 1 FKEF CC#C[C@H](CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 71332480 XXLJKNIPVFEZHE-QGZVFWFLSA-N 355.393 5.085 30 1 FKEF C=CCNC(=O)Oc1ccc(CC=C)cc1-c1ccc(OC)c(CC=C)c1 84620172 CRJGLAGLZTYSCR-UHFFFAOYSA-N 363.457 5.094 30 1 FKEF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 103521046 GXMAVVSGNJBWCW-GMQRBVGNSA-N 359.853 5.101 30 1 FKEF C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)c(C(=O)OC)c1O 221976971 GSBCCWIIKCFQKI-MSOLQXFVSA-N 372.505 5.633 30 1 FKEF CON=C1[C@H]2C[C@@H](C)C[C@H]1[C@H](c1ccccc1F)N[C@@H]2c1ccccc1F 253992293 VLDQNJVVDNGNJN-GVCQBIPESA-N 370.443 5.015 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)Cc2ccccc2)s1 587920807 NKMRCQAKSNUNDT-UHFFFAOYSA-N 366.869 5.235 30 1 FKEF C[C@]1([C@@H](C#N)c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963090130 IEMHXUHVSCBTGA-WFXMLNOXSA-N 354.856 5.022 30 1 FKEF CCCCCCCC(=O)Oc1cc(C)c2c(c1C(C)C)C=C(C)C(=O)C2=O 1772580010 FKGBKAAUPPSGNW-UHFFFAOYSA-N 370.489 5.553 30 1 FKEF Cc1ccc2c([C@H](c3ccccc3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1 1857596640 OHOITEOELCZCSO-HSZRJFAPSA-N 361.448 5.939 30 1 FKEF CC(C)(C)c1ccc(C(=O)/C(C#N)=N/Nc2cc(Cl)cc(Cl)c2)cc1 1857639004 WXJSFLADWVEVEH-JJIBRWJFSA-N 374.271 5.465 30 1 FKEF CC(C)=CCCC(C)=CCc1c(O)ccc2c3c([nH]c12)C(=O)C=C(C)C3=O 2356389377 SVBNPBFKMYVLCL-UHFFFAOYSA-N 363.457 5.434 30 1 FKEF C=CCCC=CC=C(C)C[C@H](C)C=CC=CC[C@@H]1C[C@H](O)[C@@H](C)[C@@](C)(O)O1 2356541486 UMSAZVWWNPZQBE-VDLPQLTJSA-N 374.565 5.478 30 1 FKEF CCCCCCC=CCCCCCCCCC[C@@]1(O)C=CC(=O)[C@H](O)C1 2356687448 QGMORWLDWJPVQC-DHIUTWEWSA-N 364.570 5.645 30 1 FKEF CCCCCC[C@H](CC(=O)O)C(=O)c1ccc(C#Cc2ccccc2)cc1 13679386 RPSYWEPJQQLLJN-JOCHJYFZSA-N 362.469 5.330 30 1 FKEF in-vivo CC(C)=CCC/C(C)=C/COc1cccc(/C=C/C(=O)c2ccccc2)c1 473096090 YHQNUZPNYAFBJD-AOAKWNDQSA-N 360.497 6.654 30 1 FKEF CCCOc1ccc2cc(C#Cc3cc(Cl)ccc3OC)ccc2c1 587907904 RTZGZMFQYGDBDH-UHFFFAOYSA-N 350.845 5.690 30 1 FKEF C=C(C)[C@]1(C)CC[C@H]2[C@]3(CC)CC[C@H](O)C(CC)(CC)[C@H]3CC[C@]2(CC)C1 2356501249 SJVDEZBDRHOHIN-HEMOTKOVSA-N 374.653 7.533 30 1 FKEF CCCCCCC=CCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 2356567133 IMXHPKHAMOJQHL-UHFFFAOYSA-N 362.510 5.738 30 1 FKEF CCCCCCCCCCC=CCCCCCCCCc1ccc(C=O)[nH]1 2356807693 YAFUGCMNQFAHSA-UHFFFAOYSA-N 373.625 8.187 30 1 FKEF CCCCCCC[n+]1ccc(/C=C/c2c[nH]c3ccccc23)c2ccccc21 72104238 SCCZDQFQNGQMEJ-UHFFFAOYSA-O 369.532 6.749 30 1 FKEF CCN(CC)CCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 299822534 ISLIMYOAPXHFPS-SFQUDFHCSA-N 351.490 5.084 30 1 FKEF CCCCCCC[C@@H](C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)SC 587532043 KOIYQIZODSYQCZ-MOPGFXCFSA-N 374.590 6.381 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2oc(-c3ccccc3)nc2c1 587907976 YMIJPONXLPFLCT-UHFFFAOYSA-N 359.812 5.557 30 1 FKEF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356322213 GLUQJSAOAFURSM-XZBDRXQMSA-N 370.621 7.207 30 1 FKEF C=C1Cc2cc(C(=O)O)cc(O)c2O[C@H]1CCC=C(C)CCC=C(C)C 2356471710 XBOKPWYVDNVFMX-FQEVSTJZSA-N 356.462 5.423 30 1 FKEF COc1ccc(-c2ccc3c(c2)C(=O)/C(=C/c2ccsc2)O3)cc1F 61948126 IETVWGYVQNFWMY-UWVJOHFNSA-N 352.386 5.179 30 3 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C2(C(F)(F)F)CC2)cc1 587913783 HFMPMBHFECLPQW-UHFFFAOYSA-N 350.767 5.342 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2ncn(C3CCCC3)c2cc1F 587917216 CGRURUNSGAPZDW-UHFFFAOYSA-N 368.839 5.352 30 1 FKEF O=C1C(C2=Nc3ccccc3N[C@@H](c3ccccc3)C2)=C(O)c2ccccc21 910832 NODCKXRSGMZTQL-HXUWFJFHSA-N 366.420 5.482 30 1 FKEF biogenic O=C1/C(=C/c2cccc3cnccc23)CC/C1=C\c1cccc2cnccc12 72190025 BRBMTEYZYVZFJD-IWGRKNQJSA-N 362.432 5.613 30 1 FKEF biogenic CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccc(O)cc3)C2=C(O)C1 100634366 MMSAGQUOEJMXLN-IBGZPJMESA-N 371.436 5.170 30 1 FKEF C/C=C/CCCCCCCCCCCCC(=O)C1=C(O)CC[C@H](O)C1=O 238756354 LXXQIOLYXZOVBG-NUALSEBGSA-N 364.526 5.349 30 1 FKEF N#C[C@H](c1ccccc1)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 299864202 QUCBKSLQRTZLAO-HSZRJFAPSA-N 358.444 6.644 30 1 FKEF Fc1cc(C(F)(F)F)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 586900498 AGCGXTJAYRYRCQ-UHFFFAOYSA-N 370.305 5.381 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(/C=C/c2ccc(C=O)cc2)cc1 587905884 LSXUVDLEGGUBMJ-NSCUHMNNSA-N 372.851 5.731 30 1 FKEF C=CCc1cc([C@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)ccc1OC(C)C 962946947 MKEAOZOIMGOGET-NTKDMRAZSA-N 374.528 5.697 30 1 FKEF C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)c2ccccc2)c1 1857656454 IHKQCSMYYUPBMI-UHFFFAOYSA-N 370.448 5.735 30 1 FKEF C=C[C@]1(C)CC2=C(O)C(=C)[C@]34O[C@]3(CCCC4(C)C)[C@@]2(C)[C@H](OC(C)=O)C1 2356341916 ZVOGIZLWXKVJFR-BGJWJPPZSA-N 372.505 5.010 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@H]([C@@H](C)CCC=C(C)C(=O)O)[C@H]3[C@H]1C2 2356670825 DSRGCYPGONKDIL-FNECQJRHSA-N 368.561 6.853 30 1 FKEF C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1cccs1 64549389 GWJRUSLURZSEHA-BUVRLJJBSA-N 358.470 5.118 30 1 FKEF C=C[C@H](OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)c1ccc(OCC)c(OC)c1 169306184 NTCIBNHPEUHQOT-UWVAXJGDSA-N 358.478 5.103 30 1 FKEF CCCCCCCCC/C=C\CCCCCCCCCCCCCC 169622547 UGGNVQPVTMUVGE-VZCXRCSSSA-N 350.675 9.775 30 1 FKEF C=CCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Cl 587459730 DAIPHYFUGPVJKH-FQEVSTJZSA-N 372.848 5.269 30 1 FKEF CCCCCCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811475 GKWNUFZMLWFLPJ-LIRRHRJNSA-N 370.350 6.088 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)CC(CN[C@]3(C)CCC4(CCCC4)C3)=CC(C)=C2C1 2356374771 FRBUDINKNCDAJQ-PZUNEJSGSA-N 367.621 7.108 30 1 FKEF CCCCCCC[C@@H](N)Cc1ccc(OC)c(OCCc2ccccc2)c1 36126882 XLJHMPLBBIWHFJ-JOCHJYFZSA-N 369.549 5.547 30 1 FKEF CCCCCCCCCCN1CCC(C(=O)OCC)(c2ccccc2)CC1 43300262 VHZKDMLZHLNGMQ-UHFFFAOYSA-N 373.581 5.724 30 1 FKEF CCOC(=O)c1ccc(/C=C(C)/C=C/[C@@]23O[C@@]2(C)CCCC3(C)C)cc1 100769641 OHQAJZCZAQLZGZ-GVFFDIQRSA-N 354.490 5.561 30 1 FKEF FC(F)(F)c1cc(Cl)c2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2c1 587089837 HVRQPWSXXGLVCV-QMMMGPOBSA-N 355.040 5.159 30 1 FKEF CCCCCCCCC[C@@H](C)C[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587479232 CNHVBOMTLYHKFM-MOPGFXCFSA-N 374.565 6.845 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2oc(Cc3ccccc3)nc2c1 587907407 LTIZOWCJKQCBGW-UHFFFAOYSA-N 373.839 5.480 30 1 FKEF C[C@H](C=NO)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@]12C 2356304498 LPFFRMGUWCHBIL-QSMDXMANSA-N 358.526 5.492 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)CCC[C@@]32C)[C@@H]1CCC(C)=CCO 2356576329 WJTRDGPQMBTDGG-JNVYHWRHSA-N 374.609 5.891 30 1 FKEF CCCCCCCCCCCCCCCCCCOC(=O)CC(C)C 169622375 PMHFPTSIKAVTHL-UHFFFAOYSA-N 354.619 7.837 30 1 FKEF C=CCC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352466 JKCWMUBQMZGJQI-RBBKRZOGSA-N 352.405 5.005 30 1 FKEF C=C1CC([C@]2(C3CCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587819367 MCHREGRZLPHCLU-BLVKFPJESA-N 364.302 5.084 30 1 FKEF C=C(C)[C@@H]1CC=C([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587823269 OUVWIFUZWVAAER-XEKQOVJPSA-N 364.302 5.466 30 1 FKEF N#C/C(=N\Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc2ccccc2c1 1857760967 QENPVUGBQJDCQM-HKOYGPOVSA-N 368.223 5.321 30 1 FKEF C[C@H]1CCC[C@@H](Nc2c(-c3ccc(Cl)cc3)[nH]c3c(C#N)cnn23)[C@@H]1C 6768759 IPIKHBFNSIOSRV-OGHNNQOOSA-N 367.884 5.091 30 1 FKEF C=C1Oc2cc(OC)c3c(=O)c4cc5ccccc5cc4n(C)c3c2C1(C)C 26475367 FKAOFZDTRGJLMR-UHFFFAOYSA-N 371.436 5.037 30 1 FKEF CCCCCCCCCC[n+]1ccc(/C=C/c2c[nH]c3ccccc23)cc1 72138161 MWFDWMVXDLDNQN-UHFFFAOYSA-O 361.553 6.767 30 1 FKEF CCCCCCCCC[C@H](CCCCCCCC(=O)O)S(=O)(=O)O 100051258 HGQPEPQKVAACHC-QGZVFWFLSA-N 364.548 5.199 30 1 FKEF CC#CCCCCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587957161 RHEIQWDMFXMKBK-UHFFFAOYSA-N 356.819 6.142 30 1 FKEF CCCCCCC=CC[C@H](CCC(C)C)C[C@H](CCCC(=O)O)CNC 2356353537 PYWWKUDSWNSNSL-YADHBBJMSA-N 367.618 6.436 30 1 FKEF CC(C)(C)C1CSC(c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)SC1 29204522 VLWXAWGTMJHAKP-UHFFFAOYSA-N 365.421 6.326 30 1 FKEF CCCCCCCCCCNC(=O)c1ccc2c(c1)Nc1ccccc1C2 169331772 AJBYRGBKOFUFLT-UHFFFAOYSA-N 364.533 6.205 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064658 LHNJOXOPIZWPQM-UHFFFAOYSA-N 364.832 5.784 30 1 FKEF C#CCn1c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587514711 HXRCIFRXIGWACD-QHCPKHFHSA-N 369.464 5.168 30 1 FKEF C[C@@]1(c2ccccc2N=[N+]=[N-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576894 QCXUEIKNPRHUHY-RXVVDRJESA-N 373.368 5.211 30 1 FKEF C[C@@]1(c2ccc(N=[N+]=[N-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576978 QMRKNIIAOQWRST-RXVVDRJESA-N 373.368 5.211 30 1 FKEF C=CCc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587639289 QMPXXBDDXYKKRV-AWEZNQCLSA-N 368.318 6.839 30 1 FKEF CC1=CC(=O)[C@@H]([C@]2(C)c3ccsc3CCN2Cc2ccco2)C(C)(C)C1 962701853 FDEWHTYUZYZVLK-IRLDBZIGSA-N 369.530 5.176 30 1 FKEF CCCCCCC=CCCCCCCCCC[C@]1(O)C=CC(=O)[C@H](O)C1 2356687450 QGMORWLDWJPVQC-PKTZIBPZSA-N 364.570 5.645 30 1 FKEF C=C1C[C@]2(CCC3(CCCC3)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@H]1[C@H]23 2356768555 RLZPIHCBWILNHW-GTKCFWAGSA-N 354.578 6.667 30 1 FKEF CCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1 36294655 RTPUPNNHNNHDQM-AGILITTLSA-N 374.609 6.342 30 1 FKEF in-vivo CC1=C(/C=C/C(=O)/C=C/c2ccccc2C(F)(F)F)C(C)(C)CC[C@@H]1O 40914491 OHJPHKSYXXNUGH-RJXUIYJWSA-N 364.407 5.341 30 1 FKEF C=C(CCC)C1=CC=C(CC2CCCCCCC2)[C@H]2C=C(C3=CC=CC3)C=C12 299832536 JCHIJSKPJOYLNK-HHHXNRCGSA-N 372.596 8.329 30 1 FKEF O=C1CCCCCCCCCCC(=NOCc2ccccc2)CCCO1 472780488 HPZNNLCINGCFBV-UHFFFAOYSA-N 359.510 5.797 30 1 FKEF C=CCc1cccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c12 586881411 WAIQEIUYMDCUKN-UHFFFAOYSA-N 352.437 5.828 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=CCC[C@@H](C)OC(C)=O 2356729070 FCPHMAOZUSIKSS-JVICHNFNSA-N 374.609 7.244 30 1 FKEF N#Cc1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1 95569877 MEYXEALYPQEAPY-UHFFFAOYSA-N 365.480 6.149 30 3 FKEF N#Cc1ccc(Cn2ccnc2)cc1Oc1ccc(-c2ccccc2)cc1 28255615 ZBEYLAQXRONUIF-UHFFFAOYSA-N 351.409 5.262 30 1 FKEF C=C[C@H]1CN(CCCC)CC[C@H]1CC(=C)C(=O)c1ccnc2ccccc12 84672115 RILFTTXGPXUPPU-PMACEKPBSA-N 362.517 5.288 30 1 FKEF COc1ccc([C@H]2CC(O)=C/C(=N/c3ccc(C)c(C)c3)C2)cc1OC 104697547 BZLNUBKHIRHBQP-XKAFOEQXSA-N 351.446 5.413 30 1 FKEF CCCCCCCCCCCCCCCC(=O)O[C@@H](CC)[C@H](C)CCC 169622422 ZQMFEFNLIVRCJO-PKTZIBPZSA-N 368.646 8.226 30 1 FKEF N#Cc1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975633 ONWBRYONBDDZEP-UHFFFAOYSA-N 367.033 5.171 30 1 FKEF Cc1nc2ccccc2c(-c2cccc(C#N)c2)c1[C@@H](OC(C)(C)C)C(=O)O 1857773085 CQMBITYUXVLLHE-OAQYLSRUSA-N 374.440 5.023 30 1 FKEF CC(=O)C1=CC[C@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356515347 KZLRFHAMRYWCOP-RNVZECFMSA-N 369.593 5.475 30 1 FKEF CC=CCCCCCCCCCCCCCCCCCCCCCC 2356527372 FBNVVWQGXNHZAR-UHFFFAOYSA-N 350.675 9.775 30 1 FKEF CC=C1[C@H](OC(C)=O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356553766 KQTRIZLQZKQLOA-OXBGMMKJSA-N 356.506 5.006 30 1 FKEF CCCCCCCCCCCCCCCCNc1csc(C(=O)O)c1 43598950 PBPUKKIGOKLPAK-UHFFFAOYSA-N 367.599 7.340 30 1 FKEF CCCCCCCCCCCCN1C(=O)[C@@H](CC(=O)O)c2ccccc21 96301070 FXBQGXWQPVHXTL-IBGZPJMESA-N 359.510 5.512 30 1 FKEF COc1ccc(/C=C/C(=O)c2ccc(OC)c(CC=C(C)C)c2OC)cc1 299860768 HBCNZHUGDJQULV-NTEUORMPSA-N 366.457 5.117 30 1 FKEF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587952171 MFVLTBJTZUGOBT-PPHDSNJXSA-N 365.399 5.500 30 1 FKEF CCCCCCCCn1ccc2cccc(OCCCN3CCCC3)c21 1857748896 DHCLZNAGVQBGFI-UHFFFAOYSA-N 356.554 5.867 30 1 FKEF C=CCn1c(O)c(/N=N\C(=S)Nc2cccc(OC)c2)c2ccccc21 8680509 NNDLQZUPXRTXJX-DQRAZIAOSA-N 366.446 5.022 30 1 FKEF CC1=C(/C=C/C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)CCC1 40407981 ASEWTOJAIVQSTE-QGHYKFKQSA-N 359.853 5.913 30 1 FKEF CCc1cc2c(N/N=C\c3cccs3)nc(-c3ccccc3)nc2s1 40900833 XQHYUDCZPFHRLO-NDENLUEZSA-N 364.499 5.428 30 1 FKEF Cc1ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 45259644 JVPNZIQCYFGCJX-AWQFTUOYSA-N 362.285 5.871 30 1 FKEF CCC(CC)N/C(=N\O)c1ccc(C)nc1Oc1cc(C)cc(C(C)C)c1 72183629 KPDSYGMIZFKVLU-UHFFFAOYSA-N 369.509 5.528 30 1 FKEF CCCCCCCCCCCCC(O)CCCCCCCCCCCC 95911865 VQPXKBBANDVCGT-UHFFFAOYSA-N 368.690 8.969 30 1 FKEF biogenic,in-vitro C=CCc1cccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c12 586977027 LXLAWLBRNMRQOH-PKNBQFBNSA-N 369.262 5.233 30 1 FKEF Cc1cc(N/C(=N/c2nccs2)Nc2ccccc2)c2ccccc2n1 26153551 PTVBYRWHZDQNAU-UHFFFAOYSA-N 359.458 5.211 30 1 FKEF O=Cc1ccc(/C=C2\Oc3cccc(OCC4CCCCC4)c3C2=O)cc1 49583035 WBYPTZQRQQDVKP-BKUYFWCQSA-N 362.425 5.074 30 1 FKEF CCO/C(O)=C1/C(CC)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 103521110 YCBIFVXFTORZQF-FTHOYRMOSA-N 359.853 5.101 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)c(Br)cc1Cl 587901257 XGWZUMWMAGWBLK-UHFFFAOYSA-N 370.073 5.473 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2cc(Cl)nc(Cl)c2c1 587908207 WGJMGEVNTSKIFE-UHFFFAOYSA-N 362.643 5.603 30 1 FKEF C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)O 1772624058 OMNJRQNCWHCCBZ-ISMPONBVSA-N 362.510 5.138 30 1 FKEF CCCCCCCCN(CCCCCCCC)C(=O)[C@@H](N)CC(C)C 1857538113 NCKZCMJFOHPRKI-NRFANRHFSA-N 354.623 5.909 30 1 FKEF C=C(C)[C@@H]1C[C@]2(C)C(=CC1=O)C=C[C@H](OC(=O)C=CC=C[C@@H](C)CC)[C@H]2C 2356764439 ICTLXILJPBBAPB-HQJRMOTOSA-N 368.517 5.360 30 1 FKEF CCCCCCCCCc1nncn1-c1ccc(OCCCCCC)cc1 103276500 JUUBYAJJLSCMOR-UHFFFAOYSA-N 371.569 6.520 30 1 FKEF CCCCCCCCCCCCCCCC[n+]1cccc2cc(O)ccc21 211604408 DUNTVCGNJUQDBL-UHFFFAOYSA-O 370.601 7.314 30 1 FKEF N#Cc1ccc2c(C(=O)c3sc4cc(F)ccc4c3Cl)coc2c1 587277702 CTNUJBSJDBYHKA-UHFFFAOYSA-N 355.777 5.543 30 1 FKEF COc1ccc(/C=C2/CN(C)/C(=N/c3ccc(C(C)(C)C)cc3)S2)cc1 1857578750 JMQLDEMESVKIIP-YWMIBRPGSA-N 366.530 5.700 30 1 FKEF C=C1CC[C@H]2[C@]3(C)C[C@@H](C=C(C)C)O[C@H]3CC[C@]2(C)[C@@H]1Cc1ccccc1 1857586563 LFRCXHVZBMHBGX-VMKZMFFZSA-N 364.573 6.742 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](CO)OC(=O)CCC 2356487796 MREZZQPHNQZYKS-NRFANRHFSA-N 356.591 6.562 30 1 FKEF C=C[C@@](C)(CCC=C(C)CCC=C(C)C)CC(=O)c1c(C)cccc1O 2356512018 UFLUYCOKQUZAAI-DEOSSOPVSA-N 354.534 6.939 30 1 FKEF O=C1C=C(c2ccc(-c3ccccc3)cc2)C[C@@H](c2ccc(Cl)cc2)C1 34462062 BVNAFSBQEQVGGP-JOCHJYFZSA-N 358.868 6.537 30 3 FKEF COc1cc2ncc(C#N)c(Nc3c(Cl)cccc3Cl)c2cc1OC 13862208 COFRAMCFSKKMGT-UHFFFAOYSA-N 374.227 5.174 30 1 FKEF CC(C)(C)c1cc(/C=C/C(=O)c2ccccc2O)cc(C(C)(C)C)c1O 26644901 JLNALIVQGQPVMF-VAWYXSNFSA-N 352.474 5.589 30 1 FKEF Cc1ccc(/C=C/C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 28477965 NAEOYRBDMJWWIU-LFIBNONCSA-N 356.425 5.535 30 1 FKEF CCCCCCCCCCCCCOCc1ccc(CCC(=O)O)cc1 43394268 DOSIXNGGDBHALV-UHFFFAOYSA-N 362.554 6.531 30 1 FKEF CCCCCCCCn1c2ccc(Cl)cc2c2ccc([C@@H](C)CO)cc21 72111295 XHJTXNMFHJEGJU-KRWDZBQOSA-N 371.952 6.904 30 1 FKEF CC(=O)Nc1cccc(C(=O)/C=C/c2ccc3c(c2)c2ccccc2n3C)c1 84740035 PDNLVKADWRWGEK-ACCUITESSA-N 368.436 5.186 30 1 FKEF CCCCCCCCCCCCCCCc1cc(=O)c2c(O)cccc2o1 85568850 FJCHPIUQIWUZNP-UHFFFAOYSA-N 372.549 7.132 30 1 FKEF biogenic C/C(COc1ccccc1)=N\Nc1nc(-c2ccc(Cl)cc2)cs1 95579922 PLZJJSMEUIORLI-FYJGNVAPSA-N 357.866 5.330 30 1 FKEF CCCCCCCc1cc(-c2ccc(OCC(=O)OCC)cc2)ccc1O 103257596 XJCUJIJWLYFZIB-UHFFFAOYSA-N 370.489 5.514 30 1 FKEF CON=C1[C@H]2CC(C)C[C@H]1[C@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 253863657 IDVQFEASHNUUHC-KKPWCDKKSA-N 370.443 5.015 30 1 FKEF COc1ccc(C(=NNc2cccc3ccccc23)c2ccccc2)cc1 2356420856 PWHBXRDQMODTAL-UHFFFAOYSA-N 352.437 5.713 30 1 FKEF C=C1CCCC(C)(C)[C@H]1CC[C@H]1C=Cc2c(cc(C)c(C(=O)O)c2O)O1 2356621872 STQDERKIAALZBL-WBVHZDCISA-N 356.462 5.336 30 1 FKEF CC1=C2C[C@@]34CC[C@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@@]12C=C[C@H]4[N@]3C[C@]31CCC2 2356772780 ILVMEIAAPCXAMU-BFFQKJRQSA-N 373.584 5.870 30 1 FKEF N#CCCN(C[C@H](O)c1cc2ccccc2c2ccccc12)C1CCCCC1 1555864 FSOTYQPVEVLKKF-VWLOTQADSA-N 372.512 5.575 30 1 FKEF CCCCCCC/C=C/C1=C[C@]2(C)C[C@@]1(C)[C@@H](CCCCCCC)CC2=O 17611565 MJBOCEQQHSSWGQ-WFZFMUSWSA-N 372.637 8.195 30 1 FKEF CC[N+]1(C)[C@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 38320293 KVABVPFNUZZHGO-BBPRHSGNSA-N 359.537 5.294 30 1 FKEF CCCCCCCCn1c2ccccc2c2ccc(OCC(=O)O)cc21 43589913 LVYIDHZDGXAAGB-UHFFFAOYSA-N 353.462 5.618 30 1 FKEF C=CCOc1ccccc1[C@@H](Nc1cccc(F)c1)[C@H]1CCCCC1=O 66251569 HOAZRCMWCFNOPE-AVRDEDQJSA-N 353.437 5.303 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C2 101448887 XIMUYEKYRAKSDP-FKBYEOEOSA-N 368.908 5.253 30 1 FKEF CCCCCC(=O)C1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 103189345 FHBCZRQGRHEHHW-UHFFFAOYSA-N 354.490 5.384 30 1 FKEF C=C(C)[C@@H]1CC[C@@H](C)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586992770 ZKKNWENIDMBWRH-KGLIPLIRSA-N 355.437 5.709 30 1 FKEF CC1=CC(=O)[C@H]([C@]2(C)c3ccsc3CCN2Cc2ccco2)C(C)(C)C1 962701865 FDEWHTYUZYZVLK-UNMCSNQZSA-N 369.530 5.176 30 1 FKEF C=CCCC=CC#CC#CCCCCCCCC[C@@H]1C[C@@H](COC)OC1=O 2356416641 ATRXNBRPMCIVSA-PKTZIBPZSA-N 370.533 5.215 30 1 FKEF CCCCCCCCCCC=C=CCOCc1ccc(CCC(=O)O)cc1 36350354 MCMUMOZMOYPFSK-UHFFFAOYSA-N 372.549 6.463 30 1 FKEF CCCCCCCCc1cn(CC(N)=O)c2cc(-c3ccccc3)ccc12 38153858 ZYQREZUADIXCSL-UHFFFAOYSA-N 362.517 5.697 30 1 FKEF CC#C[C@@H](CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 71332477 XXLJKNIPVFEZHE-KRWDZBQOSA-N 355.393 5.085 30 1 FKEF CCCCCC/C=C/CCCCCCCC(=O)Cc1cc(O)cc(O)c1 85832185 MKUILHVVIUZXIN-BQYQJAHWSA-N 360.538 6.467 30 1 FKEF COc1cc(/C=C/C(=O)/C=C/C2=C(C)CCCC2(C)C)cc(OC)c1OC 95580487 SQHIAVKMOHQTIJ-HULFFUFUSA-N 370.489 5.378 30 1 FKEF COc1ccc(C(=O)O[C@H]2/C=C(\C)CC[C@H]3O[C@]3(C)CCCC2(C)C)cc1 238770313 HQQJSFUWZFJWEU-LZTWEASVSA-N 372.505 5.315 30 1 FKEF CCCCCCC=CCCCCCCCCCCCCC[C@@H](C)C(=O)O 2356805161 VETWDHCFEYOOKH-HSZRJFAPSA-N 366.630 8.305 30 1 FKEF COc1ccc([C@@H]2CC(=O)C(c3ccccc3)=CN2Cc2ccccc2)cc1 199716101 YJBUXSCEUORULK-DEOSSOPVSA-N 369.464 5.252 30 3 FKEF C=CC[C@H]1Oc2c(C)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493649 ODRTXOKHNXCAGK-LJQANCHMSA-N 361.485 6.288 30 1 FKEF C=C1CC[C@H]2/C(C)=C/C[C@H]3[C@@H](C(C)C)[C@H](O)C[C@]3(C)C/C=C(/C)CC[C@@H]12 238788376 XFTVUNNLOZHXIM-DNOGOVFTSA-N 356.594 6.695 30 1 FKEF C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C 255199948 BJDBLZLWPJZWEU-IISIZDQGSA-N 367.577 5.443 30 1 FKEF CCCCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587822074 ZOKRAWQEIOVUTM-SCLBCKFNSA-N 356.323 5.914 30 1 FKEF C/C(=N\Nc1nnc(Cl)c2ccccc12)c1ccc(Cl)cc1Cl 1772611560 FOPDRCFBAMCPLE-AWQFTUOYSA-N 365.651 5.426 30 1 FKEF N#Cc1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 35259926 UCAHPLLNYOIPBO-UHFFFAOYSA-N 358.441 5.589 30 1 FKEF CCCCCCCCCC/C=C/COCc1ccc(CCC(=O)O)cc1 36350353 YIOIWUHXZCTWMX-VAWYXSNFSA-N 360.538 6.307 30 1 FKEF CCCCCCCCCCCC(=O)OCC[C@H](C)[C@@H]1OC[C@H](C)[C@@H]1C 58661241 TWHGDIVTXKNMOZ-XWUOBKMESA-N 354.575 6.148 30 1 FKEF in-vitro CN(/C(=N\O)c1cccnc1Oc1ccc2ccccc2c1)c1ccccc1 72186365 BEEQEJTUCJRDQV-LVWGJNHUSA-N 369.424 5.299 30 1 FKEF CCCCCCCCCCCCCCC[C@H](O)Cc1cc(O)cc(O)c1 85832187 SYXSPGMNIUYYGF-NRFANRHFSA-N 364.570 6.483 30 1 FKEF biogenic CCCCCCCCCCCC[C@H](O)Cc1cc(O)cc(OC(C)=O)c1 230500084 QHWJHYOFDSCFLI-FQEVSTJZSA-N 364.526 5.532 30 1 FKEF CCN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@@H]4CC[C@H]3[C@@H]1C 2356680098 UJZGATBJRUSNIV-NEIXZGFISA-N 369.593 5.523 30 1 FKEF CCCCCCCCO[C@H](c1cccc2ccccc12)P(=O)(O)O 44405149 RNQQAOXGNBOQNJ-IBGZPJMESA-N 350.395 5.393 30 1 FKEF C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCCC1 96928885 MEPQYOLQEIKGBU-SRZZPIQSSA-N 368.333 6.485 30 1 FKEF C[C@H]1CC/C(=C\c2ccc(N(C)C)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 102981312 YMXPRDWDPVCOMZ-SUYBAANKSA-N 374.528 5.285 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@H](O)c2ccccc2C)cc1 587905894 MAKRZAUYVCOSDD-QHCPKHFHSA-N 362.856 5.139 30 1 FKEF N#Cc1ccccc1-c1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)o1 963101565 DLCMDBBWYMMNOJ-FDDCHVKYSA-N 358.416 5.067 30 1 FKEF CCCCCCCCn1ccc2cc(OCCCN3CCCC3)ccc21 1857631418 BREOSWCKURCQKX-UHFFFAOYSA-N 356.554 5.867 30 1 FKEF COc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2Cl)c1C#N 1857634049 SLRMNIHCMRJBAJ-UHFFFAOYSA-N 369.251 5.911 30 1 FKEF CCC[C@H](C)O/N=C(/C)c1cc(O)c2c(c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biogenic,in-vitro N#C[C@@H](c1ccc(C(F)(F)F)c(Cl)n1)c1ccc(Cl)cc1Cl 95873049 NRAYSKSAJKVBGQ-SECBINFHSA-N 365.569 5.716 30 1 FKEF CCCCCCCCCCCCCCCCCCNCC(F)(F)F 138279587 SLORPZXQLWUEST-UHFFFAOYSA-N 351.541 7.400 30 1 FKEF CCCCCCCCCCCCCC#CCOc1ccc(C(=O)OC)cc1 169340458 CASRFNSRFJGBEM-UHFFFAOYSA-N 372.549 6.557 30 1 FKEF O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1cccc(C(F)(F)F)c1 299834298 SBABYZUMYQLIQA-ZDUSSCGKSA-N 364.388 5.714 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c[nH]c2c(C#N)cc(C(F)(F)F)cc12 587913849 KVGVWGYEYBEZKY-UHFFFAOYSA-N 374.749 5.120 30 1 FKEF CCCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21 14128154 SABKBGUARPNLAS-UHFFFAOYSA-N 358.570 6.011 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O 43450660 QSHMDHRLQGJACA-FQEVSTJZSA-N 366.590 5.253 30 1 FKEF C=CCn1c2ccccc2c2c3c(ccc21)CN([C@@H](C)c1ccccc1)CO3 49808559 MOQYFXVMJIZSKT-SFHVURJKSA-N 368.480 5.894 30 1 FKEF C=CCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2ccc(C(C)C)cc21 64559513 GHNUTJIHLLSUQS-UETQYYBDSA-N 369.505 5.269 30 1 FKEF CC#C[C@H](CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2C)cc1 71334095 HDZWIFIVSXGBEY-OAHLLOKOSA-N 362.347 5.388 30 1 FKEF Cc1cc(Oc2ccc(/C(=N/O)NC3CCCCC3)cn2)cc(C(C)C)c1 72183524 LLXYFMMWVNVULO-UHFFFAOYSA-N 367.493 5.364 30 1 FKEF C#C[C@@H](C[C@@H]1O[C@@H]1CCCCCCCC)[C@H](C#C)CCCCCCC(=O)O 169317255 FAIJXZMKXGTJDJ-ACESQOTJSA-N 374.565 5.819 30 1 FKEF N#Cc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587050355 JBPJOLFESWUACL-UHFFFAOYSA-N 354.196 5.668 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1F 587625625 KMTCNYLZGANHSS-UHFFFAOYSA-N 361.260 6.320 30 1 FKEF Cc1ccc(C)c([C@]2(CC#N)NCCc3cccc(-c4ccccc4)c32)c1 962666602 KLVQLYJDEYKOBQ-VWLOTQADSA-N 352.481 5.273 30 1 FKEF CCCCCCCCCc1c(O)cc(CCCCCCCC)oc1=O 1772633242 MLCMXQUYYGHVGZ-UHFFFAOYSA-N 350.543 6.542 30 1 FKEF C[C@@H](CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356383414 LUSBNLHJBDRRCH-SDDJKKLTSA-N 356.506 5.021 30 1 FKEF CCCCCCC=CCCCCCCCC=C1C[C@@](C)(CO)OC1=O 2356418780 WAOINSYXSKSPET-QFIPXVFZSA-N 350.543 5.868 30 1 FKEF CCCCCCCC=CCCCCCCCCC(=O)c1c(O)cccc1O 2356561226 VHMZGZKMDPSEMV-UHFFFAOYSA-N 374.565 7.318 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@@]2(C)C(=CC)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2356687953 HDJAPAUXOZLNPO-TYCWDTCSSA-N 367.577 5.395 30 1 FKEF CCCCCCCCCCCCCCCC(=O)c1nc2ncccc2o1 72106132 OQEBMASMRJFLDH-UHFFFAOYSA-N 358.526 6.887 30 1 FKEF CCCCCCCn1c(C(=O)/C=C/c2ccc(C)cc2)nc2ccccc21 1857649400 NVRTUJUODXKDPW-WUKNDPDISA-N 360.501 6.211 30 1 FKEF C[C@@H]1CCCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1 28901307 ZXKMLLOCABBRCL-LJQANCHMSA-N 354.497 5.795 30 1 FKEF Cc1nc(N[C@@H](C)c2cccc(C#N)c2)cc(-c2ccc3ncsc3c2)n1 142816158 MKGUTEWRKVFGAW-ZDUSSCGKSA-N 371.469 5.107 30 1 FKEF CCCCCCCSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344222 KJSNNKBWTXQJLG-OMUCTCTGSA-N 368.583 5.685 30 1 FKEF C=C[C@@]1(C)CC[C@@]2(O)C3=C1C=CC(C)(C)c1[nH]c4cccc(c4c13)C2(C)C 198396217 YIXMOSKWKGHGSQ-LOSJGSFVSA-N 359.513 5.777 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c2cnccc12 587910388 YBKCYSLRZBVDBU-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF C=CCOc1ccc(OCC=C)n1-c1cc(Cl)cc(Br)c1 587940665 MXYQTHLPPFVMKO-UHFFFAOYSA-N 368.658 5.023 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587964891 DUAPCCNQNXOCNV-SREVYHEPSA-N 364.754 5.440 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)[C@H]3CCC(C)=CCCC(C(=O)O)=CC[C@]3(C)CC[C@H]12 2356628798 FSKFLBQJBSQQKA-KECVZHQQSA-N 370.577 6.933 30 1 FKEF CCCCC[C@H](F)C=C[C@@H]1CCC(=NO)[C@@H]1CCCCCCC(=O)O 2356732630 LQQORSBLZLAVKX-FGTMMUONSA-N 355.494 5.743 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1c(O)c(O)cc2nc(C)oc12 2356793973 HQVKBFVHTCPCPN-KGZJFRPVSA-N 369.505 5.889 30 1 FKEF CCCCCCC=CCCCCCCCC(=O)N[C@@H](CC)C(=O)OC 2356808358 YRYSGQMHUIAXPV-IBGZPJMESA-N 353.547 5.312 30 1 FKEF CCCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCO 38146460 ORVHRBKYJKEGFB-FFTKBTNWSA-N 361.570 5.631 30 1 FKEF N#Cc1ncc2cc(CC3CCCCC3)n(CCC3CCCCC3)c2n1 45506017 RMSJOHUGXMLJBV-UHFFFAOYSA-N 350.510 5.396 30 1 FKEF CCCCCCCCCCCCCCCCCCC[C@H](O)CCCCO 85922129 FOHAOMYPWYIZKI-DEOSSOPVSA-N 370.662 7.552 30 1 FKEF biogenic CCCCCC/C(C)=N/N=c1/[nH]c(-c2ccc(OC)cc2OC)cs1 96923759 OZZBLXBYTQKEBH-KGENOOAVSA-N 361.511 5.007 30 1 FKEF Cc1cc(Br)ccc1-c1nc(-c2ccc(C#N)cc2)cs1 231697814 DFCVXTMPHKMBNA-UHFFFAOYSA-N 355.260 5.420 30 1 FKEF CCCCCCCCC[C@@H](C)[C@H]1c2ccsc2CCN1Cc1ccco1 962712591 VDYDOQNXTKUAFF-XXBNENTESA-N 373.606 7.217 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1cc2ccncc2o1 963205160 NJIQTCSOLZTCDA-QPPBQGQZSA-N 365.436 5.040 30 1 FKEF COC(=O)c1ccc2c(c1)c(C#Cc1ccccc1)c(-c1ccccc1)n2C 13814709 WNNMLKMYQFNOOV-UHFFFAOYSA-N 365.432 5.032 30 3 FKEF aggregator CCc1c(C)sc2c1CCN(Cc1ccc(C#N)cc1)[C@H]2c1ccccc1 21337827 FHZDYXVFJXNJBG-QHCPKHFHSA-N 372.537 5.638 30 1 FKEF CCCCCCCCc1ccc(CNc2ccc(C(=O)OCC)cc2)s1 43598442 OHGJMVQVKCXYSO-UHFFFAOYSA-N 373.562 6.440 30 1 FKEF CCCCCCCCCCCCCCCCCCCc1cccc(O)c1 86046894 CVAJGZCZYKYYFH-UHFFFAOYSA-N 360.626 8.586 30 1 FKEF biogenic CCCCSC1=C2CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O 253684126 JWJVSQSPSJHDRJ-OMJSCAMYSA-N 374.590 5.948 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(N(C)C(=O)OC(C)(C)C)c1 587905441 UZLOYXGYMLHEDB-UHFFFAOYSA-N 371.864 5.120 30 1 FKEF C=CCC=CCC=CCCCCCCCc1c(O)c(O)cc(OC)c1O 2356644926 YCVAMKLKWGHZGC-UHFFFAOYSA-N 360.494 5.774 30 1 FKEF C(/C=N/c1ccccc1)=C(/Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 5596463 KZEUNPDXJANZPR-YOEFKIOZSA-N 356.513 6.601 30 1 FKEF CCCCCCCCCCC#CCOCc1ccc(CCC(=O)O)cc1 14299799 RYRHYCDBTFUGMI-UHFFFAOYSA-N 358.522 5.755 30 1 FKEF in-vitro CCCCCC/C=C\C[C@H](CCCCC)C[C@H](CCCC(=O)O)CNC 85506165 OSLCIRVTDLVRRQ-DXSUYABFSA-N 367.618 6.580 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCCCCNCC1CCN(CCN)CC1 96309554 IFWSSONRXJJPER-UHFFFAOYSA-N 367.666 5.338 30 1 FKEF C=C[C@@](C)(CC[C@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]12C)OC(C)=O 238767739 KJYGPSIJPCJCAC-UMBQZNGKSA-N 362.510 5.138 30 1 FKEF C=CCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992713 YHNBKAPXBZXRAC-UHFFFAOYSA-N 363.416 5.547 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)n(CC(F)(F)F)c3C)c(C#N)c2c1 587642699 UYERCGVDZIKFKV-GFCCVEGCSA-N 373.422 6.201 30 1 FKEF CCCCCCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811472 GKWNUFZMLWFLPJ-AUUYWEPGSA-N 370.350 6.088 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2nccc3ccccc23)cc1 587906940 ZVBFBVAAPSUWLR-UHFFFAOYSA-N 369.851 5.964 30 1 FKEF CC(=O)C=CCCCCCCCCCCCCc1ccc2c(c1)OCO2 2356419830 GLEWZPUZTYZURE-UHFFFAOYSA-N 358.522 6.394 30 1 FKEF CCCCCCCCC=CCCCCCCCC(=O)N[C@@H]1CCOC1=O 2356709683 PYEKBLYUYSJMKS-HXUWFJFHSA-N 365.558 5.456 30 1 FKEF CCCCCCCCCCCCn1c2cc(N)ccc2c2ccc(N)cc21 2382229151 RLBIJEXKHDMFAP-UHFFFAOYSA-N 365.565 6.880 30 1 FKEF C[C@H](/C(O)=N/CCc1ccc(Cl)cc1)[C@@H]1Sc2ccccc2N=C1O 34858450 GETLKDULSFFSOO-SJCJKPOMSA-N 374.893 5.238 30 1 FKEF CCC(CC)N/C(=N\O)c1ccc(Oc2cc(Cl)ccc2Cl)nc1 72184709 RPGSLAODVNXBFI-UHFFFAOYSA-N 368.264 5.095 30 1 FKEF CCCCCCCCCCCCCCOc1ccc2c(C)cc(=O)oc2c1 144053229 NZFJPUIAHOWVNK-UHFFFAOYSA-N 372.549 7.181 30 1 FKEF C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)C2=C[C@@H](OCC)[C@@H]1C3 523041914 VGANWUYGRNLAJS-JDPURIBFSA-N 358.522 5.064 30 1 FKEF biogenic COc1ccc(Cl)cc1C#CCc1cccc(Oc2ccc(F)cc2)c1 587916554 MMFMQYGVQAHHOO-UHFFFAOYSA-N 366.819 5.874 30 1 FKEF O=C1Nc2ccc(Cc3ccccc3)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 1857604663 SVFIKEFHFPMKNW-FQEVSTJZSA-N 371.358 5.011 30 1 FKEF C=C1C=C[C@H]2[C@@](C)(CCC[C@@]2(C)COC(C)=O)[C@@H]1CCC(C)=CC(=O)OC 2356439096 DMYYYSYORLBYSN-SCPDWHHUSA-N 374.521 5.004 30 1 FKEF C=C[C@@H]1CN2CC[C@H]1C[C@@H]2CN(CC1CCCCC1)CC1CCCCC1 2356867615 WTXCZPVJLWKXCE-TZRRMPRUSA-N 358.614 5.345 30 1 FKEF Cc1cc(N/C(=N\[C@H](C)C(C)(C)C)Nc2nccs2)c2ccccc2n1 29569497 APSCGBRBKJTSAJ-CQSZACIVSA-N 367.522 5.314 30 1 FKEF C=CCN1[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100800511 WDOKGNOTOAMJEX-SFTDATJTSA-N 369.455 5.252 30 1 FKEF CCCCCCC[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587809510 AKYOXPRVIQDICP-AUUYWEPGSA-N 370.350 6.088 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(C)(C)NC2CCC2)cc1 587905747 HBPUJNPYEGEYNJ-UHFFFAOYSA-N 353.893 5.126 30 1 FKEF C#C[C@@H](O)C=CCCCCCCCCCCCCCCC=C[C@@H](O)C#C 2356336263 KJWNXSBXDZJMLB-PSWAGMNNSA-N 358.566 5.548 30 1 FKEF CCOC(=O)c1cccc(C2=CC(=O)C[C@H](c3ccc(Cl)cc3)C2)c1 36388343 KSQJIROPPKYCKF-QGZVFWFLSA-N 354.833 5.047 30 3 FKEF COc1ccc(NC(=O)O/N=C(\C)c2cccc(-c3ccccc3)c2)cc1 58506466 DGBPTKDQIVTVSX-LFVJCYFKSA-N 360.413 5.335 30 1 FKEF CCCCCCCC/C=C\CCCCCCC1=C(O)[C@](C)(OC)OC1=O 198842739 OIEZJKMVJYGTMT-SSSWZJSRSA-N 366.542 6.365 30 1 FKEF CC1(C)CC(=O)C2=C(C1)Oc1c(O)cccc1[C@H]2c1c[nH]c2ccccc12 299835170 LWZUOUSBLXMHGO-FQEVSTJZSA-N 359.425 5.041 30 1 FKEF C[C@@H]1CC[C@H](C(C)(C)S)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587531285 HIUHGVJHEXWFEL-WTGRHJARSA-N 358.547 5.414 30 1 FKEF CC#CCCCCCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587957365 YLMCADYANPQJPR-UHFFFAOYSA-N 361.489 5.844 30 1 FKEF CC(C)(C)c1ccc([C@]2(CC#N)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100736 JBIKMHPEGCUCRV-HYBUGGRVSA-N 362.492 5.301 30 1 FKEF CCCCCCCCCCN1C=CC(=CC=C2C(C)=Nc3ccccc32)C=C1 1857620915 BRTZIVCNKZVPIA-UHFFFAOYSA-N 374.572 7.586 30 1 FKEF CCCCCCCCC=CCCCCC[C@@H]1Cc2cccc(O)c2C(=O)O1 2356426692 GCSUJEGOLAPNMD-OAQYLSRUSA-N 372.549 6.731 30 1 FKEF Cc1[nH]c2ccccc2c1CC/C(=N\Nc1ccccc1)c1ccccc1 5883147 FDTIXVAECFPTGE-SLEBQGDGSA-N 353.469 5.925 30 1 FKEF N#Cc1ncc2cc(Cc3ccc(Cl)cc3)n(CCC3CCCC3)c2n1 40423262 MTVNDTARQDTHDY-UHFFFAOYSA-N 364.880 5.127 30 1 FKEF CCc1[nH]c2c(c1CC)/C(=N/OC(=O)Nc1ccc(Cl)cc1)CCC2 40576363 GWJOQHDTVRFXPI-HAVVHWLPSA-N 359.857 5.082 30 1 FKEF CCCCCCCc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991954 RYUCDLMVDBRQQV-UHFFFAOYSA-N 359.469 5.973 30 1 FKEF C=CCc1cccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587242264 QXOBEZCQPDUCNY-UHFFFAOYSA-N 365.433 5.011 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2cccc3ccc4cccc1c4c32 587911847 UOPWPGNIXCPFOQ-UHFFFAOYSA-N 366.847 6.646 30 1 FKEF C=CCC(C)(C)c1nc2cc(OCCCCC)c(Br)cc2[nH]1 587954212 ITSZYFQPKNAZMO-UHFFFAOYSA-N 365.315 5.748 30 1 FKEF C=CCC[C@H](C)C(=O)[C@H](C)C[C@H](C)NC(=O)CCCC(=CCl)CCC 2356594944 MTSIKQYOKFAJKC-KSZLIROESA-N 369.977 5.782 30 1 FKEF O=C(/C=C(\Nc1cccc(OC(F)F)c1)c1ccccc1)c1ccccc1 199266020 SKAJDNLEUSEXOG-HKWRFOASSA-N 365.379 5.624 30 3 FKEF C/C=C(/CC)C[C@H](CC)/C(O)=N/C(N)=N\C(=O)[C@H](CC)C/C(=C/C)CC 14823485 ZSZIXCDEUHZLAH-AHPAXSOMSA-N 363.546 5.329 30 1 FKEF CCCCCCCCCCCC1=N/C(=C\c2ccc(-c3ccc[nH]3)[nH]2)C=C1 43284716 XRPOTEJMUIDOOW-VZCXRCSSSA-N 363.549 7.282 30 1 FKEF CCCCCCCCCCCCCCCCc1ccc(CC(=O)OC)o1 44431415 RSEGFEUGOMWIRF-UHFFFAOYSA-N 364.570 7.019 30 1 FKEF biogenic Cc1c(Nc2c(C#N)cncc2CCc2ccccc2)ccc2[nH]ccc12 45303074 SBTUVVZTMJEJMZ-UHFFFAOYSA-N 352.441 5.272 30 1 FKEF CCC1=C(O)c2c(oc(-c3cc(C)cc(C)c3)cc2=O)C(CC)(CC)C1=O 101892260 JTBTYYGYYFWBAA-UHFFFAOYSA-N 366.457 5.243 30 1 FKEF CO/N=C1\[C@@H]2CCC[C@]1(C)[C@@H](c1ccc(C)cc1)N[C@@H]2c1ccc(C)cc1 169336604 SYTQKDUUDPBAEW-LRSWOOJSSA-N 362.517 5.498 30 1 FKEF COc1ccc(OC)c(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)c1 203349737 YWLZRVMZAIGLQV-UKTHLTGXSA-N 362.400 5.406 30 1 FKEF N#Cc1cccc(-c2c(-c3ccc(Cl)nc3)[nH]c3cc([N+](=O)[O-])ccc23)c1 587645292 OLBPNAKYWMOETR-UHFFFAOYSA-N 374.787 5.330 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccsc1C(=O)C1CCCCC1 587918699 FVJYCVUBBWNHLK-UHFFFAOYSA-N 358.890 5.573 30 1 FKEF Fc1ccc(-c2[nH]c3ccccc3c2/C=N/Nc2cccc(Cl)c2)cc1 653692059 SMYSEEAXBXDOHR-ZMOGYAJESA-N 363.823 6.073 30 1 FKEF Nc1cccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1 1857587580 LTTABEWHVJPRBP-JOCHJYFZSA-N 356.450 5.135 30 1 FKEF CC[C@@H](C)/N=C(\O)c1ccc(Sc2ccc(F)cc2)c(/N=C(\C)O)c1 3048848 HUCDHECZQUQAAA-GFCCVEGCSA-N 360.454 5.688 30 1 FKEF CCCCCC[C@@H](CC(=O)O)C(=O)c1ccc(C#Cc2ccccc2)cc1 13679384 RPSYWEPJQQLLJN-QFIPXVFZSA-N 362.469 5.330 30 1 FKEF in-vivo CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CCC)[C@@H]1C2 14255113 QSCQOXMIFSONAX-GGAORHGYSA-N 372.553 5.044 30 1 FKEF Cc1ccc2c(c1)CC/C2=N\Nc1nc(-c2ccc(Cl)cc2)cs1 84670993 TZEVMEXEHMOTFG-OQKWZONESA-N 353.878 5.534 30 1 FKEF CC1(C)CCC[C@]2(C)[C@H]3CC[C@H]4C=C(CC(=O)O)C(=O)C[C@@H]4[C@]3(C)CC[C@H]12 85772638 PRNTZJVEEUQNTM-ZYDLNPGJSA-N 372.549 5.635 30 1 FKEF CCCc1cc(-c2ccc(Oc3ccc(C#N)cc3O)c(Cl)c2)no1 96271643 AGPRFNDYMUEREM-UHFFFAOYSA-N 354.793 5.317 30 1 FKEF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2CC[C@](C)(O)C[C@@H]2[C@H]2O[C@]12C 2356395646 VKXPJJBZNMZKHN-FCDSCVPGSA-N 372.549 5.005 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC[C@H](C(=O)O)CCC=C(C)CCC[C@@H](C)CC1 2356407585 FPYLTCXRQURGOI-GMKZXUHWSA-N 374.609 7.713 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@@H]1OC(=O)C3=C(C)OC(C)(C)[C@@H]4CC[C@]12[C@H]34 2356460315 QATHFSXCKTWEAB-NFHRIRBSSA-N 368.517 5.330 30 1 FKEF C[C@@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356528848 KLZYXWJPRWEJSX-AOEZPDJKSA-N 370.533 5.411 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3cccc(C(C)C)c3)C2)cc1OC 36388328 UDXMBVGKYCWFJE-HXUWFJFHSA-N 350.458 5.357 30 3 FKEF CCCCCCCCCCNc1c2c(nc3ccc(OC)cc13)CCCC2 64548731 DEAXLPOVMRAFCM-UHFFFAOYSA-N 368.565 6.675 30 1 FKEF Cc1ccc(CO/N=C2\CCCCCCCCCCC(=O)NCC2)cc1 103167651 ZKUDIZZCYVWUDC-DARPEHSRSA-N 358.526 5.289 30 1 FKEF CC/C=C\CCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@@H](CCCCCCC)NC(=[N+]23)N1 238789439 RTIHUTXMEHQCPS-CQKXHVGVSA-O 360.610 5.107 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C#N)cc3)c2c1 587640173 FLKRBQHQLPADLB-GFCCVEGCSA-N 370.374 5.803 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(NC(=O)OC(C)(C)C)c1 587905099 KVJSIPMCSVHCOA-UHFFFAOYSA-N 357.837 5.095 30 1 FKEF CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)noc2C)ccc1C 1857601246 NUYPRXRORWCOBR-UHFFFAOYSA-N 365.864 5.950 30 1 FKEF CCCCCCCCCCC=CCCCCCCCCCCCCC 2356375016 MOUCJPJOGTYNTQ-UHFFFAOYSA-N 350.675 9.775 30 1 FKEF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@]3(C)CCCC2(C)C)cc1 2356389803 HQQJSFUWZFJWEU-MIZPHKNDSA-N 372.505 5.315 30 1 FKEF C=C[C@](C)(CC(=O)C=C(C)CCC=C(C)C)CC(=O)c1c(C)cccc1O 2356614374 RFISIENEXXTNTA-XMMPIXPASA-N 368.517 6.118 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)O 66058786 UEWVQOCQZFYTBW-FQEVSTJZSA-N 369.590 6.083 30 1 FKEF N#C[C@H](c1ccc(C(F)(F)F)c(Cl)n1)c1ccc(Cl)cc1Cl 95873050 NRAYSKSAJKVBGQ-VIFPVBQESA-N 365.569 5.716 30 1 FKEF CCCCCCCCCC[C@H]1CC[P@@](=O)(OC)OC(C)=C1C(=O)OC 96908200 NHTZROPHLCBBHP-SSOJOUAXSA-N 374.458 5.840 30 1 FKEF C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(c4cccnc4)=CC[C@@H]23)[C@@]2(C)C=C/C(=N\O)C=C12 141918540 IYNDVOFUCIFBNJ-DEZUECRESA-N 374.528 5.890 30 1 FKEF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H](C)CCCC(C)C)[C@H]3C[C@@H]12 169299433 RINUGOBJPTXRGQ-ZJJXDXEASA-N 361.570 5.105 30 1 FKEF C=CCC[C@@H](C)C(=O)[C@H](C)C[C@@H](C)NC(=O)CCC/C(=C/Cl)CCC 169325397 MTSIKQYOKFAJKC-XGYSUURHSA-N 369.977 5.782 30 1 FKEF N#Cc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1C(F)(F)F 587084880 JFZWWWAIZYIEDP-UHFFFAOYSA-N 372.737 5.322 30 1 FKEF C=CCc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644294 SXNAYYADJKKQNI-UHFFFAOYSA-N 357.207 5.234 30 1 FKEF C=C1CC[C@]2(C)C(C)=C[C@H](OC(C)=O)C[C@@H]2[C@]1(C)CCC(C)=CC(=O)O 2356673317 GEQAFUXTJYVKAK-YVNJGZBMSA-N 360.494 5.058 30 1 FKEF O=C(C=Cc1ccc2oc(-c3ccc(O)cc3)cc2c1)c1cc(O)cc(O)c1 2356733469 XPLCPHYZASXFKS-UHFFFAOYSA-N 372.376 5.113 30 1 FKEF Cc1cc(/N=C(/Nc2nccs2)NC2(C)CCCC2)c2ccccc2n1 1842116 UXRGHLPVZSDLBT-UHFFFAOYSA-N 365.506 5.022 30 1 FKEF C=C[C@H](OC(=O)OC(C)(C)C)c1ccc(OC(=O)OC(C)(C)C)cc1 49110147 OPUAWHZUQOOUEU-HNNXBMFYSA-N 350.411 5.179 30 1 FKEF COc1c(N(C)C)cc(/C(CSc2ccccc2)=N/O)cc1C(C)(C)C 95572112 VIIFAELTHVTBCE-RELWKKBWSA-N 372.534 5.029 30 1 FKEF Cc1cc(=NN=Cc2ccccc2Cl)c2cc(C(F)(F)F)ccc2[nH]1 299810935 XDTJXECGVDCQFC-UHFFFAOYSA-N 363.770 5.083 30 1 FKEF O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1c(Cl)cccc1Cl 299825268 FDNYFDLJKYCUED-LBPRGKRZSA-N 365.281 6.002 30 1 FKEF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c1 587050280 HLDKDMRVZHRJFY-UHFFFAOYSA-N 373.243 5.003 30 1 FKEF C#C[C@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587367461 RFEFQGVZNANDBG-HNNXBMFYSA-N 353.421 5.710 30 1 FKEF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3C#N)o1)CC2=O 587466651 AUOXWHRULQHHHE-JOCHJYFZSA-N 373.408 5.183 30 1 FKEF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(C#N)cc3)[nH]c12 587624501 NUXAEEHLMXSFNA-UHFFFAOYSA-N 362.738 5.413 30 1 FKEF C=CCCC=CC#CC#CCCCCCCCC[C@@H]1C[C@H](COC)OC1=O 2356416639 ATRXNBRPMCIVSA-DHIUTWEWSA-N 370.533 5.215 30 1 FKEF C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)OC1 38424042 WHYDZULPKRRAKT-HFVPNPRRSA-N 370.577 7.085 30 1 FKEF CCCCCCCCCCCCCC[C@H]1C(=O)O[C@H](C)[C@@H]1OC(C)=O 137940514 GOOFLQFKCQQJMT-RLLQIKCJSA-N 354.531 5.571 30 1 FKEF CCCCCCCCCCCCCCCCCC[C@@H](C)CCCCCC 138474812 YKKOYNFAGCZEMQ-SANMLTNESA-N 366.718 10.245 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)C/C=C(/C)CC/C=C(\CO)CC[C@@H]3[C@@H]12 238775060 DCNGLOIOZYSSRI-SAILUHJUSA-N 356.594 6.840 30 1 FKEF O=C1C[C@H](c2cccc(Cl)c2)CC(O)=C1Sc1ccccc1Cl 299830022 USTRLPGVEOTAJW-GFCCVEGCSA-N 365.281 6.002 30 1 FKEF CCCCCCCCc1ncncc1C#Cc1cc(Cl)ccc1OC 587902911 DVQDDMKJZISLOT-UHFFFAOYSA-N 356.897 5.441 30 1 FKEF C#C[C@]1(O)CC[C@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C 66322903 PWZUUYSISTUNDW-RYWAYVEBSA-N 364.529 5.228 30 3 FKEF in-man C=C1CCC[C@@H]2[C@@](C)(Cc3cc(C(=O)OC)ccc3O)[C@H](C)CC[C@@]12C 13452239 WNSIKCDGFAFGBP-AAEGSUEWSA-N 356.506 5.520 30 1 FKEF CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CCCC=O)oc1=O 28455857 CNYCFOXQYXUWBY-YOQGBZPQSA-N 374.477 5.084 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1ccc(Cl)c(Cl)c1 299835417 VRHWGWHDLNLPLL-GFCCVEGCSA-N 365.281 6.002 30 1 FKEF CCCCCCCCC=CCCCCCCC[C@@]1(O)CC(=O)C=C[C@@H]1O 2356540487 ZPYABTHUTGWONW-XZOQPEGZSA-N 364.570 5.645 30 1 FKEF CCCCCCCCC=CCCCCCCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O 2356625611 SNHBFKBOZVBFIT-FSSWDIPSSA-N 366.586 6.336 30 1 FKEF CC(C)C[C@@]1(c2ccccc2)CC(=O)C(SCc2ccccc2)=C(O)O1 13766414 UQLGEPNZUQQLPP-QFIPXVFZSA-N 368.498 5.578 30 1 FKEF CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1Cl 36349534 MSWJVWGPYIIKFF-UHFFFAOYSA-N 351.962 7.144 30 1 FKEF C=C(C)C/N=C(\SC)N(Cc1ccccc1)Cc1ccc(C(C)C)cc1 82052456 FQWLPZKPJUHOEC-VHXPQNKSSA-N 366.574 6.107 30 1 FKEF COc1ccc(-c2cc3ccccc3nc2/C=C/C(=O)c2ccco2)cc1 95593348 KUUUZHVMEIUHQF-OUKQBFOZSA-N 355.393 5.400 30 1 FKEF CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)cc1 103993976 GPUSAZCZTULODA-HBFAPYFHSA-N 367.489 5.401 30 1 FKEF O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1nc2ccc(Cl)cc2[nH]1 299823842 BENIKIXHKBSOPC-LBPRGKRZSA-N 370.861 5.225 30 1 FKEF CCCCCCCCCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521811 GIGLQHKRMOTHJP-XMMPIXPASA-N 356.550 6.820 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(Cl)cccc1Br 587901482 FDQYHRKCKDYZJH-UHFFFAOYSA-N 356.046 5.164 30 1 FKEF C=CCc1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949458 HFYZJHLRFLIDBZ-WUKNDPDISA-N 352.437 6.254 30 1 FKEF CCCC/C=C\CCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O 28537332 KQWFKXIAVOXCLU-SREVYHEPSA-N 362.510 6.040 30 1 FKEF C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(C)cc1 64513570 ZHVNOGFDUXXTAY-OVVQPSECSA-N 366.468 5.365 30 1 FKEF CCCCCCCCCCCCn1cc(CC[N+](C)(C)C)c2ccccc21 84708205 HUIJXQZKUIMTDR-UHFFFAOYSA-N 371.633 6.811 30 1 FKEF CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC 86001431 OSWNBDSFXXEWTJ-UHFFFAOYSA-N 352.603 7.576 30 1 FKEF endogenous,in-man N#Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1 96915573 DEWJUEMQRGVBKN-UHFFFAOYSA-N 363.342 5.583 30 1 FKEF CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC 98208175 NQMHEQXQHWVUHF-LJQANCHMSA-N 364.507 5.840 30 1 FKEF in-vitro C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@@]34C=CCO4)[C@H]12 261184722 XAEBVWFWHJQFCD-YCZZPANZSA-N 352.518 5.256 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071826 SKZFPRIVAFVUKM-UHFFFAOYSA-N 374.871 6.191 30 1 FKEF Cc1[nH]c2ccccc2c1[C@@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3 587521489 CHHBRLYNQDXHSH-XMMPIXPASA-N 370.452 5.130 30 1 FKEF N#Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cc1 587628889 TUSLROAQHPRMLY-UHFFFAOYSA-N 366.701 5.082 30 1 FKEF CCC(CC)(CCC#N)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587734622 RVJDKMPCKXCDAC-SJKOYZFVSA-N 367.306 5.274 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1 587906576 LWPHNBCDXZIVJU-UHFFFAOYSA-N 374.911 6.713 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(F)c1Br 587915298 NXSPUUMYBCLOOJ-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Br)c(F)cc1Cl 587915992 ZMBGHLYWIUONQV-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF C[C@H]1OC(=O)c2ccccc2[C@@]1(Cl)c1ccc(C#Cc2ccccc2)cc1 1857575934 RVOYQALCIFEEFN-OSPHWJPCSA-N 372.851 5.128 30 1 FKEF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2CC[C@](C)(O)C[C@@H]2[C@@H]2O[C@]21C 2356395645 VKXPJJBZNMZKHN-CZOSDVAZSA-N 372.549 5.005 30 1 FKEF CCCCCCCCCCCCCc1nnc(S)n1-c1ccccc1 14286485 GILIMJSCUOWWRU-UHFFFAOYSA-N 359.583 6.410 30 1 FKEF CCCCCCCCC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1 43598081 GWAHJGWVFSDEIV-ZRBLBEILSA-N 359.554 5.538 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2cccc3ccccc23)c1 587904803 XXWQGKFVHMSQCQ-UHFFFAOYSA-N 368.863 6.569 30 1 FKEF N#Cc1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 653779734 VLDAJVWJJPPMAY-NRFANRHFSA-N 351.409 5.014 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H]([C@H](C)CCC=C(C)C(=O)O)CC[C@@]3(C)C[C@H]12 2356599541 DIQGDBNYBUYWHQ-DGIBOFFCSA-N 370.577 6.789 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)CC=C(C)CCC=C(C(=O)O)CC[C@H]3[C@@H]12 2356640487 DTOMDHDCRRDBTA-KHYNBEDJSA-N 370.577 6.933 30 1 FKEF CCCC[C@@]12CCC(=O)C(c3cccs3)=C1c1ccc3n[nH]nc3c1C2 34633854 TZACYAAFEOUQNL-NRFANRHFSA-N 363.486 5.026 30 1 FKEF CCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC 36349474 ZOJVMHFJCLWBEW-UHFFFAOYSA-N 365.514 5.428 30 1 FKEF CCCCCC#CC[n+]1ccn(CCCCCCCCCCCC)c1C 66074365 WYPDHEBUOKPGFJ-UHFFFAOYSA-N 359.622 6.589 30 1 FKEF C=CCN1[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100800508 WDOKGNOTOAMJEX-NHCUHLMSSA-N 369.455 5.252 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(C(=O)n2ccnc2)o1 138342976 XQSYOPBUGAYKPQ-UHFFFAOYSA-N 374.525 6.245 30 1 FKEF CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O 169717087 BKBKOAWPAIKUCJ-UHFFFAOYSA-N 368.514 5.847 30 1 FKEF CCCCCCCCCCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525856 SGAFESUUFRMETQ-RUZDIDTESA-N 370.577 7.210 30 1 FKEF N#Cc1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783720 FSANATFRDFMFHH-KAMYIIQDSA-N 351.409 5.184 30 1 FKEF CC(C)COc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1C#N 587920900 QJWRFLBGEAGRPC-UHFFFAOYSA-N 368.889 6.037 30 1 FKEF CCc1ccc([C@@]2(C)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)o1 963190395 NMBQCDAZHKRBPS-LADGPHEKSA-N 356.469 5.228 30 1 FKEF CCCCCCCC(=O)Oc1cc(C)c2c(c1C)[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC2 1857752233 KTFAUOSCRAFIMI-LZFQIVBZSA-N 372.505 5.366 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC[C@H](C)CCCC(C)=CCC[C@H](C(=O)O)CC1 2356407586 FPYLTCXRQURGOI-JRFVFWCSSA-N 374.609 7.713 30 1 FKEF CCCCCCCC(=O)CCCCCCC(=O)NCCc1ccccc1 44387714 XZPGNHMQGOJCBR-UHFFFAOYSA-N 359.554 5.616 30 1 FKEF biogenic CCCCCCCCCCCCN1C(=O)/C(=C\C(=O)O)c2ccccc21 49878720 KNQCBYWMBIZBBA-ZPHPHTNESA-N 357.494 5.422 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@H]5CC[C@@H](CC3)[C@@]5(C)N4)=CC(C)=C2C1 85550149 FNBQIAPRYNPZHU-PIYPCEHGSA-N 363.589 6.492 30 1 FKEF biogenic,in-vitro Fc1ccc(CO/N=C2/C(c3c[nH]c4ccccc34)=Nc3ccccc32)cc1 299863132 OMCLOGONOTZQQU-SLEBQGDGSA-N 369.399 5.362 30 1 FKEF CC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccccc1Cl 473247935 JUDOXZAMFBUSFU-GOSISDBHSA-N 354.862 5.226 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)c(Br)cc1Cl 587914890 FWQDJFRNUYLYBP-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)ccc1Cl 587915085 RWSRUQHZVPZJIY-UHFFFAOYSA-N 361.146 5.300 30 1 FKEF CCC=CCC=CCC=CCC=CCC=CC[C@@H]1O[C@H]1CCC(=O)OC 2356437527 WBYKJDXNMZXEMM-VXKWHMMOSA-N 358.522 5.849 30 1 FKEF C=C(C(=O)O)[C@H](CCCCCCC=CCCCCCCCC)C(=O)O 2356572449 BQGIGMHUCMNPDK-IBGZPJMESA-N 352.515 5.975 30 1 FKEF O=C(/N=C1\CCCN1Cc1ccccc1)Nc1c(Cl)cccc1Cl 169315591 XHZPGSIIPCPLQT-LTGZKZEYSA-N 362.260 5.220 30 1 FKEF CC(C)=CCC[C@@H](C)/C=C/C=C(\C)C(=O)CC[C@@H]1CC[N@+]2(C)CCCC[C@H]12 254081210 XVHGEQZLPUATNX-KGCMEJDKSA-N 372.617 6.240 30 1 FKEF CC[C@@]1(c2ccsc2C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963183821 BWVYNEQRJVDIBB-DNQXCXABSA-N 372.537 5.833 30 1 FKEF CC#CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34577427 HHGLFNRDPUBPSI-GBWULGRTSA-N 368.561 5.155 30 1 FKEF biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CCCCC34CCCC4)s2)s1 85592364 AWJJMOVEDQSGHL-KRWDZBQOSA-N 368.567 6.781 30 1 FKEF biogenic,in-vitro CC[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 101505056 KVABVPFNUZZHGO-QGEKHRGOSA-N 359.537 5.294 30 1 FKEF N#Cc1ccccc1SCc1nc2ccc(Sc3ccccc3)cc2[nH]1 586965430 WMEOLBNNCVKCIJ-UHFFFAOYSA-N 373.506 5.878 30 1 FKEF Cc1ccc(-c2ccc(-c3nc(-c4ccc(C#N)cc4)cs3)cc2)cc1 587921612 KLSXOCKPILRMPW-UHFFFAOYSA-N 352.462 6.324 30 1 FKEF CCCCCCn1c(C(=O)/C=C/c2ccc(F)cc2)nc2ccccc21 1857774423 FLPLJZLLXNMJNI-NTCAYCPXSA-N 350.437 5.652 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3ccccc3Oc3ccccc3)C2)cc1 36389367 NIBSOHKAAAYNCF-LJQANCHMSA-N 370.448 6.018 30 3 FKEF CCCCCCCCCCCCCC(=O)Nc1ccc([N+](C)(C)C)cc1 95595925 LRRDJQPCDWUBHZ-UHFFFAOYSA-O 361.594 6.523 30 1 FKEF C[C@H](CC1CCOCC1)[C@H]1c2ccccc2CCN1[C@H](C#N)c1ccccc1 963187754 JHNUBSVHBIIART-WVQWTBLQSA-N 374.528 5.303 30 1 FKEF Cc1nc(O)c(C(=O)C=Cc2ccc(Cl)cc2Cl)c2c1CCCC2 1857622489 RYOISYHCCAJWGV-UHFFFAOYSA-N 362.256 5.177 30 1 FKEF C=C1CCCC(C)(C)[C@@H]1CC[C@@H]1C=Cc2c(cc(C)c(C(=O)O)c2O)O1 2356621870 STQDERKIAALZBL-DOTOQJQBSA-N 356.462 5.336 30 1 FKEF CC/C(=N/Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccco2)oc1O 13555373 APLGJQHPGDVEFW-MOSHPQCFSA-N 365.216 5.346 30 1 FKEF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)C1=C(C[C@@H](C)CC1=O)N2 43019120 SAUARPVLHFQDKM-XUSGNXJCSA-N 370.855 5.619 30 1 FKEF CC[C@@]1(c2ccsc2C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963183820 BWVYNEQRJVDIBB-BJKOFHAPSA-N 372.537 5.833 30 1 FKEF C=CC[C@H](CCC(C)=CC=CCCC=C[C@@H]1CSC([C@@H]2C[C@H]2C)=N1)OC 2356504963 LUEYTMPPCOCKBX-GXRSIYKFSA-N 373.606 6.367 30 1 FKEF CC(=O)O[C@@H]1c2oc(cc2C(C)C)[C@H](C)CCC=C(C)CC[C@H]2O[C@]12C 2356573416 MVULDMBCESYPJZ-PYYHNFOQSA-N 360.494 5.789 30 1 FKEF CCCCCCC[C@H](CC=CCCC(=O)NCCc1ccccc1)OC 2356733438 VPNLGLXHRKAYHD-JOCHJYFZSA-N 359.554 5.447 30 1 FKEF CCCCCCCCCCCC(=O)Nc1cn(C)nc1-c1ccccn1 49777941 JWPIPWPPAUEWLV-UHFFFAOYSA-N 356.514 5.342 30 1 FKEF C=CCc1cc(Br)c(O)c(-c2ccc(OC)c(CC=C)c2)c1 84618485 YTTQAFLXAUBCGX-UHFFFAOYSA-N 359.263 5.287 30 1 FKEF N#Cc1c(N2CCCCC2)cc(-c2ccc(Cl)cc2)nc1-c1ccccc1 96932223 MKOXPFXGJVHBRH-UHFFFAOYSA-N 373.887 5.931 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)C/C=C(/C)CC/C=C(\C(=O)O)CC[C@@H]3[C@@H]12 238744521 DTOMDHDCRRDBTA-IYZQNXINSA-N 370.577 6.933 30 1 FKEF N#Cc1c(-c2ccc(Br)cc2F)[nH]c2cc(Cl)c(F)cc12 587629428 PUMIBCITXWXJRR-UHFFFAOYSA-N 367.580 5.401 30 1 FKEF CCCCCC/C=C\[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813145 BHRYTPJTMXDTMR-ZTPYXFOFSA-N 368.334 5.864 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(Oc2ccc(F)cc2)cc1 587916592 NYHVGKDIBQJAJY-UHFFFAOYSA-N 366.819 5.874 30 1 FKEF CCC[C@@H](C)O/N=C(\C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 1857766810 JVMFOJRWOSFHAK-DVNZRQBHSA-N 371.521 5.932 30 1 FKEF CCCCCCCCn1cnc2c3c(c4ccccc4c21)OC(C)(C)CC3 1857772539 UMPMNIJNVBZMOD-UHFFFAOYSA-N 364.533 6.654 30 1 FKEF COc1ccc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1 26721398 JVSMBUXACUSJML-UHFFFAOYSA-N 367.408 5.651 30 1 FKEF CC(C)(C)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1 28827307 ZQLAFOQFBYMWKD-UHFFFAOYSA-N 369.831 5.248 30 1 FKEF Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1 63298386 ROPVGAMDOWWUTK-UHFFFAOYSA-N 361.253 5.641 30 1 FKEF COc1ccc(-c2cc3ccccc3nc2/C=C/C(=O)c2ccc[nH]2)cc1 95597921 JGDDEIOSZODMED-OUKQBFOZSA-N 354.409 5.135 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@@H](c1ccccc1)c1ccccc1Cl)C2 102064159 XHZOJUVBFLNUDN-WFXMLNOXSA-N 354.881 5.059 30 1 FKEF C=C[C@H](C)CC[C@H](CC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191698 BZFIQKGXWZTFQC-OJJQZRKESA-N 350.675 8.910 30 1 FKEF N#Cc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1F 587142988 JHUCILBPSKOTAW-UHFFFAOYSA-N 370.412 5.517 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC([C@@]34C=C[C@H]5CC[C@@H](CC3)[C@@]5(C)N4)=CC(C)=C2C1 2356369411 FNBQIAPRYNPZHU-FGTVAQAJSA-N 363.589 6.492 30 1 FKEF CCC[C@@]1(c2ccccc2)CC(=O)C(SCc2ccccc2)=C(O)O1 13766399 LCHYVZUTNRARNR-NRFANRHFSA-N 354.471 5.332 30 1 FKEF C=CC[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355790 WCRZZYJPFPVUIY-VZPUWSDOSA-N 366.432 5.395 30 1 FKEF CCCCCCC/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587818831 KDIVNFIXLLIJIP-NZZWAHBWSA-N 368.334 6.080 30 1 FKEF C#CCNC(=O)CCC/C=C\C/C=C/C/C=C\[C@@H](C)/C=C\CCCCC 1857758028 JZEKLPLXPWAQPT-PWBDFYLLSA-N 355.566 6.128 30 1 FKEF C=C1CC[C@@H]2[C@@H]1C[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)CO)[C@@H]1C[C@@H]1O[C@@]12C 2356666239 JPWWOAMPHFTWJX-UILJXENUSA-N 372.593 5.908 30 1 FKEF CCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1 45393828 SDRGNRVOMGIPIW-PXLXIMEGSA-N 358.413 5.367 30 1 FKEF CCCCCCCCCCCCCCCCCCC[C@H]1CCCC(=O)O1 220155587 UKEXHCKUCRRCAR-QHCPKHFHSA-N 366.630 8.124 30 1 FKEF C=C1[C@]23CC[C@H](C)[C@H]4C[C@@]5(C)C[C@@H](O)[C@H](C(C)C)[C@@H]5C[C@]14[C@@H]2CC[C@@H]3C 238744308 XFSYVFXZAWBIIL-UQHSOTNHSA-N 356.594 6.074 30 1 FKEF COc1ccc2cc([C@H](C)C(=O)c3coc4cc(C#N)ccc34)ccc2c1 587278575 RRMRTVTWEIJKFF-AWEZNQCLSA-N 355.393 5.453 30 1 FKEF C=CCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587810933 DUGCQMOSUPDAAC-JLTOFOAXSA-N 374.297 5.332 30 1 FKEF C=C1C[C@@H]2C[C@H](C1)CC1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816628 BMNDFSYDIYPUJP-WFDJVJNXSA-N 364.302 5.084 30 1 FKEF CCc1c(C)nn(-c2cccc(C#Cc3cc(Cl)ccc3OC)c2)c1C 587905508 XKCVCJYNOUQPCC-UHFFFAOYSA-N 364.876 5.113 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2nc(Cl)cc(Cl)c2c1 587909065 PAAWHMSKXBFIPH-UHFFFAOYSA-N 362.643 5.603 30 1 FKEF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1cc2ccncc2o1 963205163 NJIQTCSOLZTCDA-URXFXBBRSA-N 365.436 5.040 30 1 FKEF C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)CCC=C(C)COC(=O)c1ccccc1C(=O)O 2356491198 GOPWGEUCLQCLRB-BSRJHKFKSA-N 368.473 5.261 30 1 FKEF COc1cc(OC)c2c(Nc3ccc(Cl)cc3Cl)c(C#N)cnc2c1 13862200 MRLFXKDPVRSCIY-UHFFFAOYSA-N 374.227 5.174 30 1 FKEF C=C[C@]1(C)CC[C@H]2C(=CC[C@@H]3[C@@](C)(COC(=O)CC(=O)O)CCC[C@]32C)C1 14656618 MDEBRCINDGZVPW-HMKLVTIHSA-N 374.521 5.140 30 1 FKEF CCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2C1=O 95558498 VLEOPPXCEQRRMI-UHFFFAOYSA-N 356.462 5.414 30 1 FKEF O=C1C[C@@H](c2ccccc2Cl)CC(O)=C1Sc1ccccc1Cl 299829959 UCSUKGJYCVAUPJ-NSHDSACASA-N 365.281 6.002 30 1 FKEF Cc1ccc(SCc2nc3cc(C#N)cc(Br)c3[nH]2)c(C)c1 586963506 KXKRKYATCKIFPY-UHFFFAOYSA-N 372.291 5.106 30 1 FKEF N=C(C[C@H](O)c1cc2ccccc2c2ccccc12)N/N=C/C1CCCCC1 1772605681 WKXHAJRWJIQRRK-LRULAXNGSA-N 373.500 5.549 30 1 FKEF CCCCCC=CCCCCCCCCCCCCCCCCCC=O 2356420157 QGJGFYKELVSIGY-UHFFFAOYSA-N 364.658 8.954 30 1 FKEF C=C1CCC[C@@]2(C)C=C3C(=C(C)C(=O)N3CCc3c[nH]c4ccccc34)C[C@H]12 2356806209 VPKBMSCUUZHADP-BWKNWUBXSA-N 372.512 5.519 30 1 FKEF C=C(CNC(=O)CCCC[C@H]1C[C@@H]1CCCCCCCCC)C(=O)OC 2356834222 KMJVEGYVYIPRJF-PMACEKPBSA-N 365.558 5.169 30 1 FKEF C[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C=CC(=O)C(C)(C)[C@H]1CC3 2356867492 WSGABYGALSWQQJ-LQOJMZHASA-N 370.577 5.709 30 1 FKEF CCCCCCCC(=O)c1ncc(CCCCSCCCN(C)C)o1 82158090 DXDBMNNLGOKZRV-UHFFFAOYSA-N 368.587 5.225 30 1 FKEF CCCCCCC[C@](O)(c1cccc(Cl)c1)c1ccc(F)c(F)c1 84672348 XFWWDCHNVZATEO-FQEVSTJZSA-N 352.852 6.215 30 1 FKEF CCCCOc1cccc(-c2cc(C#N)cc(Oc3ccccc3F)c2)c1 89469747 UAKATWPAMPUAOK-UHFFFAOYSA-N 361.416 6.336 30 1 FKEF C=CCn1c(-c2ccccc2/C=C/c2ccccc2)nc2ccccc2c1=O 299866941 XBAXNCUVMGMNKO-WUKNDPDISA-N 364.448 5.420 30 1 FKEF O=Cc1ccc(C(=O)CCCC=CCCCCCCCCCCC=NO)[nH]1 2356463298 WLASJVZSTAYOLT-UHFFFAOYSA-N 374.525 6.097 30 1 FKEF CC(C)CC[C@H](C)CCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356820560 FMLXCEGMUOREDJ-MSOLQXFVSA-N 365.558 5.421 30 1 FKEF COc1ccc(/C=C(\C)C(=O)c2ccc(Cl)cc2Cl)c(OC)c1 27554903 NMORTTCMONDGKT-DHZHZOJOSA-N 351.229 5.297 30 1 FKEF CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(=O)O 53683097 FRAMWPHPFIXRCP-KRWDZBQOSA-N 359.576 5.139 30 1 FKEF in-vivo N#Cc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1C#N 587164216 OSOUYSHRYIVUMR-IUXPMGMMSA-N 370.412 5.096 30 1 FKEF CC(C)=CCOc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)c(O)c1 1772576259 BDKGXJFSFICRGA-XYOKQWHBSA-N 358.437 5.787 30 1 FKEF C=C(CNC(=O)CCCC[C@@H]1C[C@@H]1CCCCCCCCC)C(=O)OC 2356834224 KMJVEGYVYIPRJF-VQTJNVASSA-N 365.558 5.169 30 1 FKEF N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccsc1)CCCC2 53295569 WVNCYWHQSGTBQC-UHFFFAOYSA-N 362.523 5.853 30 1 FKEF C[C@]12CC[C@H]3[C@@H](C=CC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141092847 SKICSTFXMTXUAD-RGGOQPQTSA-N 361.485 5.269 30 1 FKEF CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@@]34C=CCO4)[C@@H]21 261128647 KSBBSPJEGUHNTP-YCZZPANZSA-N 354.534 5.480 30 1 FKEF C=CC[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355791 WCRZZYJPFPVUIY-XORNHQRDSA-N 366.432 5.395 30 1 FKEF C=C(CNC(=O)CCCCCCC=CCCCCCC(C)C)C(=O)OC 2356794048 KWYKVTXNBGDNQC-UHFFFAOYSA-N 365.558 5.335 30 1 FKEF CCCCCCn1c(C#N)ccc1-c1cc2c(C)cc(=O)oc2cc1OC 1772651475 RKFJABVANOKYKH-UHFFFAOYSA-N 364.445 5.031 30 1 FKEF N=c1c2c([nH]c3ccccc13)CC/C(=C\c1cccc3ccccc13)C2=O 1857767129 AVIVABHWJHMFPE-SAPNQHFASA-N 350.421 5.013 30 1 FKEF COc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2c1 26718965 HVBPQPROGXXCLH-UHFFFAOYSA-N 367.408 5.651 30 1 FKEF C=CC(C)(C)c1c(OC)cc(/C(C)=C/C=C/c2[nH]ccc2Cl)oc1=O 142318351 KMCWFIGQAAUEOM-AVPQAVFTSA-N 359.853 5.210 30 1 FKEF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C#N)cccc4[nH]3)c21 587030226 AEWRULZQJRUDAT-CYBMUJFWSA-N 358.470 5.394 30 1 FKEF C=CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810935 DUGCQMOSUPDAAC-VBKZILBWSA-N 374.297 5.332 30 1 FKEF CCCCCCCCCCCCCCCNC(=O)c1cc(O)ccc1O 1772603127 CCLOOTJVMJNUEG-UHFFFAOYSA-N 363.542 5.919 30 1 FKEF C(=N/c1ccccc1)\c1ccc(-c2ccc(/C=N/c3ccccc3)cc2)cc1 12403153 XOVYDTOPYAXMQU-MKYUKRCKSA-N 360.460 6.855 30 1 FKEF CCCCCCCCCCCCCC[C@H](N)CNCCCCC(=O)O 43285548 KXHYLUANGPTSRF-FQEVSTJZSA-N 356.595 5.249 30 1 FKEF CCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC 72173091 GCBMLYCDKPXHAI-UHFFFAOYSA-N 370.574 6.210 30 1 FKEF CCCCCCCCCCCCN/C=C1/N=C(c2ccc[nH]2)C=C1OC 156264839 FDQXCPYGFLFWFX-DYTRJAOYSA-N 357.542 5.700 30 1 FKEF CCCCCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365547 KWSNDNVTFBZMEF-UHFFFAOYSA-N 373.496 7.170 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)c(C(F)(F)F)cc1Cl 587914046 URPYCOYDJUQDFO-UHFFFAOYSA-N 363.137 5.560 30 1 FKEF C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1sc(C)nc1C 1772605847 BJFFPCVZMUUBAI-KEBDBYFISA-N 362.911 5.373 30 1 FKEF CCC1=C[C@H]2CC[C@@]34C[C@]35CC[C@H](NC)[C@@H](C)[C@@H]5CC[C@H]4[C@]2(C)CC1=O 1857539440 MMLPIFFBKAAEOF-CVBSHFIBSA-N 355.566 5.133 30 1 FKEF CCCCCCCCCCCCCCCC=C1C(=O)O[C@@](C)(O)[C@H]1O 2356511723 NFTRQOSKSNZQCQ-PZJWPPBQSA-N 354.531 5.020 30 1 FKEF CC(C)=CCC[C@]1(C=O)[C@H]2CC=C(C)CCC=C(C)CC[C@H]1[C@]1(CC2)CO1 2356626560 CFTIGVMTUOJNLU-NDBXHCKUSA-N 370.577 6.570 30 1 FKEF CCCCCCC=CC[C@H](CCC(C)C)CC[C@H](CCN)CCC(=O)O 2356751465 IKGZORJBSFBHSK-YADHBBJMSA-N 367.618 6.566 30 1 FKEF CCCC[C@@H](C)CCCCCCCCCCC(O)=C1C(=O)CN(C)C1=O 2356788784 CLQUSAOKQUHSNL-GOSISDBHSA-N 365.558 5.567 30 1 FKEF CCCC[C@@H](C)CCCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356789633 DNXKNCGWAAYKPA-MSOLQXFVSA-N 365.558 5.565 30 1 FKEF CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=N/NC(N)=S)C(C)(C)CCC1 28711368 JQKGIPVMXHVEOF-QBCRHDKISA-N 357.567 5.337 30 1 FKEF O=C1C=C(Oc2ccc(Cl)cc2Cl)C(=O)c2cc3ccccc3cc21 29041050 GUMMQPFWNKUVJE-UHFFFAOYSA-N 369.203 5.489 30 1 FKEF CCCCCCCS[C@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@H]1O2 43443401 KCOKBDWYBNXFCM-WVVVBCMLSA-N 354.556 5.437 30 1 FKEF CCCCCCCCCCCCCCC(=O)C(=O)NCCCCOCC 44387859 ADDZROPIKDXVSC-UHFFFAOYSA-N 369.590 5.580 30 1 FKEF in-vivo CCCCCCCCCCC[C@H]1SC(=O)c2ccccc2[C@@H]1C(=O)O 44418280 ASBWHEMURPCGOO-MOPGFXCFSA-N 362.535 6.031 30 1 FKEF CCC(=O)/C=C/[C@@]1(C)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)C[C@@]2(C)O1 238748870 DJTVQIDPSCHPOP-YOKABPCLSA-N 362.554 5.063 30 1 FKEF N#Cc1cccc(-c2c(-c3ccc(Cl)nc3)[nH]c3cccc([N+](=O)[O-])c23)c1 587645592 ZAKMFLWINXBXOE-UHFFFAOYSA-N 374.787 5.330 30 1 FKEF C=C(C)[C@@H]1CC=C(C)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816999 HEHBXGNJAFJBKB-LPMFXHHGSA-N 364.302 5.250 30 1 FKEF C=C1CC([C@@]2(C3CCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587821196 TUZGWRPCJSTPSY-CWTRNNRKSA-N 364.302 5.084 30 1 FKEF CCCCCCCCCCCCCCC/C=C/C(=O)N1CCCCCC1 1857761364 FNNPXXSRFNQIKW-DYTRJAOYSA-N 363.630 7.427 30 1 FKEF CCCC[C@@H](C)CCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356857965 SOJRDBWVSDEOFR-IAGOWNOFSA-N 351.531 5.175 30 1 FKEF CCCCCCCCCCN1C(=O)CC[C@](CC)(c2ccncc2)C1=O 36087919 SXTLDMNRUOLZME-JOCHJYFZSA-N 358.526 5.019 30 1 FKEF C/N=C1\Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1c1cccs1 40411653 FNPOKSXSTSXKHN-LJQANCHMSA-N 365.889 5.434 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CCc2c(O)cccc2C1 42965719 APZVHQDZMBBDRZ-QFIPXVFZSA-N 359.598 6.540 30 1 FKEF CCCCCCCCCCCCNc1c2ccccc2nc2ccccc12 169331082 USWDNJYFOXUPBC-UHFFFAOYSA-N 362.561 7.721 30 1 FKEF CCCCCCCCCCCCCC1=C(C)N(C(=O)c2ccccc2)CC1 238737350 PJRFGAHNCLDOPT-UHFFFAOYSA-N 369.593 7.508 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600789 BMJQLIVUNKNKCK-VTHBDYCDSA-N 364.441 5.105 30 1 FKEF O=C(/C=C/c1ccccc1Cl)c1ccn2cc(-c3ccccc3)ncc12 1857598700 LCXGVMIRKOKNSH-ZHACJKMWSA-N 358.828 5.551 30 1 FKEF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C/N=C/c1cnc[nH]1 1857749482 LEOIMNDLJHJMIB-VQNZLZDDSA-N 363.549 5.663 30 1 FKEF C=C(C(=O)O)[C@H](CCCC=CCCCCCCCCCCC)C(=O)O 2356589319 DMZSLKOHRRVYHI-IBGZPJMESA-N 352.515 5.975 30 1 FKEF N#Cc1ccc([C@H]2C[C@@H](n3ccnc3)c3ccc4ccccc4c3O2)cc1 71281927 DUNNACINMFVVPI-FGZHOGPDSA-N 351.409 5.021 30 1 FKEF C[C@H](c1cc(Cl)nc(Nc2ccc(C#N)cc2)n1)c1c(F)cccc1F 73297751 HLSWJSYORADGNF-LLVKDONJSA-N 370.790 5.175 30 1 FKEF CCCCCCCC/C=C\CCCCCCC[C@]1(O)CC(=O)C=C[C@H]1O 85832136 ZPYABTHUTGWONW-UHAUOVHRSA-N 364.570 5.645 30 1 FKEF O=C(O)CCc1cccc(COCC#CCCCCCc2ccccc2)c1 95552741 CJIQRQSOKGNOIY-UHFFFAOYSA-N 364.485 5.027 30 1 FKEF N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1ccc(-c2ccccc2)cc1 200836458 JPEZKBIDFLYQKW-UHFFFAOYSA-N 364.404 5.381 30 1 FKEF CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 238736712 GTBFQOGSRWBGDY-UJHNSAFVSA-N 374.568 6.848 30 1 FKEF C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(OC)OC 238772825 ZLHIOIIUQWUZEK-ZGMMZYFLSA-N 366.542 5.275 30 1 FKEF N#Cc1cc(Cl)c2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2c1 587145734 QTJGZYZVUXQOPX-UHFFFAOYSA-N 361.807 5.485 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587822693 MAVORXKBVQYJPG-HLBODDRNSA-N 366.318 5.330 30 1 FKEF N#Cc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1C(F)(F)F 587968997 PGBHVISGKCHZHP-CMDGGOBGSA-N 363.342 5.777 30 1 FKEF C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]45C[C@@]35CC[C@]12C 1857584159 YYXCNUVITXXGGX-YSLARLOXSA-N 369.593 5.523 30 1 FKEF CN1C/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)/C(=C/c2ccccc2F)C1 1857644173 LSAMWKZDRSIINU-IWGRKNQJSA-N 363.476 5.105 30 1 FKEF C=C[C@](C)(CC/C=C(\C)Cc1cc(C)co1)CC(=O)c1ccc(O)cc1O 13340427 LWGOWLLEFFBWEM-GBXRJUDBSA-N 368.473 5.734 30 1 FKEF CSC(=O)N1CC2(CCCCC2)CO/C1=N\c1cccc2ccccc12 40914331 RYYJPTMWMZQTTI-QOCHGBHMSA-N 368.502 5.593 30 1 FKEF CCCCCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1 43380043 JWGQYDRSKJXYBK-UHFFFAOYSA-N 359.517 6.583 30 1 FKEF CCCCCCCCCCCCCCCCSC(=S)n1ccnc1 103287132 MNPVMERXQZEGAY-UHFFFAOYSA-N 368.656 7.231 30 1 FKEF N#Cc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1C(F)(F)F 587086625 BFGONSDBQFSKPD-UHFFFAOYSA-N 360.726 5.255 30 1 FKEF CCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1CC 587561323 NVCNWWQBBZLGHH-UHFFFAOYSA-N 359.514 5.462 30 1 FKEF C=C1[C@H]2CC[C@@](C(=O)CCc3ccccc3)([C@H]2OC)[C@]1(C)C1CCCC1 2356440939 XELMFKCJQTWXBI-AYVPJYCDSA-N 352.518 5.366 30 1 FKEF C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)CC2)cc1O 13819856 ZAIIZDMGLNYKSN-LEWJYISDSA-N 368.561 7.116 30 1 FKEF CCC[C@@]1(CCc2ccccc2)CC(=O)C(Sc2ccccc2)=C(O)O1 28473099 BWVJQBVUFAFUQS-JOCHJYFZSA-N 368.498 5.667 30 1 FKEF C=CCCCCCCCCC1=NC[C@H](c2ccc(Cl)cc2)CC(=O)O1 42887931 NIEQEXRZOCAVFN-GOSISDBHSA-N 361.913 6.076 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CCc2c(cccc2OC)C1 42923956 ZTKHQONPMFQEMG-QHCPKHFHSA-N 373.625 6.843 30 1 FKEF C(\C/C=N/c1ccc(-c2ccccc2)cc1)=N/c1ccc(-c2ccccc2)cc1 169724329 KDMSMPUUJBGHTI-IABPKXMJSA-N 374.487 7.516 30 1 FKEF C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O 238773698 IAMPTQYXEGSJPK-GAKKHBCFSA-N 364.526 5.218 30 1 FKEF CC(C)c1cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(O)c(C(C)C)c1 586897123 XZKSGYJSUGLNLR-UHFFFAOYSA-N 354.841 5.102 30 1 FKEF N#Cc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587071199 MLRLPDYJFVWOFC-UHFFFAOYSA-N 359.816 5.334 30 1 FKEF N#Cc1ccc2c(C(=O)/C=C/c3ccc(Br)cc3F)coc2c1 587278559 QUHXSWJDZSENHE-ZZXKWVIFSA-N 370.177 5.102 30 1 FKEF C[C@](CCC#N)(c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502230 FDWOBQRUFSUAJI-UPVQGACJSA-N 359.469 5.161 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(SCc2ccccc2)cc1 587919666 SXEOUOJGHUAOQI-UHFFFAOYSA-N 364.897 6.041 30 1 FKEF C=C1C[C@]2(CCC3(CCCC3)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@@H]1[C@@H]23 2356768554 RLZPIHCBWILNHW-CSVLTYGTSA-N 354.578 6.667 30 1 FKEF COc1ccc2cc(/C=C/C(=O)/C=C/c3ccc(N(C)C)cc3)ccc2c1 71329154 MPPUCJKAXPVGLT-FNCQTZNRSA-N 357.453 5.210 30 1 FKEF CCC[C@H]1CC[C@H](c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)CC1 587905695 DZTFGZHZRIJRHY-KESTWPANSA-N 366.932 6.822 30 1 FKEF CCC=CCCC[C@@H]1C[C@@H]2CC[C@H]3C[C@@H](CCCCCCC)NC(=N1)N23 2356319628 RTIHUTXMEHQCPS-CZYKHXBRSA-N 359.602 5.807 30 1 FKEF C=CC[C@@H](CC/C=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC 13473231 SSJXRCYFOOLEKV-NDGVNHDXSA-N 359.579 5.976 30 3 FKEF CC(C)[C@H]1CCN2Cc3ccccc3C[C@H]2[C@H]1/N=C/c1ccc(Cl)cc1 26743877 FFTBFFQGRSXUAJ-UMCKIUOUSA-N 366.936 5.230 30 1 FKEF C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc(Br)cc2)cs1 28951715 DOBCKAARTRJCGF-NUSFMGPTSA-N 364.312 5.551 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)C[C@H]4[C@H]5C(=CC[C@@H]3[C@@H]12)CO[C@@]5(O)C[C@H]4C 39161352 KKLLBIFNYVWKON-LTPUCEESSA-N 370.577 5.723 30 1 FKEF CN1[C@H]2CC[C@@H]1CC(=NO[C@@H](c1ccccc1)c1ccccc1Cl)C2 49113789 XHZOJUVBFLNUDN-UEXGIBASSA-N 354.881 5.059 30 1 FKEF C=CCN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 100872565 MMRRATOYUMFVAD-FUDKSRODSA-N 367.920 5.627 30 1 FKEF CO/N=C(/c1ccc(Cl)cc1)c1ccccc1COc1ccccc1 103276263 NRLVVFXPTQSIKP-LNVKXUELSA-N 351.833 5.318 30 1 FKEF CCCCCCCCCCNc1cncc(Oc2ccccc2OC)n1 104932187 MCWLPIXZFKNZOZ-UHFFFAOYSA-N 357.498 5.830 30 1 FKEF CCCCCCCCCCCCC[C@@H](CC)Oc1ccc(C(=O)O)cc1 169344840 JGWIIOUNZRMXRF-OAQYLSRUSA-N 362.554 7.243 30 1 FKEF N#Cc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1C#N 587124273 KKVOQJGPTFVTEE-ZZXKWVIFSA-N 370.359 5.089 30 1 FKEF CCCCCCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811474 GKWNUFZMLWFLPJ-KUHUBIRLSA-N 370.350 6.088 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc2c(Cl)cc(Cl)nc12 587911439 HKFFLRUEILJJDB-UHFFFAOYSA-N 362.643 5.603 30 1 FKEF CCCCCCCCn1ccc2cccc(OCCCN3CCCCC3)c21 1857748725 DARHALKVKVYWKG-UHFFFAOYSA-N 370.581 6.257 30 1 FKEF C=CCC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 13760811 AOZYKDJZYHXRCA-MIMUCIECSA-N 372.593 5.932 30 1 FKEF CCCCOc1ccc(/C=C/C(=O)c2ccc(OCCCC)cc2O)cc1 28713587 ANDYXFQEWFYXOP-NTEUORMPSA-N 368.473 5.646 30 1 FKEF C=CC/C=C\C/C=C\CCCCCCCC1=C(O)C(=O)C=C(OCC)C1=O 42877269 TZHMUUDTNYTFMW-HZJYTTRNSA-N 372.505 5.680 30 1 FKEF C=C(CCCCCCCCCC)CCCCCNc1ccc(C(=O)O)cc1 43705914 NJFFXFLSQZVMTM-UHFFFAOYSA-N 373.581 7.444 30 1 FKEF CCCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1 49761957 OVFNTSYUCWVKBI-HAVVHWLPSA-N 369.465 5.404 30 1 FKEF Cc1nc(Nc2ccccc2)sc1C(=O)/C=C/c1ccccc1Cl 64526964 DWOPYWISHSHEKH-VAWYXSNFSA-N 354.862 5.745 30 1 FKEF Cc1ccsc1/C=N/Nc1nc2ccccc2nc1Cc1ccccc1 64744330 ORZSUUIBWKRSJB-HYARGMPZSA-N 358.470 5.037 30 1 FKEF CC#C[C@@H](CC(=O)O)c1ccc(Oc2cccc(-c3ccccc3)c2)cc1 73196082 MQIUXRHHFDVXQN-FQEVSTJZSA-N 356.421 5.728 30 1 FKEF CCCCCCCCCCCCCCCCCCCOC[C@@H](O)CO 85479807 KIACEDHAENTMQK-QFIPXVFZSA-N 358.607 6.008 30 1 FKEF biogenic COc1ccc(C(=O)/C=C/c2ccc3c(ccn3C)c2)c2c1C=CC(C)(C)O2 169311484 VQFZBJDNIVNIEU-RMKNXTFCSA-N 373.452 5.267 30 1 FKEF CCCC/C=C\COC[C@@H](O)COC(=O)CCCCCCCCCC 238764309 AQZFORIMCWMRNP-AFRXXKALSA-N 356.547 5.184 30 1 FKEF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587109950 YACVSRCQKVALHO-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF CCCCCCC/C=C/C[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587525963 ULUGQHVEZCADLO-DFPJYHPSSA-N 368.561 6.986 30 1 FKEF C=C1C[C@]2(CC[C@]3(CCC[C@@H]3CO)C2)[C@@H]2O[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C 2356365737 QZQQCWGWNDJJMV-LDSVZLMLSA-N 358.566 5.495 30 1 FKEF C=C(C)[C@H]1CC[C@H](C)C[C@@H]1c1c(O)cc(/C=C/c2ccccc2O)cc1O 14584426 QZIGMIOMEWTNCH-VVNJCPJNSA-N 364.485 6.070 30 1 FKEF CCCCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27747837 APZRMZNKLVPYEJ-VQTJNVASSA-N 352.518 6.129 30 1 FKEF CCCCCC/C=C\CCCCCCCCCCC/C=C/c1ccco1 85830952 JTVXBPXORIDQCS-USCVEGEPSA-N 358.610 9.111 30 1 FKEF C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2c1cccnc1)[C@H]1C[C@@H]1C1=CC(=O)CC[C@@]13C 141923211 FRSPDRIARDOSKB-VXJRGYGCSA-N 359.513 5.463 30 1 FKEF N#Cc1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1 143122792 YMFSRZPLRNPVIN-UHFFFAOYSA-N 361.408 5.393 30 1 FKEF C=C[C@H](OC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)c1ccc(OCC)c(OC)c1 169306186 NTCIBNHPEUHQOT-FUHIMQAGSA-N 358.478 5.103 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 253779018 LITALIXFZJINEA-BAWBWBJTSA-N 370.443 5.159 30 1 FKEF N#Cc1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015431 PJMCOYPHUVOKNH-UHFFFAOYSA-N 371.252 5.532 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1 587904775 WVJDZIDZYSIIHY-UHFFFAOYSA-N 354.921 6.343 30 1 FKEF Cc1cc(C)c(Oc2cc(Cl)nc(Nc3ccc(C#N)cc3)c2)c(C)c1 653701075 OABIRUFMVLLFCR-UHFFFAOYSA-N 363.848 6.068 30 1 FKEF CCCCCCCCCCCCCCNC(=O)c1c(O)cc(C)oc1=O 1857635593 OHSOALLHSNTUDE-UHFFFAOYSA-N 365.514 5.085 30 1 FKEF CCCCCCC=CC[C@@H](CCC(C)C)CC[C@H](CCN)CCC(=O)O 2356751464 IKGZORJBSFBHSK-VXKWHMMOSA-N 367.618 6.566 30 1 FKEF O=C1C=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](c2ccc(F)cc2)C1 36388255 RCDXCGUUNCYXNF-CYBMUJFWSA-N 368.757 6.028 30 3 FKEF [N-]=[N+]=Nc1ccc(CCCN[C@@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 28008499 YRTWRTHAKNPCOO-AZUAARDMSA-N 372.513 5.745 30 1 FKEF CC(C)[C@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1 28901252 JITCFZZJUPHBRG-AREMUKBSSA-N 368.524 6.041 30 1 FKEF C=CCc1c(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c(OC)c2ccoc12 169354113 SGVILUCOLMBNRG-JXMROGBWSA-N 368.816 5.425 30 1 FKEF C=C(C)C(=O)Nc1cccc(-c2ncnc3[nH]cc(-c4ccc(C)cc4)c23)c1 261098698 FVWPCNHBSIAOBB-UHFFFAOYSA-N 368.440 5.115 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cncnc1CCCCCC(C)C 587903046 IWADOVGGCUXRIU-UHFFFAOYSA-N 356.897 5.297 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(C)cc(OC(F)(F)F)c1 587915518 WQFIMYHXQAFDPK-UHFFFAOYSA-N 354.755 5.150 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C=O)s2)cc1 587920991 RMJUNYVATMEPMU-UHFFFAOYSA-N 352.842 5.289 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@@H](C)[C@]2(C)Cc1cc(C(=O)OC)ccc1O 2356467326 MCWRSBQVRBILTP-SAVREHANSA-N 356.506 5.520 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc(C(=O)O)cc(O)c1O 14710028 ZEFXWSGFOUQFSK-SRBBEKPSSA-N 358.478 5.137 30 1 FKEF biogenic CCCCCCCCCCCCCCCC(=O)N[C@H](C)c1ccccc1 58591387 OYLVILCDJLQABO-JOCHJYFZSA-N 359.598 7.345 30 1 FKEF C[C@]12CCC3(C=C1CC/C(=C\C=C\c1ccccc1)C2=O)SCCS3 71318868 JFRKMCVUMGBDCG-NFPIWJSASA-N 368.567 5.892 30 1 FKEF CCCCCCCCCC[C@@H]1CC[P@@](=O)(OC)OC(C)=C1C(=O)OC 95578797 NHTZROPHLCBBHP-CRICUBBOSA-N 374.458 5.840 30 1 FKEF N#Cc1c(N)c(C#N)c(-c2ccc(F)cc2)c2c1C[C@H](c1ccccc1)S2 95603853 RMXRAJJRVIDSMR-LJQANCHMSA-N 371.440 5.208 30 1 FKEF CCCCCCCCCCN1CCC[C@H](C(=O)N(CCC)CCC)C1 169345695 SKWZMIRZELNHEN-NRFANRHFSA-N 352.607 5.488 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](O)COC(=O)C(C)C 238753145 SIGXECSTAGRYAX-NRFANRHFSA-N 356.591 6.418 30 1 FKEF CC1=CC(C)(C)Nc2ccc(Cc3ccc4c(c3)[C@@]3(C)O[C@H]3C(C)(C)N4)cc21 238765925 NYOWOQUEQHRHDZ-WIOPSUGQSA-N 374.528 5.703 30 1 FKEF COc1ccc([C@H]2CC(=O)C(Sc3ccccc3Cl)=C(O)C2)cc1 299826851 IGLGIYOYJICTQD-CYBMUJFWSA-N 360.862 5.357 30 1 FKEF C=CCc1cccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587095042 NXWGHDZDWSYACR-UHFFFAOYSA-N 370.296 5.996 30 1 FKEF CCCCCCCCCCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279030 DRIWYXXCCYELSV-UHFFFAOYSA-N 373.493 7.225 30 1 FKEF C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(CCC/C=C/C(=O)O)CCC[C@@]23C)C1 27097997 RRWSYMHVTCDSNN-HFPABAOJSA-N 370.577 6.933 30 1 FKEF O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)c1ccc3ccccc3c1N2 40394959 OZVSEQPYEHDFQE-OAQYLSRUSA-N 370.408 5.313 30 1 FKEF C=CCc1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016580 YQBFSILGZJGEDW-UHFFFAOYSA-N 351.862 5.735 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587964604 AAKHFSVNVNCYOG-YPKPFQOOSA-N 368.436 5.346 30 1 FKEF CCCCCCCC[C@H](CCCC=CC(=O)O)Cc1cccc(C#N)c1 2356396948 BADPUGUHZNXNLE-HXUWFJFHSA-N 355.522 6.279 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC1=C(O)C(=O)C=C(OCC)C1=O 2356462955 KHYSBNREYPBDKG-VKZMIXJFSA-N 372.505 5.060 30 1 FKEF C=C1OC(=O)C(=CCCCCCCCCCCCCCCCCC)[C@H]1O 2356631197 SQZLNCJQWPKOOM-QFIPXVFZSA-N 364.570 6.606 30 1 FKEF CC(C)CN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N\c1ccccc1 84654535 ABCHDNIRQCIPSM-JLZFKDTQSA-N 370.905 5.600 30 1 FKEF CCCCCCCCOc1ccccc1[C@@H]1CC(=O)c2ccc(O)cc2O1 299830596 IQKPXADUGKNVRX-QHCPKHFHSA-N 368.473 5.838 30 1 FKEF N#Cc1ccccc1SCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586964520 GBUOKYJVJIZERG-UHFFFAOYSA-N 367.783 5.399 30 1 FKEF Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1C 587090498 VZPIEAZYFPQMHX-UHFFFAOYSA-N 364.211 5.104 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)CCC[C@@H](O)CCC(C)C)s2)s1 2356352217 PJWRMGUYTJNJLR-MRXNPFEDSA-N 374.571 5.998 30 1 FKEF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NC3CCCCC3)CC[C@H]12 2356731033 UBVDQPPYMIRBTH-DYQCHKHTSA-N 355.610 7.193 30 1 FKEF C=C1[C@H](C)CCC[C@]1(C)CC[C@@]1(C)C=Cc2c(O)c(OC)cc(OC)c2O1 14589307 RHDKGXOTYDFQHO-DURYTUKUSA-N 372.505 5.736 30 1 FKEF biogenic N#Cc1cc(Cl)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 587062672 IKMMCWKPVJAISI-UHFFFAOYSA-N 355.184 5.063 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccccc2F)cc1 587916257 GAYRCGPHDQOWGT-UHFFFAOYSA-N 352.792 5.680 30 1 FKEF C=C(C)[C@@H]1CC[C@](C)(OC(=O)C=Cc2ccccc2)[C@@H]2CC=C(C)[C@H]2C1 2356413254 UIUPDHGXUGRZTO-AZKZNFPZSA-N 350.502 5.960 30 1 FKEF Cc1ccccc1Nc1cc(/C(O)=N/Cc2ccccn2)c2ccccc2n1 4910741 HCSDUJICFXKTIT-UHFFFAOYSA-N 368.440 5.187 30 1 FKEF C=CCc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1O 587205688 CTIZETSJRKIZHU-UHFFFAOYSA-N 363.416 5.547 30 1 FKEF C(=Nc1ccc(-c2ccc(N=Nc3ccccc3)cc2)cc1)c1ccccc1 1081815661 YYSCGMAQIHORLE-UHFFFAOYSA-N 361.448 7.520 30 1 FKEF biogenic C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)OCCCC)CCC[C@@]23C)C1 2382219605 AIJCHBHFOOVETC-BXCUIXJJSA-N 358.566 6.465 30 1 FKEF CCCCCCCCCCCCCn1cc(COc2ccccc2O)nn1 2382239731 WIMZEOAYORKYFC-UHFFFAOYSA-N 373.541 5.874 30 1 FKEF N#Cc1cccc(NC(=O)O[C@@H]2CCC23CCC(c2ccccc2)CC3)c1 96019220 JAZQMPKMFQGAOC-YUVVGHDESA-N 360.457 5.613 30 3 FKEF CCCCCCCCCC/C=C/c1cc(=O)c2ccccc2n1CCC 71281418 YIWGQTXUPFBPND-DTQAZKPQSA-N 353.550 6.956 30 1 FKEF CC=C1C(=O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](NC)CC[C@]45C[C@]35CC[C@]12C 2356428893 BJDBLZLWPJZWEU-HXBHREQDSA-N 367.577 5.443 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)C(C(C)=O)=CC[C@]2(C)[C@@H]4CC[C@@H]13 2356554483 PHBLQXXYZFXKQX-YQMHAYTLSA-N 367.577 5.395 30 1 FKEF Cc1cccc(C)c1N/C(S)=N\N=C/c1ccc(OCCC(C)C)cc1 33409999 BIHVOVYTUAZKHG-HMAPJEAMSA-N 369.534 5.460 30 1 FKEF O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1ccc3ccccc3c1N2 40913746 PUDKGVUENQKHBT-NRFANRHFSA-N 359.856 6.058 30 1 FKEF C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 40957295 KRIKEQPXWUJINC-AGYNKUJHSA-N 354.306 6.095 30 1 FKEF CCCCCCCCCCCCCC[C@@H](C)Nc1ccc(C(=O)O)cc1 44201972 QFEKOZJHYWVHDH-HXUWFJFHSA-N 361.570 7.276 30 1 FKEF COc1cccc(-c2csc(N/N=C/c3cccc4ccccc34)n2)c1 58563964 UZUQBPYPQWBNBK-LPYMAVHISA-N 359.454 5.418 30 1 FKEF Cc1cccc(C)c1Oc1cc(Nc2ccc(C#N)cc2)nnc1Cl 95601404 YGVACEDEEJMICW-UHFFFAOYSA-N 350.809 5.154 30 1 FKEF CO/N=C(/c1cc(C)ns1)c1ccccc1COc1cc(C)ccc1C 103178465 BJVINCLCPHCMBD-QURGRASLSA-N 366.486 5.046 30 1 FKEF C/C=C1\[C@@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 141615004 KQTRIZLQZKQLOA-PQIHHQOUSA-N 356.506 5.006 30 1 FKEF N#Cc1ccccc1-c1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1 653862688 ALFCZMILNCSNCN-UHFFFAOYSA-N 363.804 5.399 30 1 FKEF C[C@@H]1C[C@@H]1c1ccc([C@H]2c3ccccc3CCN2[C@@H](C#N)c2ccccc2)o1 963192981 JPEQHVVDFLMDDH-AYALFZQESA-N 368.480 5.615 30 1 FKEF CCC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356744948 RACRSWIMRBVETP-LDYZSMODSA-N 370.533 5.396 30 1 FKEF Oc1ccc(Cl)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 45261719 YVEHHYOVCYXXTC-UFWORHAWSA-N 364.257 5.269 30 1 FKEF C=C[C@]1(COC(=O)CC(=O)O)CC[C@H]2C(=CC[C@@H]3C(C)(C)CCC[C@@]23C)C1 85946819 BAZLXRCUAMSUDL-WKZKVMAPSA-N 374.521 5.140 30 1 FKEF O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1O 103222420 QRKBRADIFBLIMX-RMKNXTFCSA-N 359.208 5.855 30 1 FKEF C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(OC)CC[C@@]21C)CC 238758588 ABMLEQSWYRYDQS-FZHBMWNWSA-N 358.522 5.433 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(Cl)c(OC)cc(OC)c1Cl 587899940 JZOVROHBNVLHFC-UHFFFAOYSA-N 371.647 5.072 30 1 FKEF CCCCCCCC/C=C\CCCCCCC[C@H](O)Cc1ccccn1 2382228414 ZRPANKJZTNYGCN-DHSLYTQISA-N 359.598 7.023 30 1 FKEF CN(C)c1ccc(/C=C/C(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1 71317571 XLLXWRMAVFSTSV-HBKJEHTGSA-N 369.464 5.841 30 1 FKEF CC1=C(/C=C/C(=O)/C=C/c2csc3ccccc23)C(C)(C)CC[C@H]1O 140697486 NKPSXKRBRARJMY-PRYOIWGKSA-N 352.499 5.537 30 1 FKEF Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C 587090213 NRIQGXTYROQZJL-UHFFFAOYSA-N 364.211 5.104 30 1 FKEF C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587191439 PCYGIWINOLBACH-HNNXBMFYSA-N 355.397 5.367 30 1 FKEF CCCCCCCCCCc1c(CC(=O)OC)nc2cccc3c2c1CC3 587214887 WRTGPTXIACRBJM-UHFFFAOYSA-N 367.533 5.732 30 1 FKEF CCCCCCC[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587402503 DOYMYLCIXONNHB-QHCPKHFHSA-N 351.490 5.798 30 1 FKEF Cc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C#N 587626945 ZYFDYZXLWOVHKR-UHFFFAOYSA-N 368.280 6.053 30 1 FKEF C=CCc1cc([C@@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)ccc1OC(C)C 962946943 MKEAOZOIMGOGET-DVECYGJZSA-N 374.528 5.697 30 1 FKEF CC(C)CC[C@]1(C(C)C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963209466 XDILWNJMSTXWOC-DQEYMECFSA-N 360.545 6.097 30 1 FKEF CC(=O)OC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 2356313432 ZDJFZKKZRYIOJS-CHXAAREASA-N 372.549 5.190 30 1 FKEF O/N=C1\CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 40762224 UVRVZIONWIGDLH-DBQOPWGUSA-N 360.501 5.033 30 1 FKEF CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1ccccc1F)N[C@@H]2c1ccccc1F 58512666 DPBGDUIBZNSYMQ-KSHFTBPHSA-N 370.443 5.159 30 1 FKEF Cc1cc(C)cc(Oc2cc(Nc3ccc(C#N)cc3)[nH]c(=O)c2Cl)c1 103259683 XBMHNNIGMVQTBY-UHFFFAOYSA-N 365.820 5.053 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 253810616 VTOAEHWHEKFQCU-BAWBWBJTSA-N 370.443 5.159 30 1 FKEF C=C1CC[C@@H]2[C@@](C)(C(=O)N(CC)CC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1 473153706 CNFAGGMXCAOFLL-KJBBBAAKSA-N 371.565 5.860 30 1 FKEF N#Cc1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 653779735 VLDAJVWJJPPMAY-OAQYLSRUSA-N 351.409 5.014 30 1 FKEF CCCCCCCCCCC[C@]1(c2ncco2)c2nn(C)cc2CCN1C 963953651 BULOGWRGODNEMX-JOCHJYFZSA-N 372.557 5.061 30 1 FKEF C/C(=N\O)c1cc2c(cc1C(C)C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 1772620524 QMCFMOKVQSNRED-MSOSAELXSA-N 357.494 5.103 30 1 FKEF CCCCCCCCC/C(=N\O)c1cc(-c2ccc(O)cc2)ccc1O 1857764174 JRZBQZFHWJOUKS-XTQSDGFTSA-N 355.478 6.084 30 1 FKEF CCCCCCCCC/C(=N\O)c1cc(-c2ccc(OC)cc2)ccc1O 1857773442 AAVJAASROXWJAI-ZNTNEXAZSA-N 369.505 6.387 30 1 FKEF CCCCCCCCCCCC[C@@H]1C[C@H]1CCC[C@@H](O)C#CC#CCO 2356432702 JOHTYJMIIFZAKY-SMIHKQSGSA-N 360.582 5.464 30 1 FKEF CCCCCCCC1=CC(=Cc2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C 2356634461 FUQGYJBNZNPALU-UHFFFAOYSA-N 351.494 6.121 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@H]([C@H](C)CCC=C(C)CO)[C@@H]3[C@H]1C2 2356634580 JPWFNNHZPMNWHM-NBTDEQPMSA-N 354.578 6.761 30 1 FKEF COC1=C(C)C(=O)[C@@]2(CC(CCC=C(C)C)=CC[C@@H]2C(C)C)C(=O)C1(C)C 2356773403 YLLJLJGJAVHFKG-DVECYGJZSA-N 372.549 5.810 30 1 FKEF CC(=O)OCc1cocc1[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C=O 2356808062 YKEOLTDVFAPURE-XMGTWHOFSA-N 360.494 5.042 30 1 FKEF CC1(C)CC(=O)C(/C=N/c2ccccc2Sc2ccccc2)=C(O)C1 13468603 YEULRHIKYMEHDZ-HYARGMPZSA-N 351.471 5.741 30 1 FKEF C=C(CCC=C(C)C)[C@H]1C/C=C(\CO)CC/C=C(/C)CC/C=C(\C)CC1 102945619 AJSOCTGMVJYROT-NDACNNDESA-N 356.594 7.461 30 1 FKEF FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Cl)cc2[nH]1 587090187 MXWWLNQYEHWIDU-UHFFFAOYSA-N 370.602 5.141 30 1 FKEF N#Cc1ccc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587189960 GSHXKXBNCIZJCP-UHFFFAOYSA-N 357.438 5.165 30 1 FKEF Cc1sc(N/N=C/c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 1857774983 RVPRXIWFYMUNMX-SSDVNMTOSA-N 361.392 5.583 30 1 FKEF CN[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@]35CC[C@]12C 2356561569 AJAVHIZBCQNHJK-CRSVFONISA-N 369.593 5.379 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(CO)=CC[C@@H]12 2356710519 GUXDHNIKRQCWIE-NTUKNIGUSA-N 368.561 5.651 30 1 FKEF COS(=O)(=O)c1ccc(C(C)=C(c2ccccc2)c2ccccc2)cc1 28097142 YYGOKGIDPADMQP-UHFFFAOYSA-N 364.466 5.001 30 1 FKEF CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(C#N)cc2)cc1O 38445616 NMNWDKDLWCEKGG-XFMQDLBBSA-N 373.496 6.375 30 1 FKEF CCCCCCCCCCCCCCCNC1CCN(CCN)CC1 42808040 BUGITICATHPZBS-UHFFFAOYSA-N 353.639 5.090 30 1 FKEF CCCCCCCCC/C=C\C/C=C\CCOC(=O)CCCCC(=O)O 43352792 LPKLZAMRXCUMDV-XVTLYKPTSA-N 366.542 6.208 30 1 FKEF O/N=C(\CSCCCc1ccccc1)c1cc(Cl)sc1Cl 95573926 JQPANDHKWBQJAN-QGOAFFKASA-N 360.331 5.599 30 1 FKEF COc1ccc(C2=C[C@@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N2)cc1 102070950 PYOVRDODRUFLBQ-IBGZPJMESA-N 359.469 5.066 30 1 FKEF C=CCc1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587111854 IGYWLSCJBRBTTQ-UHFFFAOYSA-N 353.347 5.525 30 1 FKEF N#Cc1ccc2c(C(=O)CC(c3ccccc3)c3ccccc3)coc2c1 587279126 NNWFKFMAPBNCKJ-UHFFFAOYSA-N 351.405 5.709 30 1 FKEF COc1ccc2cc([C@@H](C)c3nc4cc(C#N)cc(Cl)c4[nH]3)ccc2c1 587936814 ZQQIWNXDDVSDFN-GFCCVEGCSA-N 361.832 5.402 30 1 FKEF CCCCCCCCn1cc(CN2CCCCC2)c2cc(OC)ccc21 1772630418 ZSKOFBOVCPEDCN-UHFFFAOYSA-N 356.554 5.996 30 1 FKEF CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=C[C@H]2c1c[nH]c2ccccc12 53276283 FQNPAUIHCKHPDU-SFHVURJKSA-N 368.480 5.539 30 1 FKEF S=C(Nc1ccccc1)Nc1ccccc1/N=C/c1ccc(Cl)cc1 72181515 VQIOUOVPJMMFFE-HYARGMPZSA-N 365.889 5.900 30 1 FKEF O=C1C(c2ccccc2)=C(c2ccccc2)[C@H]2[C@H]3CC[C@@H](C3)[C@@]12N1CCCC1 169345521 BEMQJEKDEFLVOP-ROBHXDBVSA-N 369.508 5.061 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Cl)ccc1OCC1CC1 587898356 JKOOJSPLIYZZLT-UHFFFAOYSA-N 361.268 5.385 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)Nc2ccccc2)c1 587904073 ALBRDNKYJOCBHC-UHFFFAOYSA-N 361.828 5.001 30 1 FKEF O=C(C1=C(O)/C(=C/c2ccc(Br)cc2)CCC1)c1ccccc1 653865362 RFXVZAHZWUGKKR-DTQAZKPQSA-N 369.258 5.711 30 1 FKEF CCCSC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O 1857540516 KECSLKZJFNOOFU-VVXKOQDNSA-N 360.563 5.558 30 1 FKEF C=CCc1c(OCCCNCc2ccccc2)ccc2c1[nH]c1ccccc12 6716366 UPGXTVJBIFAVHT-UHFFFAOYSA-N 370.496 5.608 30 1 FKEF in-vitro CC[C@H](C)C(=O)C1=C(O)C2=C(O[C@@](C)(CCC=C(C)C)C=C2)C(C)(C)C1=O 40973982 ZNBKWHSUBCVVCC-WNSKOXEYSA-N 372.505 5.368 30 1 FKEF biogenic CCCCCCCCCC[C@H](OC(=O)c1cnc(Cl)cn1)C(C)(C)C 43366298 BMHUQVBZSRSZFG-KRWDZBQOSA-N 368.949 6.232 30 1 FKEF CCCCCCCCn1c2ccc(Cl)cc2c2ccc([C@H](C)CO)cc21 72111297 XHJTXNMFHJEGJU-QGZVFWFLSA-N 371.952 6.904 30 1 FKEF Cc1cccc(Oc2ccc(/C(=N/O)Nc3ccc(C(C)C)cc3)cn2)c1 72142424 XVJVVJKVRIXWKL-UHFFFAOYSA-N 361.445 5.554 30 1 FKEF CCCCCCCCC[C@@]1(O)CCC[C@@H](c2ccc(O)c(OC)c2)O1 85924083 YTTWJBFVZNJZHS-FPOVZHCZSA-N 350.499 5.472 30 1 FKEF biogenic CCCCCCCC/C=C\CCCCCCCC(=O)NCCCCN 167115346 DFNIEKRQMJEIIT-KTKRTIGZSA-N 352.607 5.879 30 1 FKEF Oc1ccc(C(=Nc2ccc(Br)cc2)c2ccc(O)cc2)cc1 169310727 RSPHEZNHWTUCKM-UHFFFAOYSA-N 368.230 5.029 30 1 FKEF C=C1C(=O)[C@@]23CC[C@H](C(=C)C)[C@@](C)(CCC(=O)OCCC)[C@@H]2CC[C@H]1C3 473128483 BWAPELNYIDHRSI-WOEVYDRPSA-N 358.522 5.254 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1CCC(=O)C(C)(C)C 587901596 JZSNVNCRBNFMES-UHFFFAOYSA-N 354.877 5.296 30 1 FKEF CC(C)COc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1C#N 587921945 DCRNDXRPPGFCQU-UHFFFAOYSA-N 370.424 5.662 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1cc(O)ccc1OC(C)=O 2356790164 FGBQMZDQNSRMSZ-HKDUHGGJSA-N 356.506 5.659 30 1 FKEF C=C1C[C@@](C)(c2cccc(Nc3nc4ccccc4c4occc34)c2)OC1=O 1663244 SZYYPLJCVPVSAB-QHCPKHFHSA-N 370.408 5.443 30 1 FKEF C=CC[C@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)=C(C)C1=O 26824894 RSBMBCFAQZUHFQ-MPQCXXONSA-N 354.490 5.584 30 1 FKEF Cc1cc(C#N)cc(C)c1Oc1ccc(N)c(Nc2ccc(C#N)cc2)c1 53312765 HZAKWENSSRWRLB-UHFFFAOYSA-N 354.413 5.165 30 1 FKEF CC(C)c1ccc(Oc2ncccc2/C(=N\O)NC2CCCCC2)cc1 72102321 RKZFMAHEPHRIIT-UHFFFAOYSA-N 353.466 5.055 30 1 FKEF CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1 169337858 DOOUHYGPEFAZDQ-UHFFFAOYSA-N 367.041 7.618 30 1 FKEF C#C[C@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 587367761 UMUJVHSLLMCHAL-HNNXBMFYSA-N 353.421 5.395 30 1 FKEF CCCc1c(O)ccc2c1O[C@@](CCCC#N)(c1ccc(C)cc1)CC2=O 587469892 PTKRBAIEGOTQBP-HSZRJFAPSA-N 363.457 5.208 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)ncn2-c1ccccc1 587907097 DEEJVBINDAVWBV-UHFFFAOYSA-N 358.828 5.087 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@H]1c1cccc(F)c1F 963183383 BMVHPLIGWSLEOK-FYYLOGMGSA-N 360.407 5.177 30 1 FKEF CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356455618 BCMOWDMOMYVIPH-HUDUBEJRSA-N 355.566 5.262 30 1 FKEF CCCCCC=CC[C@@H]1O[C@H]1[C@H](O)C=CCC=CCCCCCC(=O)O 2356795286 LTXOEHBYWKSNMA-URVUXULASA-N 364.526 5.179 30 1 FKEF Cc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3c4ccccc4ccn23)cc1 72136175 IPXMLKSSTFQIMY-UHFFFAOYSA-N 373.459 5.925 30 3 FKEF N#Cc1cnc2sc(-c3ccccc3)cc2c1Oc1ccc2[nH]ccc2c1 29046979 FRZMGXJMHJTTOR-UHFFFAOYSA-N 367.433 6.109 30 1 FKEF C=C[C@]12CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OCC)[C@@H]1CC[C@](C)(CN)C2 40379802 AGHNTPGOELVQQP-DPVJEZKXSA-N 361.570 5.094 30 1 FKEF COc1cc(/C=C2\CCC/C(=C\c3ccc(F)cc3)C2=O)cc(OC)c1 95594322 LMIYBACSMMOBLU-ODPUSEOTSA-N 352.405 5.063 30 1 FKEF CCCCCCCc1cc(-c2ccc(O)cc2)ccc1OCC(=O)OCC 103257593 RROQZBTVXWCUQX-UHFFFAOYSA-N 370.489 5.514 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cccc(F)c1 587626673 VXBVKBKWMAKHNF-UHFFFAOYSA-N 361.260 6.320 30 1 FKEF CCCOc1c(Cl)cc(C#Cc2cc(Cl)ccc2OC)cc1OC 587903552 JCSNRTQOAIDALD-UHFFFAOYSA-N 365.256 5.199 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(CNc2ccccc2)c1F 587916614 OHEPRIGZZSMMJE-UHFFFAOYSA-N 365.835 5.500 30 1 FKEF COC1=C(C)C2=C(C(=O)C1(C)C)[C@H](C(C)C)C[C@@]1(CC[C@@]3(C(C)C)C[C@H]31)O2 1857640033 GANQKRZEIAHQPL-JSMQRPJFSA-N 372.549 5.657 30 1 FKEF C=C(CNCC)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O 29225262 QTDZRBHQQYRERW-VQTJNVASSA-N 357.538 5.436 30 1 FKEF CC1=C(/C=C/C(=O)/C=C/c2cccc(C(F)(F)F)c2)C(C)(C)CC[C@H]1O 40379364 NGYSCCRFBHZQTN-WHFNZEEOSA-N 364.407 5.341 30 1 FKEF CCCCCCCCCCCCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 43411371 KYBIHICBUSWGEK-RUZDIDTESA-N 374.609 7.794 30 1 FKEF CC[C@H](C)CC[C@@H](C[C@H]1O[C@]1(C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191565 CKTDKWGLYNYMOS-AMGAHSPLSA-N 366.674 8.265 30 1 FKEF Cc1cccc(C)c1[C@H]1CC(=O)C(Sc2ccccc2Cl)=C(O)C1 299830625 XHKMRBZSSOBFGK-CQSZACIVSA-N 358.890 5.965 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cnc2ccc(Br)cc2c1 587910067 JAWUOJFIVICXKA-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF CC#CCCCCCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587957432 ZYEMYUJVVHLIJO-UHFFFAOYSA-N 360.505 5.301 30 1 FKEF C[C@@H]1C(=O)C=C[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356477247 YVJHMEVFLXRRHO-UEQHTJCLSA-N 369.593 5.331 30 1 FKEF C=CCCC=CC=C(C)C[C@H](C)C=CC=CC[C@@H]1C[C@H](O)[C@H](C)[C@](C)(O)O1 2356541484 UMSAZVWWNPZQBE-QWQGWLCTSA-N 374.565 5.478 30 1 FKEF CC(C)C[C@]1(c2ccccc2)CC(=O)C(SCc2ccccc2)=C(O)O1 13766416 UQLGEPNZUQQLPP-JOCHJYFZSA-N 368.498 5.578 30 1 FKEF CCCCCC#CCc1cc(OC)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27754582 VXCPTRRVQGVIOH-RTWAWAEBSA-N 366.545 6.432 30 1 FKEF CCCCCCCCCCCCCCCCCCCC/C=C/CC(C)=O 59211667 PFMLYZOKWAYIBG-GHVJWSGMSA-N 364.658 8.954 30 1 FKEF in-vitro Cc1ccc(/C=C2\CCC3=CC4(CC[C@]3(C)C2=O)SCCS4)cc1 71318196 AFKOCTGKVSLVCH-NXNYUAIASA-N 356.556 5.644 30 1 FKEF CC[C@H](C)CCCCCCCCCC/C(O)=C1\C(=O)[C@@H](C)N(C)C1=O 100090403 QDDWPSIPKTZOEU-POSVEHLBSA-N 351.531 5.175 30 1 FKEF in-vitro CC(C)=CCC[C@]1(C=O)[C@H]2C/C=C(\C)CC/C=C(\C)CC[C@H]1[C@@]1(CC2)CO1 238787066 CFTIGVMTUOJNLU-MPEFEAGKSA-N 370.577 6.570 30 1 FKEF C=C1CCC[C@]2(C)CCC(c3cn(-c4ccc(Cl)cc4)nn3)=CC[C@@]12C 299869036 TUMLIHACTWRYSP-YADHBBJMSA-N 367.924 6.241 30 1 FKEF CCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601240 RQQDZDKMTPOMBF-KNQAVFIVSA-N 354.446 5.473 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(C)c1Cl 587899786 IZXQVVGIYANEAQ-UHFFFAOYSA-N 370.073 5.473 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(C)sc2c(Cl)nc(C)nc12 587921348 WIRRHXOHLLRFSA-UHFFFAOYSA-N 363.269 5.023 30 1 FKEF N#Cc1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957282 JTUOSZOUDXWGER-UHFFFAOYSA-N 355.482 5.353 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)CC=C(C)CCC=C(CO)CC[C@@H]3[C@@H]12 2356575170 DCNGLOIOZYSSRI-VCDBXAJLSA-N 356.594 6.840 30 1 FKEF C=CCn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccccc2)n2ccnc2)c1 28472018 YPDXECRNRFNNQV-HSZRJFAPSA-N 373.887 5.829 30 1 FKEF CCCCCCCC[n+]1c(-c2cccc3ccccc23)cn2cccnc21 66103362 BXKLIMFHEIQENX-UHFFFAOYSA-N 358.509 5.803 30 1 FKEF C=C1CCC=C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 84670403 CALMDOIPRFJZMC-VDVRBEGSSA-N 366.633 8.424 30 1 FKEF C=C1[C@H]2CC[C@](C(=O)CCc3ccccc3)([C@@H]2OC)[C@]1(C)C1CCCCC1 85546583 RAUBJYHLZLPOKG-VGCGRUFVSA-N 366.545 5.756 30 1 FKEF biogenic,in-vitro CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c1 96905771 SITVQBISBMTIAC-OBGWFSINSA-N 369.508 6.092 30 1 FKEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 153152104 IXSGXUXGUNZCPE-NXVNVTKWSA-N 358.522 5.086 30 1 FKEF CCCCCCCCCC[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587490795 UWMFRRCSWIOZSF-QHCPKHFHSA-N 360.538 6.599 30 1 FKEF CCC[C@H](C)CC[C@@]1(C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188788 ASWXAJBDKWWACI-OPXMRZJTSA-N 360.545 6.241 30 1 FKEF CCCCCCCCCCCCCCCC=CC=CC=CC=CC(=O)O 2356310877 RZHACVKGHNMWOP-UHFFFAOYSA-N 360.582 7.777 30 1 FKEF CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@]35CC[C@]12C 2356531440 YYXCNUVITXXGGX-QOCBUHPSSA-N 369.593 5.523 30 1 FKEF COc1ccc(/N=C(\O)CCn2c(=S)oc3ccccc32)c(Cl)c1 34861259 ZDXZLJLDAQRREZ-UHFFFAOYSA-N 362.838 5.304 30 1 FKEF CCCCCCC[C@H](O)CCCCCCCCCC(=O)OCCCC 153462676 KGAJSPXMBOYURV-NRFANRHFSA-N 356.591 6.562 30 1 FKEF CCCC/N=C(/S)N=Nc1c(O)n(Cc2ccccc2)c2ccccc12 253989044 FZBZHBLLUMCJPL-UHFFFAOYSA-N 366.490 5.565 30 1 FKEF C=CCOc1ccc(OCC=C)n1CCCc1ccc(Cl)c(Cl)c1 587943090 LENUJXFXLVOYJW-UHFFFAOYSA-N 366.288 5.557 30 1 FKEF C=CCCCCC=CC#CCCCCCCCC[C@H]1C[C@H](CO)OC1=O 2356417131 RNDRAGJYHLXUOB-FCHUYYIVSA-N 360.538 5.337 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@@H]1OC(=O)C3=C(C)OC(C)(C)[C@@H]4CC[C@@]12[C@H]34 2356460316 QATHFSXCKTWEAB-UXIKUJOOSA-N 368.517 5.330 30 1 FKEF COc1c2ccc(OCCC(C)=CC(=O)C=C(C)C)cc2nc2occc12 2356735079 UVJNNOXCXHNVCM-UHFFFAOYSA-N 365.429 5.240 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc2scnc2cc1O 2356804908 VBGXCENGZWHWOD-NRVXSKMLSA-N 355.547 6.343 30 1 FKEF C=CCOc1cccc2c1-c1ccc3c(c1[C@H](CC=C)O2)C(C)=CC(C)(C)N3 13493599 SOCQBKFMZZQSJU-FQEVSTJZSA-N 373.496 6.535 30 1 FKEF C=C[C@](C)(CC(=O)/C=C(\C)CCC=C(C)C)CC(=O)c1c(C)cccc1O 14491248 RFISIENEXXTNTA-YLJZTEMXSA-N 368.517 6.118 30 1 FKEF C=C[C@]12CCC(c3ccccc3)=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 28950306 NUZBYJNMAHLREU-FRSCJGFNSA-N 360.541 6.170 30 1 FKEF Fc1ccc(-c2[nH]c3ccccc3c2/C=N/Nc2ccc(F)cc2F)cc1 653716336 JWOZZUAMSWFDBG-BRJLIKDPSA-N 365.358 5.698 30 1 FKEF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc(C#N)c2)(C2CCCC2)N1 962961383 WWZRGEHTASXPSO-NLFFAJNJSA-N 369.512 5.398 30 1 FKEF CCCCCCCCCCc1ccc(OC(=O)c2cccc(O)c2O)cc1 1857554816 CGEBMZCAAZPOIX-UHFFFAOYSA-N 370.489 6.000 30 1 FKEF C=C(C[C@H](O)CC(C)C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC[C@@H]3[C@](C)(O)CC[C@@H]12 2356773451 ZTTPPDZFKVLMFX-ZOECEDPBSA-N 374.609 5.890 30 1 FKEF C=CCOc1cccc2c1-c1ccc3c(c1[C@@H](CC=C)O2)C(C)=CC(C)(C)N3 13493598 SOCQBKFMZZQSJU-HXUWFJFHSA-N 373.496 6.535 30 1 FKEF O=C(C(=S)Nc1ccccc1)/C(=C\Nc1ccccc1)c1ccccc1 62241540 CSGPPLBBGHBURD-SILNSSARSA-N 358.466 5.148 30 1 FKEF CCCCCCCCCCc1cn(Cc2cc(OC)cc(OC)c2)nn1 84619676 VJDATVLLNRFQNT-UHFFFAOYSA-N 359.514 5.027 30 1 FKEF CCCCCCCCOc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)O)O2 96272109 DLJWNISVSXDVIC-JOCHJYFZSA-N 362.510 5.519 30 1 FKEF CC(C)=CCOc1cc(OC=C(C)C)cc(O)c1C(=O)/C=C/c1ccco1 103191084 GPLJMPCDJKJCMG-BQYQJAHWSA-N 368.429 5.529 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CC#N)c2c1 587639453 WOVLZXNYFVRSGS-ZDUSSCGKSA-N 367.290 6.177 30 1 FKEF CCC(C(=O)Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F 68574743 CQDHPRFDWNCLEQ-UHFFFAOYSA-N 367.211 5.165 30 1 FKEF biogenic COc1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccc(OC)cc2)cc1 103216337 BZDYQRSBPLUBTP-VOZFUJEASA-N 372.420 5.104 30 1 FKEF COc1ccc(C(=O)/C=C/c2cccc3c2ccn3C)c2c1C=CC(C)(C)O2 169311479 DKMOZTUKHLXGQF-CSKARUKUSA-N 373.452 5.267 30 1 FKEF CCCC/C=C/C(=O)CCCCCCc1cc(=O)c2ccccc2n1C 238782200 JWPLBVCOLJAXIC-NTEUORMPSA-N 353.506 5.347 30 1 FKEF CCc1oc2ccccc2c1-c1nc2cc(C#N)cc(Br)c2[nH]1 586904675 YECAAVCTHCUWIY-UHFFFAOYSA-N 366.218 5.173 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 587899888 IWFJZLAIHIBJIL-UHFFFAOYSA-N 370.920 6.049 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1-c1ccc(Cl)cc1 587901840 WDWFRHLZPVDDGH-UHFFFAOYSA-N 353.248 6.069 30 1 FKEF CC(=O)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356430129 HGUZQVROTZPVIT-WJPVIZSXSA-N 370.577 5.708 30 1 FKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)C(=O)OC 2356558562 DAAOHIJBEDBLLK-FQVVGKCUSA-N 374.521 5.002 30 1 FKEF CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1ccccc1O 40899441 YTIBYEHSAXMVNX-JOCHJYFZSA-N 369.464 5.746 30 1 FKEF Cc1cc(C)cc(CSc2nc(O)c(C#N)c(C3CCCCC3)n2)c1 84671191 NOUSFGCKMCRORF-UHFFFAOYSA-N 353.491 5.011 30 1 FKEF CCCCCCCCCCCCCC(=O)NC[C@H](O)c1cccc(O)c1 95573037 PBDKIZBCYRASHM-NRFANRHFSA-N 363.542 5.243 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3F)c(C#N)c2c1 587643039 RAZPTKZVAVXGTD-NSHDSACASA-N 371.253 6.122 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)C1=CC=C2c1cncc(N)c1 1772642481 WUUMBUBAKIYLDO-ZNEWLNCYSA-N 360.501 5.109 30 1 FKEF CCCCCCCC#Cc1ccccc1/C=N/[S@](=O)c1ccc(C)cc1 8019669 SCVDAEQMKWHSQK-WRBNUTISSA-N 365.542 5.849 30 3 FKEF C=C1C[C@H](CC)[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)C1 40723988 RQKFAFJIHIDHTD-LWZKNFMGSA-N 351.534 5.053 30 1 FKEF O/N=C(\NC1CCCCC1)c1cccnc1Oc1ccc2ccccc2c1 72181563 YKCLDVNGORUPCL-UHFFFAOYSA-N 361.445 5.085 30 1 FKEF C[C@H]1CC[C@@H](C)N1/C(=N\O)c1ccc(Oc2cccc3ccccc23)nc1 72186034 HUBSYVJMOHFWOV-BHBGMHPKSA-N 361.445 5.036 30 1 FKEF CC(C)c1cccc(Oc2cc(/C(=N/O)N3Cc4ccccc4C3)ccn2)c1 72186234 ZIYRSFHHRGZGAY-BZZOAKBMSA-N 373.456 5.149 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCCCCCCCCC 111348739 HGTCGIXAQAYYBS-ZPHPHTNESA-N 364.702 10.165 30 1 FKEF CCCCCC/C=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815011 JNGACIYSIKWOKT-FEGKSQMMSA-N 368.334 5.864 30 1 FKEF CCCCCCC=CCCCCCCCCc1cccc(O)c1C(=O)O 2356564514 RIXNONLMBFYYKR-UHFFFAOYSA-N 360.538 6.890 30 1 FKEF O=C(C=Cc1ccc2oc(-c3ccc(O)cc3)cc2c1)c1ccc(O)cc1O 2356777647 ASHHFRLYDYFCHN-UHFFFAOYSA-N 372.376 5.113 30 1 FKEF COc1cccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1 40876185 DVHIIOLZYZNPJG-UHFFFAOYSA-N 354.413 5.162 30 1 FKEF C=CCCCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365392 KHVYQBAIQRFRMZ-UHFFFAOYSA-N 371.480 6.946 30 1 FKEF CCCCCCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445678 MHXMGWXXSBWNJI-YKSBVNFPSA-N 364.485 5.699 30 1 FKEF N#C[C@H](c1nc(-c2ccc(Cl)cc2)cs1)N1CCc2ccccc2C1 1857597535 XQWYKOQCXCDPFA-LJQANCHMSA-N 365.889 5.086 30 1 FKEF C=C1C=C2[C@]3(C)[C@@H](CC=C[C@]34[C@@H]1C4(C)C)CC[C@@]21CC[C@H](CCCO)C1 2356457009 ZLDLTDUYENLDJB-PMWDSRNVSA-N 352.562 6.060 30 1 FKEF O=C1Nc2ccc(-c3ccccc3)cc2[C@](C#CC2CC2)(C(F)(F)F)O1 6582677 ZRUDDAIDEDUTCX-LJQANCHMSA-N 357.331 5.087 30 1 FKEF CCCCCCCCCCCCCCCCCCOc1c(C)cccc1C 44323403 ZNKYSUVGQNIQFD-UHFFFAOYSA-N 374.653 8.944 30 1 FKEF CO/N=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4cc[nH]c34)c(F)c21 71317755 KLDKGGLBNXZUKN-MFKUBSTISA-N 355.388 5.058 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C[C@H](c4ccccc4)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 253635434 LVJHBULIPHDPOH-DUTOMDFXSA-N 362.513 5.481 30 1 FKEF C=C1CC[C@@H]2[C@@](C)(C(=O)NC(C)C)CCC[C@@]2(C)[C@@H]1CCc1ccoc1 473153930 DFSDJUDAWWTQJI-VAPSRWTKSA-N 357.538 5.516 30 1 FKEF C[C@H](C#N)c1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587187448 HGBJQIDBPVFYBD-OAHLLOKOSA-N 351.409 5.088 30 1 FKEF N#CCc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587627854 BWCBGRQDUSTWRJ-UHFFFAOYSA-N 363.617 5.456 30 1 FKEF N#Cc1ccc2[nH]cc(-c3cn4cc(SC5CCCC5)ccc4n3)c2c1 45339533 ZXPYHIQAHMHDPI-UHFFFAOYSA-N 358.470 5.389 30 1 FKEF Cc1c/c(=N/N=C\c2ccccc2Cl)c2cc(C(F)(F)F)ccc2[nH]1 64608424 XDTJXECGVDCQFC-RMORIDSASA-N 363.770 5.083 30 1 FKEF CCCCCCCCCCCCCCCCCc1cc(O)c(C)c(O)c1 238767902 IPOJCHWCMAEPBJ-UHFFFAOYSA-N 362.598 7.820 30 1 FKEF O=C1C[C@H](c2c(F)cccc2F)CC(O)=C1Sc1ccccc1Cl 299826790 HZPCKAOVDZAVLW-SNVBAGLBSA-N 366.816 5.627 30 1 FKEF O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1cc(Cl)cc(Cl)c1 299835817 XMWBBRQBLFEARM-LBPRGKRZSA-N 365.281 6.002 30 1 FKEF CCCCCCC[C@H]1CCC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587483467 QJHRKKUVWVJJCX-SBUREZEXSA-N 358.522 6.209 30 1 FKEF COc1ccc(Cl)cc1C#Cc1csc2c(Cl)nc(Cl)nc12 587920492 IOTNYJYWHFNEOM-UHFFFAOYSA-N 369.660 5.060 30 1 FKEF CC1(C)[C@H](CC#N)C[C@@H]1[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962704471 HCOVZOPDMUROEX-MFMILTCTSA-N 354.519 5.191 30 1 FKEF CCCCCCC[C@]1(CC(C)C)NCCc2c(Cl)cc(Cl)cc21 963108260 NGZUQDPRIOVKCI-HXUWFJFHSA-N 356.381 6.741 30 1 FKEF C[C@H]1C[C@H]2C3=CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1772580184 KBNYKBIYBRZPFU-QAQHMLITSA-N 359.513 5.773 30 1 FKEF C=CCCC=CC#CCCCCCCCCCN(C)CCN(C)C(C)=O 2356460878 NHFOKDLNMLHUAR-UHFFFAOYSA-N 360.586 5.043 30 1 FKEF CCCCCC=CC[C@@H]1O[C@H]1[C@@H](O)C=CCC=CCCCCCC(=O)O 2356795284 LTXOEHBYWKSNMA-ONTIZHBOSA-N 364.526 5.179 30 1 FKEF CCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12 95595385 ZXKCYZJGHXORKJ-UHFFFAOYSA-N 371.613 5.823 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N1CCC[N+](C)(C)CC1 95596932 KNAWDHVXZNFBNY-UHFFFAOYSA-N 367.642 5.776 30 1 FKEF CCCCCCCCC[C@H](O)C#CC#C[C@H](O)CCCCCCCCC 141830583 WJIOWBUXVUOPKR-PSWAGMNNSA-N 362.598 5.996 30 1 FKEF C[C@@H](C=O)CCCCC[C@@H](CCCCC=CC(=O)O)Cc1ccc(O)cc1 2356778756 DEJPFGMDFBDYBL-WOJBJXKFSA-N 374.521 5.538 30 1 FKEF CCCCCCCCCCCCNC(=O)CC[C@H](C)OC(=O)OCC 43523926 DEXSLTBOCHOQAX-SFHVURJKSA-N 357.535 5.365 30 1 FKEF CCCCCCCC/C=C/c1cc(=O)c2ccccc2n1CCCCC 71281864 LFHQLKBGBIENHI-FOWTUZBSSA-N 353.550 6.956 30 1 FKEF COc1ccc2c(c1)/C(=N\Nc1ccccc1)c1c-2n(C)c2ccccc12 95588465 HBVHBYBXNKEOOK-YYDJUVGSSA-N 353.425 5.032 30 1 FKEF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3C#N)o1)CC2=O 587466655 AUOXWHRULQHHHE-QFIPXVFZSA-N 373.408 5.183 30 1 FKEF Cc1ccc(C)c([C@@]2(CC#N)NCCc3cccc(-c4ccccc4)c32)c1 962666587 KLVQLYJDEYKOBQ-RUZDIDTESA-N 352.481 5.273 30 1 FKEF Cc1nc2ccccc2c(-c2ccc(C#N)cc2)c1[C@@H](OC(C)(C)C)C(=O)O 1857648801 UZTANZHBBDPZDG-OAQYLSRUSA-N 374.440 5.023 30 1 FKEF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NC3CCCCC3)CC[C@@H]12 2356731032 UBVDQPPYMIRBTH-DKYIUWICSA-N 355.610 7.193 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34CC[C@@H]5CC[C@H](CC3)[C@@]5(C)N4)=CC(C)=C2C1 2356777229 PQFMZJXBQQHCND-WKCYRJLMSA-N 365.605 6.716 30 1 FKEF C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1c1c(O)cc(-c2cc3ccccc3o2)cc1O 14584428 UPLNMKNMLLBKKI-MNEFBYGVSA-N 362.469 6.607 30 1 FKEF biogenic CCCCCCCCCCCCCCC(=O)C[C@@H]1CC[C@@H](CCCC)O1 85879047 FUJUJVSNBVLYTQ-RPWUZVMVSA-N 366.630 7.775 30 1 FKEF biogenic C=CC[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 101505069 XWHJREUWFMMSHD-WLIHWCKTSA-N 371.548 5.460 30 1 FKEF C[C@@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]3c2cccnc2)[C@@]2(C)C=CC(=O)C=C12 141098341 AGZOZNZGJNVQON-PDYASAKNSA-N 361.529 5.719 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2cc(Br)c(C)c(C)c2[nH]1 587066998 KLUDNYCABDKHTR-UHFFFAOYSA-N 373.681 5.304 30 1 FKEF N#CC[C@@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530800 HRPRWPXSNMYCRH-IBGZPJMESA-N 357.862 5.055 30 1 FKEF CCCCCCCC=Cc1cc(-c2ccc3cc(CO)ccc3c2)ccc1O 1857539897 YQYWQLHCYOAMQP-UHFFFAOYSA-N 374.524 7.078 30 1 FKEF C=C(C)[C@@H]1CC[C@](C)(OC(=O)C=Cc2ccccc2)[C@H]2CC=C(C)[C@H]2C1 2356413256 UIUPDHGXUGRZTO-SVPADUAOSA-N 350.502 5.960 30 1 FKEF CCCCCCCCCCCC=CC=CCCCC(=O)OC[C@@H](O)CO 2356464252 CEPAYHKRLMYIBN-NRFANRHFSA-N 368.558 5.086 30 1 FKEF CCCCCCCCN1c2ccccc2C(=O)N(O)[C@H]1c1ccc(O)cc1 2382226134 LDULXZNZSXBFHH-NRFANRHFSA-N 368.477 5.103 30 1 FKEF C[C@@]1(Cc2ccccc2C#N)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 61908513 MPRUXXKNLDWLCM-QHCPKHFHSA-N 372.855 5.331 30 3 FKEF COc1ccc2c(c1)CCC/C2=N\N(Cc1ccccc1)Cc1ccccc1 26279527 WRKGHWGHBGUDNA-OCEACIFDSA-N 370.496 5.438 30 1 FKEF CCCCCCCCCCOC(=O)[C@H]1CN(CC)CC=C1c1ccccc1 34802096 RNRYJWQFMOEPCM-QHCPKHFHSA-N 371.565 5.706 30 1 FKEF CCS/C(=N\C1CCCCC1)N(Cc1ccccc1)Cc1ccccc1 82052452 SVPZRFUGYLJFOK-VHXPQNKSSA-N 366.574 6.131 30 1 FKEF CCCCCCCCCCCCc1cn(CCc2ccccc2OC)nn1 84616411 LZMQBDGIUNIFHO-UHFFFAOYSA-N 371.569 5.993 30 1 FKEF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C#N)ccc4[nH]3)c21 587032247 ZZIDXPMSCLGHAR-CYBMUJFWSA-N 358.470 5.394 30 1 FKEF Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C)o1 587625390 HFDOPZSIFJUMTL-UHFFFAOYSA-N 372.268 5.954 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(OCc2ccccc2)ccc1F 587916888 XKCAWJPSUIAXPK-UHFFFAOYSA-N 366.819 5.467 30 1 FKEF CCCCCCCC/C=C/CCCCCCCCOC[C@@H]1CCCN1 1857538046 CQQZHFIIZCZLAY-ZUTVHTERSA-N 351.619 6.793 30 1 FKEF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1cccc(O)c1 1911577248 ROOGPADGUWHQNJ-CCEZHUSRSA-N 365.432 5.812 30 1 FKEF CCCCCCCC(C)=CC(=O)O[C@@H](C)CCCCC=C(C)CC(=O)O 2356443272 GUGWWNGSTOHWGD-FQEVSTJZSA-N 366.542 6.206 30 1 FKEF CCCCCCCCC=CCCCCCC[C@@H](C(=O)OC)[C@@H](O)C(C)=O 2356494090 RKVXHJRCUIJAHS-RTWAWAEBSA-N 368.558 5.373 30 1 FKEF CCCCCCC=CC[C@H](CCCCC)C[C@@H](CCCC(=O)O)CNC 2356779226 OSLCIRVTDLVRRQ-FCHUYYIVSA-N 367.618 6.580 30 1 FKEF CC(=Nc1cccc(C)c1)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356817926 DOVGSTDZBOCOSN-UHFFFAOYSA-N 368.436 5.145 30 1 FKEF CCCCCCCCCCCCOc1ccc(/C=C(\C)C(=O)O)cc1C 43411467 SVTKBTXRIMEJOZ-CZIZESTLSA-N 360.538 6.783 30 1 FKEF CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@]12C=C[C@H]4N3C[C@]31CCC2 85548108 ILVMEIAAPCXAMU-NACSKPQESA-N 373.584 5.870 30 1 FKEF biogenic,in-vitro COc1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccc(OC)cc2)cc1 103216339 BZDYQRSBPLUBTP-INJUALFYSA-N 372.420 5.104 30 1 FKEF C/C(=N\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccnc1 211381395 QLMFPZCQKDUODJ-PCLIKHOPSA-N 370.481 5.708 30 1 FKEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@H](NC(=O)NCCc3ccccc3)[C@@H]12 2356609032 YPAHERAMILUYQP-PIATZUFCSA-N 368.565 5.326 30 1 FKEF N#Cc1cnc2sc(-c3ccccc3)cc2c1Nc1ccc2cc[nH]c2c1 29046982 HGHWKCRPQMRPOY-UHFFFAOYSA-N 366.449 6.060 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)ccc1O 40410334 WNSIKCDGFAFGBP-DQOBCGMHSA-N 356.506 5.520 30 1 FKEF biogenic C=C(CCC=C(C)C)[C@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(\C)C[C@@H]1OC 238742298 FGDIMNAMJBFDNJ-RTYMIUGPSA-N 370.621 8.113 30 1 FKEF CN1/C(=C/C=Nc2ccccc2)N(c2ccccc2)c2ccc(Cl)cc21 377814233 WAIBPQZXBUNNLQ-DJGKFNJPSA-N 359.860 6.172 30 1 FKEF N#Cc1cc(Cl)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587032268 HEPNIVCVZTUETJ-UHFFFAOYSA-N 364.861 5.096 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](O)CC1=CC(=O)OC1 2356797533 OAYMEFORXFABDF-OAQYLSRUSA-N 352.559 6.092 30 1 FKEF COc1cc(N/C(=C\C(=O)c2ccccc2)c2ccccc2)ccc1Cl 199260761 LTJAXRZCKKQAIZ-HKWRFOASSA-N 363.844 5.685 30 3 FKEF CC(C)(C)c1cc(/C(CSc2ccccc2)=N/O)cc(C(C)(C)C)c1 95579864 KPEPBIQCQOZOFR-BSYVCWPDSA-N 355.547 6.252 30 1 FKEF CCCCCCCCCCCCCC(=O)O[C@H]1CCC(=O)c2ccccc21 103188199 UPAGMLGXJUDQSD-QHCPKHFHSA-N 372.549 6.949 30 1 FKEF CCCCCCCCCCCCCC[C@@H](C)CCCCCCCCC 138615079 GFQCVCKEFHXROW-VWLOTQADSA-N 352.691 9.854 30 1 FKEF FC(F)(F)Oc1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1 586901045 HYWJAOUNUWANBX-UHFFFAOYSA-N 368.314 5.121 30 1 FKEF CCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602358 JMDZKWNUFMDHSS-QUCCMNQESA-N 354.446 5.473 30 1 FKEF CC[C@H](C)c1ccc2[nH]c([C@H]3CCN(C(=O)OC(C)(C)C)C3)c(C#N)c2c1 587644087 ZPVRPYPSMWHJKE-HOCLYGCPSA-N 367.493 5.277 30 1 FKEF C=CCC(C)(C)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587954383 RRISAOVXBBQPRM-UHFFFAOYSA-N 374.444 5.142 30 1 FKEF N#Cc1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587965350 RGXHIUIFYPUWGX-UHFFFAOYSA-N 368.278 5.037 30 1 FKEF CCCC/C(CC)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12 653780408 UFKLWFABFUUYPM-AECZSIAKSA-N 367.518 5.227 30 1 FKEF CCCCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C(=O)O 40164491 RZHACVKGHNMWOP-ZWZRQGCWSA-N 360.582 7.777 30 1 FKEF in-vivo CCCCCCCCCCCCCCSC(=S)N[C@H]1CCOC1=O 96929103 LHRKTZPRPLXWKF-KRWDZBQOSA-N 373.628 5.611 30 1 FKEF Cc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1F 587092354 DYCFNYHVMYKTTA-UHFFFAOYSA-N 362.248 5.715 30 1 FKEF Cc1cccc([C@@]2(C[C@H](C)C#N)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508413 VTPACCUNZUPNNG-BXKMTCNYSA-N 359.469 5.284 30 1 FKEF C=CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601516 GOWLDZNLNDBGTH-ZJSXRUAMSA-N 372.420 5.216 30 1 FKEF C=C1CC([C@]2(C3CCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587819369 MCHREGRZLPHCLU-BUXKBTBVSA-N 364.302 5.084 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1Cl 587900408 LSPDUEXBARYZTR-UHFFFAOYSA-N 356.046 5.164 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(F)cc1Br 587915612 QHRJLGGKPPNNMY-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF C=C1C[C@H](C)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O 13755709 LMHUNJRFYIMKDB-SMDDNHRTSA-N 353.300 5.334 30 1 FKEF C=C[C@@H](C)[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29415353 ROQNRNMUXQFMDI-FATZIPQQSA-N 361.485 6.225 30 1 FKEF CCCC/C(CC)=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 96928883 WAOPUJFOFZFMJY-UDWIEESQSA-N 356.322 6.485 30 1 FKEF CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccc(O)cc3)C2=C(O)C1 100634367 MMSAGQUOEJMXLN-LJQANCHMSA-N 371.436 5.170 30 1 FKEF C=C1/C=C/C(C)(C)C[C@@H](OC(=O)c2ccc(OC)c(O)c2)C/C(C)=C/CC1 238781010 QIUJPXVRSMXFEL-LHOFCLFPSA-N 370.489 5.585 30 1 FKEF C=C(/C=C/C=C\C=C(\C)C=C(C)C)Cc1ccc(C(=O)O)c(C)c1C(=O)O 238787492 YEQPHDAWCIUOAW-OCQYZDTFSA-N 366.457 5.515 30 1 FKEF C=C(C(=O)O)[C@H]1CC[C@H](CCC=C(C)CCC=C(C)CCC=C(C)C)CO1 2356587353 IFDPWHHQIPWEFF-XZOQPEGZSA-N 374.565 6.622 30 1 FKEF C#C[C@H](CCCCCCC(=O)O)[C@H](C#C)C[C@@H]1O[C@@H]1CCCCCCCC 43366128 FAIJXZMKXGTJDJ-ODAXIHTASA-N 374.565 5.819 30 1 FKEF CN1[C@H]2CC[C@@H]1CC(=NO[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 49045439 RULAVIRWRLNNKW-HBMCJLEFSA-N 354.881 5.059 30 1 FKEF CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)OC 95558206 KYAPUQUQNSWRIX-UHFFFAOYSA-N 362.554 6.813 30 1 FKEF biogenic Fc1cc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)cc(C(F)(F)F)c1 473119876 NAUYYEJFWTWRAP-UHFFFAOYSA-N 374.259 5.920 30 1 FKEF C[C@@H]1C[C@H]2C3=CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1772580183 KBNYKBIYBRZPFU-JRABLQPUSA-N 359.513 5.773 30 1 FKEF COC1=CC(=C2Nc3ccc4ccccc4c3C3=C2CCC3)C=C(OC)C1=O 100537825 UDRWLIVLRWKZHZ-UHFFFAOYSA-N 371.436 5.100 30 3 FKEF CCCCCCCCCCCCCCCC[n+]1ccc2ccccc2c1 105055523 CGUASTNBJVCWJR-UHFFFAOYSA-N 354.602 7.609 30 1 FKEF CC(=O)O[C@@]1(C)CCC/C(C)=C/CC[C@]2(C)O[C@H]2C(=O)C(=C(C)C)CC1 238785007 QRIAHPSWAQTBHB-DPIAMWBUSA-N 362.510 5.062 30 1 FKEF N#Cc1cc(Br)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587969446 SUPDBEGFWWJTCD-CMDGGOBGSA-N 374.241 5.521 30 1 FKEF COc1c2ccc(OCC/C(C)=C/C(=O)C=C(C)C)cc2nc2occc12 61948714 UVJNNOXCXHNVCM-NTCAYCPXSA-N 365.429 5.240 30 3 FKEF C=C(C)[C@H]1C[C@@H](c2c(O)cc(O)c(C(=O)c3ccccc3)c2O)C(C)(C)C1 14635947 BJMZANGURMWXHW-HOTGVXAUSA-N 366.457 5.130 30 1 FKEF biogenic C=CCNCCCCCCCCc1ccc(CCCCNCC=C)s1 28652567 JWJVEEWFNMZZMR-UHFFFAOYSA-N 362.627 5.505 30 1 FKEF CCCCCCCNc1ccc(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 64559435 INIYPOPUKFVZSV-FGZHOGPDSA-N 369.936 6.709 30 1 FKEF O=C1/C(=C/c2cccc(Cl)c2)CCC/C1=C\c1cccc([N+](=O)[O-])c1 73293889 RXYRFUWOQOFWOB-OTYYAQKOSA-N 353.805 5.468 30 1 FKEF CCCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C 85913339 UXBFKHXOHNPCCI-UHFFFAOYSA-N 355.566 6.782 30 1 FKEF biogenic O=C1CC(c2cccc(Cl)c2)=Nc2ccc(C#Cc3ccccc3)cc2N1 101155446 KPUGPRGWUXMDLJ-UHFFFAOYSA-N 370.839 5.203 30 1 FKEF O=C(/C=C/c1ccc2oc(-c3ccc(O)cc3)cc2c1)c1cc(O)cc(O)c1 238772948 XPLCPHYZASXFKS-LREOWRDNSA-N 372.376 5.113 30 1 FKEF Cc1ccc(/C=C/C(=O)OC(=NC2CCCCC2)NC2CCCCC2)cc1 1911583385 NPRWMUAGSCKVIH-WUKNDPDISA-N 368.521 5.162 30 1 FKEF CC(=O)OC1=C(C)[C@H](C=Cc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]2C1=O 2356461957 ZZMOWNDJRNFDCJ-UCNVEGJOSA-N 356.462 5.161 30 1 FKEF N#Cc1ccc(-c2nc3ccc(Cl)cn3c2Cc2cccc(F)c2)cc1 95600604 ARZZWPCYTVAFSS-UHFFFAOYSA-N 361.807 5.256 30 3 FKEF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@H](CC(=O)/C=C/OC)O1 7992428 VRFMBSXPRBPZNN-CFGKVWFZSA-N 374.477 5.206 30 1 FKEF CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 73196077 SVSDEDUBFFMJKW-HSZRJFAPSA-N 370.448 5.514 30 1 FKEF O=C1C[C@H](c2ccccc2Cl)CC(O)=C1Sc1ccccc1Cl 299829956 UCSUKGJYCVAUPJ-LLVKDONJSA-N 365.281 6.002 30 1 FKEF CCCCCC/C=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821171 STQZZHPWFUJRCB-RDCDGVDZSA-N 354.307 5.690 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](O)c2ccc(C)cc2)cc1 587905843 KLFUONJWCBSKBC-QHCPKHFHSA-N 362.856 5.139 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 587967112 LDYMCSJYVYEWKO-HJWRWDBZSA-N 369.262 5.147 30 1 FKEF CCC[C@H](C)CC[C@@]1(C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963188781 ASWXAJBDKWWACI-AMDXRBSFSA-N 360.545 6.241 30 1 FKEF Cc1cc(C)c(Nc2cnc([N+](=O)[O-])c(Nc3ccc(C#N)cc3)c2)c(C)c1 1857639920 ARARBJRSGWUDFS-UHFFFAOYSA-N 373.416 5.274 30 1 FKEF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2CC[C@](C)(O)C[C@@H]2[C@@H]2O[C@@]21C 2356395644 VKXPJJBZNMZKHN-BZAWAQRDSA-N 372.549 5.005 30 1 FKEF CCCCCCCCCC(C)=CC(=O)NCCc1c[nH]c2ccccc12 2356744523 OJKZELGKDKBJTP-UHFFFAOYSA-N 354.538 5.914 30 1 FKEF Cc1cc2c(cc1/C(=N\O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 13794324 ZDSBRLPUWAHPHO-GFMRDNFCSA-N 365.473 5.269 30 1 FKEF Oc1ccccc1/C=N/c1ccc(/N=C/c2ccccc2O)c2ccccc12 28604420 HQTFZUPCMKTIDF-RYQLWAFASA-N 366.420 5.752 30 1 FKEF C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C)c(o2)[C@H]1OCC 39160559 UJFMLTLCPYIUEE-KRQVXIAISA-N 356.462 5.163 30 1 FKEF biogenic CC[C@@H](C)C(=O)C1=C(O)C2=C(O[C@@](C)(CCC=C(C)C)C=C2)C(C)(C)C1=O 40973980 ZNBKWHSUBCVVCC-CMJOXMDJSA-N 372.505 5.368 30 1 FKEF biogenic CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](CO)C(C)C 95584801 FCFWNUVBSVWFHR-LEQVUBRHSA-N 367.618 6.157 30 1 FKEF CCCCCCCCCCCCCC[C@H](C)CCCCCCCCC 138615219 GFQCVCKEFHXROW-RUZDIDTESA-N 352.691 9.854 30 1 FKEF COc1c2ccc(OCC/C(C)=C\C(=O)C=C(C)C)cc2nc2occc12 207998672 UVJNNOXCXHNVCM-QINSGFPZSA-N 365.429 5.240 30 1 FKEF CCCCCCCOc1nncn1-c1ccc(OCCCCCC)cc1 653688514 GBDUMLQOMBPMGI-UHFFFAOYSA-N 359.514 5.576 30 1 FKEF C[C@@]1(c2ccc(S)cc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963192215 QJXDPUKSDOLOIC-BJKOFHAPSA-N 370.521 5.362 30 1 FKEF CC1(C)C(=O)C(=Cc2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@](C)(CC[C@@H]21)C3 2356744745 GTBFQOGSRWBGDY-JQORZIESSA-N 374.568 6.848 30 1 FKEF C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(C#N)cc32)CCN1C 2382220773 LLPALJXSNNSHCW-ZDUSSCGKSA-N 362.864 5.040 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3ccc4c5c(cccc35)CC4)C2)cc1 36389371 NEQJFBZUYBLOIR-LJQANCHMSA-N 354.449 5.477 30 3 FKEF Cc1c(Cl)cccc1Nc1c(C#N)c(Cl)c(C#N)c(Cl)c1C#N 3607228 LIEQSVXPMNTMOA-UHFFFAOYSA-N 361.619 5.314 30 1 FKEF C[C@@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 43064449 YNCUBWWVYADNTK-MVOJYCJUSA-N 370.496 5.671 30 1 FKEF COc1ccc(/C=N/Nc2ccnc3cc(F)c(C)cc23)c2ccccc12 45302370 JSPHZLYBRIGZSL-DHRITJCHSA-N 359.404 5.290 30 1 FKEF CCCCCCCCNc1ncc(-c2cccc(Br)c2)[nH]1 72112082 DMZNAUKNSLBGKK-UHFFFAOYSA-N 350.304 5.612 30 1 FKEF CCCCCCCCCNC(=O)c1ccc2c(c1)Nc1ccccc1C2 169331771 GRYNEQBXZBSXTQ-UHFFFAOYSA-N 350.506 5.815 30 1 FKEF CC(C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257414353 FFRFYWBYDZTBDQ-DXJOMBAQSA-N 368.605 6.983 30 1 FKEF endogenous,in-man CCCCCCCCCCCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443635 BGBPQZLPUCOZNO-LEWJYISDSA-N 372.549 6.512 30 1 FKEF CCCCCCC[C@H](C[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)SC 587448948 NSXJREQDONZULU-SQNIBIBYSA-N 362.535 5.293 30 1 FKEF CCCCCCC/C=C\C[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587525965 ULUGQHVEZCADLO-RPIOBPNHSA-N 368.561 6.986 30 1 FKEF C=C1C[C@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@H]1[C@@H]23 2356360683 LOMCSNMWUADCBX-SOBLXFMHSA-N 358.566 5.495 30 1 FKEF CC(=O)OC[C@@H]1O[C@]1(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356523907 JKDTUPIBGMGXAM-XMGTWHOFSA-N 354.575 6.146 30 1 FKEF CCCCCCCCCCCC=CCCC=CC=CC(=O)N[C@H](C)CC 2356599402 XFWSQAFQPXGKME-HSZRJFAPSA-N 361.614 7.271 30 1 FKEF CCCCCCCCCCCCC(=O)O[C@@H]1CCC=CCOC(=O)CC1 2356779682 WHOHJKFQKCSVPQ-HXUWFJFHSA-N 366.542 5.883 30 1 FKEF CCCCCCCCCCCCNC(=O)Oc1ccc(C(=O)OC)cc1 43060590 ZGXRWVWYCPTGIH-UHFFFAOYSA-N 363.498 5.483 30 1 FKEF Cc1nc(Nc2cccc(Cl)c2)sc1C(=O)/C=C/c1ccccc1 64526752 HROIOSGLCQMAJW-ZHACJKMWSA-N 354.862 5.745 30 1 FKEF C[C@H]1C[C@H](OC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC[C@H]1C 68574291 XVLYNZJKMFSBPX-GJMOJQLCSA-N 374.243 5.028 30 1 FKEF biogenic CCCCCCCCCCCCCCC[C@H](O)C[C@@H](O)CCCCC 86001428 UTABNNBRPUDDNU-GOTSBHOMSA-N 356.635 7.160 30 1 FKEF endogenous,in-man CCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)C)cc1 104006394 IEFCNVCPKSECAE-VZFXBBDVSA-N 353.462 5.181 30 1 FKEF C#C[C@@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587367462 RFEFQGVZNANDBG-OAHLLOKOSA-N 353.421 5.710 30 1 FKEF CCCCCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818574 ISBYRLCIROSQQU-AUUYWEPGSA-N 370.350 6.304 30 1 FKEF COc1ccc(Cl)cc1C#Cc1nc(-c2ccccc2)n2ccccc12 587910595 JHIVXTQIOUBXPG-UHFFFAOYSA-N 358.828 5.063 30 1 FKEF CCOc1cc(C#Cc2cc(Cl)ccc2OC)ccc1C(F)(F)F 587913694 CPEILFHDAUYBEI-UHFFFAOYSA-N 354.755 5.166 30 1 FKEF CCCCCCCSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 43450451 KJSNNKBWTXQJLG-GEVHZVAYSA-N 368.583 5.685 30 1 FKEF CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O 58563813 HSTMNVBDDNVTBN-UHFFFAOYSA-N 364.526 6.430 30 1 FKEF biogenic C=C1C(C)=C(C(=O)c2ccccc2)C(=O)N1c1c(C(C)C)cccc1C(C)C 64274790 YNWYOVSDJWUNEN-UHFFFAOYSA-N 373.496 5.993 30 1 FKEF N#Cc1ccccc1CN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21 95589594 PGMOCVFOLMWSII-QFIPXVFZSA-N 370.477 5.329 30 1 FKEF CCCCCCCCCCCCC[C@H](C)CCCCCCCCCCC 138471944 WVLZDJILKAOTQJ-AREMUKBSSA-N 366.718 10.245 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@H](c1ccccc1)c1ccccc1Cl)C2 254134674 XHZOJUVBFLNUDN-BBTUJRGHSA-N 354.881 5.059 30 1 FKEF CCCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12 1857573489 BIHJIEXMQHTXCC-UHFFFAOYSA-N 357.885 5.095 30 1 FKEF CCCCCCCCCCCOc1ccc(-c2c(C)[nH]c(=O)n2C)cc1 43617496 MMLWGUXACKKFKP-UHFFFAOYSA-N 358.526 5.598 30 1 FKEF C=CCC[C@H](C)C(=O)[C@@H](C)C[C@@H](C)NC(=O)CCC/C(=C/Cl)CCC 49033686 MTSIKQYOKFAJKC-STBCELAHSA-N 369.977 5.782 30 1 FKEF C=C1CC[C@H]2C(C)(C)C[C@@H](OC(C)=O)C[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 85994253 FKIXQVAQMGXHKZ-FYWNELHYSA-N 364.526 5.218 30 1 FKEF C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 85994347 NJMFZDTYMRZXER-PJMHPDBPSA-N 364.526 5.219 30 1 FKEF N#C[C@H]1C(=N)OC2=C(CC/C2=C\c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 169688678 TWHRUCIPCMHNDR-ZAOQVKTNSA-N 362.379 5.327 30 1 FKEF C=CCc1cccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587225602 MKEJAXLIWRFOIA-SFHVURJKSA-N 355.482 5.047 30 1 FKEF CCCCCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812140 IKGASZIOMLZROO-ACJLOTCBSA-N 356.323 5.698 30 1 FKEF CCCCCCCCCCCC/C=C/c1c(C)cc(C)c2[n+]1C[C@H](C)C=C2 1911578896 YVDOFDBWEXOBCV-NBRGKURFSA-N 368.629 7.578 30 1 FKEF O=C(Nc1ccccc1)Nc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 28521539 SMHHYAIAGGAVPD-OVCLIPMQSA-N 360.388 5.366 30 1 FKEF CCCCCCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC 70455593 NIELKFBAURATTF-HXUWFJFHSA-N 364.526 5.448 30 1 FKEF biogenic,in-vitro Cc1ccc(-c2csc(NC(=O)CCCCCCS)n2)cc1F 169350157 SFUUBNUWRJHSLA-UHFFFAOYSA-N 352.500 5.076 30 1 FKEF C#Cc1cccc(-c2nc3ccc(C(F)(F)F)cn3c2NC(C)(C)C)c1 219534447 QHVGCPFDRYRMLN-UHFFFAOYSA-N 357.379 5.212 30 1 FKEF CCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 587273600 MNVAFPNTEFTJLJ-UHFFFAOYSA-N 368.271 5.016 30 1 FKEF C=C(C)[C@@H]1CC=C(C)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817001 HEHBXGNJAFJBKB-PJIJBLCYSA-N 364.302 5.250 30 1 FKEF CCCCCCC=CC[C@@H](CCC(C)C)C[C@@H](CCCC(=O)O)CNC 2356353534 PYWWKUDSWNSNSL-FCHUYYIVSA-N 367.618 6.436 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@@]2(C)C(=CC)C(=O)C[C@]2(C)[C@@H]4CC[C@@H]13 2356687952 HDJAPAUXOZLNPO-JQQKJWEXSA-N 367.577 5.395 30 1 FKEF C=C1C[C@]2(CCC3(CCCC3)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@H]1[C@@H]23 2356768557 RLZPIHCBWILNHW-YWNSLQLTSA-N 354.578 6.667 30 1 FKEF CCCCCCCCCCCCCCCC(=O)c1c(O)oc(C)c1O 169717084 CSJFWMQFHHPXCJ-UHFFFAOYSA-N 352.515 6.663 30 1 FKEF CCCc1c(O)ccc2c1O[C@@](CCC#N)(c1ccc(Cl)cc1)CC2=O 587463730 XUHUDBYMPDPLOK-OAQYLSRUSA-N 369.848 5.163 30 1 FKEF Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C#N)c(C)n1CC(F)(F)F 587629875 MAPKGDRWVPBUON-UHFFFAOYSA-N 369.749 5.480 30 1 FKEF N#Cc1ccc(Oc2c(-c3ccccc3C#N)sc3ccccc23)cc1 45392123 KYKNQTSCTKYXGW-UHFFFAOYSA-N 352.418 6.104 30 1 FKEF CCCCCCCCc1ccc(-c2ccc(-n3ccccc3=O)nc2)cc1 73199665 LLAYXBRNZFASRL-UHFFFAOYSA-N 360.501 5.803 30 1 FKEF C(=N/Nc1nc(-c2ccc3ccccc3c2)cs1)\c1ccc2c(c1)OCO2 169330862 CVLYIRLZWDZLKL-SSDVNMTOSA-N 373.437 5.138 30 1 FKEF N#Cc1ccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)cc1 587921718 UKDOLUMJYVHUTL-UHFFFAOYSA-N 352.462 5.862 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)CC=C(C)CCC=C(C(=O)O)CC[C@H]3[C@H]12 2356640489 DTOMDHDCRRDBTA-PQFNGOATSA-N 370.577 6.933 30 1 FKEF C=CC/C=C\C/C=C\CCCCCCCc1c(O)c(O)cc(OC)c1O 85599316 YCVAMKLKWGHZGC-AFJQJTPPSA-N 360.494 5.774 30 1 FKEF in-vitro CCn1c2ccccc2c2cc(/N=C3/C(=O)Nc4ccc(Cl)cc43)ccc21 299841368 ZLNMYFPGDDIMIZ-UHFFFAOYSA-N 373.843 5.541 30 1 FKEF C[C@H](C=NO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@@]21C 2356304496 LPFFRMGUWCHBIL-HOFZUOGSSA-N 358.526 5.492 30 1 FKEF O=c1oc2cc(N=Cc3ccc(Cl)cc3Cl)ccc2c2ccccc12 2356308646 LHPIPCCMOMTVQL-UHFFFAOYSA-N 368.219 6.004 30 1 FKEF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@@H]3O[C@@]3(C)CCCC2(C)C)cc1 2356389804 HQQJSFUWZFJWEU-MZKRTTBSSA-N 372.505 5.315 30 1 FKEF CCCCCCC[C@@H](c1ccc(C(=O)O)cc1)c1ccccc1C(=O)O 2356627193 ZRMYNPFZLAUWHS-SFHVURJKSA-N 354.446 5.575 30 1 FKEF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 2356686632 NFMWHHOYZDYINA-MYDAXSSOSA-N 370.533 5.411 30 1 FKEF CC=CCCCCCCCCCCCCC(=O)C1=C(O)CC[C@@H](O)C1=O 2356747358 LXXQIOLYXZOVBG-HXUWFJFHSA-N 364.526 5.349 30 1 FKEF CCCCCC=CC[C@@H]1O[C@@H]1[C@H](O)C=CCC=CCCCCCC(=O)O 2356795285 LTXOEHBYWKSNMA-RZUBCFFCSA-N 364.526 5.179 30 1 FKEF CCOC1=CC(=O)C2=C(C[C@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]3(C)C2)C1=O 2356799423 UKZZXHRGEFTKRE-TYJFDUFHSA-N 370.533 5.398 30 1 FKEF O=C(CCCCCCS)Nc1nc(-c2cccc(Cl)c2)cs1 169350148 SRCJHYFPZFCFOJ-UHFFFAOYSA-N 354.928 5.282 30 1 FKEF C=C1CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@H]12 238778772 VWKORDLHIGIYBW-IBQVDBRXSA-N 368.517 5.011 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 253810621 VTOAEHWHEKFQCU-JYRBRTRFSA-N 370.443 5.159 30 1 FKEF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c2)cc1 586879215 FPWYELLCXXLJHI-UHFFFAOYSA-N 371.827 5.625 30 1 FKEF N#Cc1cccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587048416 ATXVHECQFONTKU-UHFFFAOYSA-N 357.800 5.234 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587243903 JXLHZYLHPGWZQK-UHFFFAOYSA-N 353.425 5.211 30 1 FKEF C[C@H](CC#N)[C@@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502019 HUVDYAQENNATFA-IQMFZBJNSA-N 363.432 5.115 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Br)nc2ccccc12 587912968 DESYQFSYXFCREP-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF O=C1Nc2ccc(-c3ccccc3)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 6582676 ZRUDDAIDEDUTCX-IBGZPJMESA-N 357.331 5.087 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)[C@@H]3[C@@H]1C2 13385136 DSRGCYPGONKDIL-WHXWHDBISA-N 368.561 6.853 30 1 FKEF CC(=O)C(=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)C(C)=O 27904100 GZPVHHQEHYWLGD-BRUDIYSRSA-N 366.545 6.622 30 1 FKEF C#CCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 29232357 WTCMMOXDVFNILI-UHFFFAOYSA-N 359.212 5.154 30 1 FKEF CC(C)n1ccnc1/N=C(/Nc1ccc(Cl)c(Cl)c1)NC(C)(C)C 72114368 BPSGFRAKLXKBGO-UHFFFAOYSA-N 368.312 5.259 30 1 FKEF CCCCCCCCCC[C@]1(C)SC(O)=C(Cc2ccccc2)C1=O 101391848 WYBJQZNECNAVTJ-QFIPXVFZSA-N 360.563 6.604 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 101992745 RULAVIRWRLNNKW-ACRUOGEOSA-N 354.881 5.059 30 1 FKEF O=C1CCCCCCCCCC/C(=N/OCc2ccccc2)CCCO1 103200891 HPZNNLCINGCFBV-LNVKXUELSA-N 359.510 5.797 30 1 FKEF C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)COC(=O)c1ccc([N+](=O)[O-])cc1 222906104 DBDRDRUABRRJGG-KAGYGMCKSA-N 369.461 5.493 30 1 FKEF CCCCCCCCCCCCSC1=CC(=O)N(C(C)(C)C)[S@]1=O 253679599 XQOXCGDCQZWLSJ-DEOSSOPVSA-N 373.628 5.786 30 1 FKEF C=C[C@]1(Cc2ccccc2F)c2ccsc2CCN1Cc1ccco1 962714496 WDUNFANFMWUCRI-NRFANRHFSA-N 353.462 5.163 30 1 FKEF COc1cc(/C=C2\CC/C(=C\c3cccc(Cl)c3)C2=O)cc(OC)c1 1772627075 FNFFRUFKHTZFTA-GONBZBRSSA-N 354.833 5.187 30 1 FKEF Cc1cccc2nc(N/N=C/c3ccc(Oc4ccccc4)cc3)sc12 1857743769 WEVRQBAXONJIAE-HYARGMPZSA-N 359.454 5.843 30 1 FKEF C[C@@H](C=O)CCCCCCCCC[C@@H](C=CC(=O)O)Cc1cccc(O)c1 2356774026 PFMPFULBSCQREW-UXHICEINSA-N 374.521 5.538 30 1 FKEF CCCC[C@@H](C)CCCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356789634 DNXKNCGWAAYKPA-QZTJIDSGSA-N 365.558 5.565 30 1 FKEF C=C1[C@H]2Oc3cc(C(C)(C)CCCCCC)cc(O)c3[C@H]2[C@@H]2C[C@H]1C2(C)C 25985453 XDKSOXFRBATANJ-NNTZPNAXSA-N 368.561 6.717 30 1 FKEF CCCCCCCCC1(CCCCCCCC)OC(=O)c2c(O)cccc21 84690481 DXMOFJNHPSBUFM-UHFFFAOYSA-N 374.565 7.259 30 1 FKEF CO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1 103521297 IEZDBCVOOQERGN-CIJMEZBMSA-N 371.502 5.026 30 1 FKEF CCCCCCCCCCCC[C@@H](C)CCCCCCCCCCC 136773637 GOVCFPPSXWBHGY-VWLOTQADSA-N 352.691 9.854 30 1 FKEF CCCCCCCCCCCCCCCC(=O)O[C@H](CC)[C@H](C)CCC 169622423 ZQMFEFNLIVRCJO-DHIUTWEWSA-N 368.646 8.226 30 1 FKEF CCCCC/C(=C\B1OC(C)(C)C(C)(C)O1)[C@](O)(c1ccccc1)C1CC1 199867350 XSNZEINWEKUKHC-JVIWHDFBSA-N 370.342 5.422 30 1 FKEF CCCCCCCCCCCCCC(=O)N1CCC[N@+](C)(CC)CC1 299844841 XXBGDVCDYCPNCS-DEOSSOPVSA-N 353.615 5.386 30 1 FKEF C=CCc1cccc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c12 587160180 KICARYJOKZTKBD-UHFFFAOYSA-N 358.416 5.773 30 1 FKEF Cc1ccccc1[C@H](C#N)c1[nH]c2cc(F)ccc2c1Cc1ccccc1 587635994 WIZFGQREBYAQEY-QFIPXVFZSA-N 354.428 5.862 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(/C=C\C(=O)C(C)(C)C)s1 587921145 VFDNPLPFMBHUIP-BENRWUELSA-N 358.890 5.438 30 1 FKEF CCc1ccc([C@]2(C)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)o1 963190396 NMBQCDAZHKRBPS-UPVQGACJSA-N 356.469 5.228 30 1 FKEF Cc1cccc2c1CC[C@@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963197940 UMLGBXSAPKLVAS-IZZNHLLZSA-N 364.492 5.308 30 1 FKEF CCC[C@H](C)[C@]1([C@H](C)CC)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963197990 UOQDRYGZMAWHJG-YGKRLXNZSA-N 374.572 6.487 30 1 FKEF CCCCCCCCCCCCOc1cc(C(=O)NO)ccc1OC 1857643580 OVRYDVWULBIRIN-UHFFFAOYSA-N 351.487 5.114 30 1 FKEF CCCCCCC=CCCCCCCCC(=O)N[C@@H](C(=O)OC)C(C)C 2356800275 PWRDPNAWRNTGJU-OAQYLSRUSA-N 367.574 5.558 30 1 FKEF CC(=O)N(O)[C@@H](C)c1ccc(Oc2ccc3c(c2)Cc2ccccc2-3)cc1 26145126 DLOVDSOVVJUWDH-HNNXBMFYSA-N 359.425 5.349 30 1 FKEF CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C 36126873 DDQBFKNOKOZBQK-IGKWTDBASA-N 357.582 6.057 30 1 FKEF C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2CCCO 71318062 MAPPOYXUJWOQBV-NOZRDPDXSA-N 352.562 6.930 30 1 FKEF Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3CCCc4ccccc43)cn2)c1 72100945 YXXCAPLJJCRAMQ-BZZOAKBMSA-N 373.456 5.079 30 1 FKEF CCCCS[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@@H]21 169302432 MVAXWDUIVJXHHC-ABOBXUOQSA-N 374.590 5.599 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC/C(C)=C/CC/C(C)=C\CC[C@H](CO)CC1 238735778 DVHRFHOKROCIPF-WDHIMOPQSA-N 358.610 7.541 30 1 FKEF CCCc1c(O)ccc2c1O[C@](C)([C@H](C#N)c1ccccc1Cl)CC2=O 587459921 FAIXQLBDFTXFGM-IERDGZPVSA-N 369.848 5.029 30 1 FKEF CCCC[C@H](CC)COc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587907129 FFJCRPBREUDZIH-SFHVURJKSA-N 370.920 6.344 30 1 FKEF N#Cc1cc(Br)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587969447 SUPDBEGFWWJTCD-HJWRWDBZSA-N 374.241 5.521 30 1 FKEF C=C(C)[C@H]1CC(C)=C[C@@H](c2c(O)cc(CCCCCCCC)cc2O)C1 2356316571 XNWBVPHEGZLIRK-LEWJYISDSA-N 356.550 7.017 30 1 FKEF C=C1CC[C@H]([C@H](C)CCC=C(C)C(=O)O)[C@@H]2[C@@H]1CCC1=CCC[C@]3(C)[C@H]1[C@@H]23 2356588156 KAAGZIORAICENU-LFBGJYEXSA-N 368.561 6.399 30 1 FKEF C/N=C(/S)[C@]1(c2cccnc2)CCCC/C1=C\CSc1ccccc1 8565014 GXGFOFYKSCJGKJ-GUOCTKQSSA-N 368.571 5.570 30 1 FKEF CCCCCCCO/N=C1\CCCCCCCCCCC(=O)NCCC1 103168224 CCVNIFKQLZTYQQ-DARPEHSRSA-N 366.590 6.140 30 1 FKEF CCCCCCC/C=C/C[C@@]1(CC)CC(=O)c2ccc(O)c(CCC)c2O1 587489590 PJAKBGLBBNKNJZ-BYUVYSIJSA-N 372.549 6.766 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cccc3ccccc23)cc1 587906365 BXIJUOQHYIWNIN-UHFFFAOYSA-N 368.863 6.569 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(F)c(CNc2ccccc2)c1 587915944 XIMWJBFBLWAWOB-UHFFFAOYSA-N 365.835 5.500 30 1 FKEF C=C(C1CCCCC1)[C@@H]1CC[C@](O)(C2CCCCC2)[C@@H]2CC[C@@](C)(O)[C@H]2C1 2356614375 RGCHPGQIPMHSNM-HFBCXCLPSA-N 374.609 6.012 30 1 FKEF CCN[C@H]1CC[C@]23C[C@@]24CC[C@@]2(C)C(C(C)=O)=CC[C@]2(C)[C@@H]4CC[C@H]3[C@@H]1C 2356680100 UJZGATBJRUSNIV-WJBLFRSRSA-N 369.593 5.523 30 1 FKEF CCCCCCCCCCc1cc2cc([C@@H](C)N(O)C(C)=O)ccc2o1 36241739 OGCATCOXTYVDFR-QGZVFWFLSA-N 359.510 6.415 30 1 FKEF O/N=C1\CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 36408354 KUGSWYUYGMFUIN-AWUJALMSSA-N 374.528 5.423 30 1 FKEF C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(N(CC)CC)c1 72112952 CGLDEJWECRQQQF-UHFFFAOYSA-N 351.490 5.371 30 1 FKEF O=C1C(c2cccc(Oc3ccccc3)c2)=C(O)N=C2C=C(Cl)C=C[C@@H]12 101127352 WFXQBYPNXVHGRR-QGZVFWFLSA-N 363.800 5.038 30 1 FKEF CC(=O)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 255257754 PANPYWWTEIDYNX-ONJLRMBPSA-N 356.550 5.462 30 1 FKEF COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1c[nH]c2ccccc12 299841470 ZYUKIYCEWARRJA-QFIPXVFZSA-N 373.452 5.344 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(Nc2cc(F)cc(F)c2)cc1)CCC=C(C)C 653719080 IIEILTNZNWXVPL-SWDTZWKESA-N 367.483 7.660 30 1 FKEF CC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCCC#N 28224770 IWWFLNBRMIPPBJ-UHFFFAOYSA-N 357.837 5.194 30 1 FKEF CCCCCCCCCCCCCCO[C@@]1(C)NC(=O)C(C(C)=O)=C1C 43910480 GAGAIUJUXASBMX-JOCHJYFZSA-N 365.558 5.456 30 1 FKEF Cc1ccc(/C(=N/O)N2[C@@H](C)C=C[C@H]2C)c(Oc2cccc(C(C)C)c2)n1 72185708 CVMVAMCGAIIGTQ-ONLTXEECSA-N 365.477 5.090 30 1 FKEF COc1ccccc1/C=C1\C(=O)/C(=C\c2ccccc2OC)c2ccccc21 103173745 PSMOGVIYNCQTKM-BMJUYKDLSA-N 368.432 5.368 30 1 FKEF CCCCCCCC/C=C\CCCCCC[C@H](C(=O)OC)[C@@H](O)C(C)=O 139794592 RKVXHJRCUIJAHS-UFFGUFBSSA-N 368.558 5.373 30 1 FKEF CCCCCCCCCCCCCCCCCCCC[C@H](O)[C@H](C)O 217491932 KKUTVTAVGHFKOV-GOTSBHOMSA-N 356.635 7.160 30 1 FKEF C=CCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599540 GOHPPWXOXAFCAB-KNQAVFIVSA-N 352.430 5.249 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2ccc(F)cc2)cc1 587916872 TVPBUPLPHYGAAX-UHFFFAOYSA-N 364.803 5.119 30 1 FKEF C=C(C)[C@@H]1C[C@]2(C)C(=CC1=O)C=C[C@H](OC(=O)C=CC=C[C@H](C)CC)[C@@H]2C 2356764441 ICTLXILJPBBAPB-ZOWVHQNKSA-N 368.517 5.360 30 1 FKEF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2N/C(=N/Cc3ccccc3)CCC[C@@]21C 6041560 VWXYSYATPFJBIX-HBAHCVPVSA-N 368.609 6.606 30 1 FKEF CCCCCCC/C=C(\C(=O)CCCCCCCC(=O)O)c1ccccc1 44138292 REPGOQLTPMLXTN-PYCFMQQDSA-N 372.549 6.815 30 1 FKEF CCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccccc2)cc1 49757468 BALHAPBNIAUXLM-PTGBLXJZSA-N 368.477 6.009 30 1 FKEF in-vivo C=C(CNC(=O)CCCCCCCCCCCCCCC)C(=O)OC 85893969 XRUWNRFWNHCICM-UHFFFAOYSA-N 353.547 5.313 30 1 FKEF biogenic Clc1cc(Cl)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 586901088 IWFKIJFTKMTVQQ-UHFFFAOYSA-N 353.208 5.530 30 1 FKEF CCCCCCC[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527447 WHNXQGPDHPGVKQ-CYFREDJKSA-N 354.534 6.430 30 1 FKEF N#Cc1ccc(-c2cccc(OCc3ccc(Cl)cc3Cl)n2)s1 1857772706 VDNMNBNSYVBGKH-UHFFFAOYSA-N 361.253 5.568 30 1 FKEF CCCCCCCCCCCCCC=CC(=O)C[C@H](O)COC(C)=O 2356420529 DSLYZXQQSWFUHY-NRFANRHFSA-N 354.531 5.127 30 1 FKEF Cc1cccc(N/C(S)=N/C2C[C@@H]3CCC[C@H](C2)N3CC(C)C)c1C 8677128 HLNWXEIGPRHJFB-YQQQUEKLSA-N 359.583 5.043 30 3 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(OC(C)=O)ccc1O 14858388 DGNYBWKDKZPJTB-PARPOCPVSA-N 356.506 5.659 30 1 FKEF biogenic CCCCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 89455910 QIMJYNBMSVYRKH-PZJWPPBQSA-N 360.582 6.829 30 1 FKEF Clc1ccc(-c2csc(NN=C3CCCCCCC3)n2)c(Cl)c1 96928886 PFYQUSFLDGZQEH-UHFFFAOYSA-N 368.333 6.629 30 1 FKEF C=C1CC[C@H]2[C@@](C)(C[C@H](O)[C@H]3C(C)(C)CCC[C@@]32C)[C@@H]1CC/C(C)=C\CO 141934105 WJTRDGPQMBTDGG-QOQWFFHQSA-N 374.609 5.891 30 1 FKEF N#Cc1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628599 WVXREEMRLGCSPD-UHFFFAOYSA-N 355.241 5.139 30 1 FKEF C=CCC(C)(C)c1nc2cc(OCCCC)c(Br)cc2[nH]1 587954083 BKHZPUGAQHFBGA-UHFFFAOYSA-N 351.288 5.358 30 1 FKEF CCCCCCCCCCC[C@@]1(c2ncco2)c2nn(C)cc2CCN1C 963953652 BULOGWRGODNEMX-QFIPXVFZSA-N 372.557 5.061 30 1 FKEF CCN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)C(C(C)=O)=CC[C@]2(C)[C@@H]4CC[C@H]3[C@@H]1C 2356680099 UJZGATBJRUSNIV-RNVZECFMSA-N 369.593 5.523 30 1 FKEF CC(C)CC[C@H](C)CCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356820561 FMLXCEGMUOREDJ-QZTJIDSGSA-N 365.558 5.421 30 1 FKEF C=C(C)n1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2 27108511 DNSWZASMEZRNSZ-UHFFFAOYSA-N 367.246 5.056 30 1 FKEF CCC[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 101505018 LNLHXQQVDKSMLL-PGTVFPJISA-N 373.564 5.684 30 1 FKEF CCCCCCCCCCC[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445092 HVQPEMGTMPWRMU-AUSIDOKSSA-N 358.522 6.122 30 1 FKEF CC1(C)CC(=O)C=C(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1=O 61921070 LODBTZYLVHLLKI-UHFFFAOYSA-N 374.358 5.204 30 3 FKEF O=C(/C=C/c1ccc(Cl)cc1)c1c(O)cccc1OCC1CCCCC1 28639747 GAIDDCRFFXZFCG-SDNWHVSQSA-N 370.876 5.901 30 1 FKEF CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1CCCCO1 34803689 WHRUUJVCEWDFEY-NJRZHNRPSA-N 352.559 6.356 30 1 FKEF CCCCCCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1 43381892 DJEVJRYRHKTJOE-UHFFFAOYSA-N 373.544 6.973 30 1 FKEF C=C[C@H]1CN(CCCC)CC[C@H]1CCC(=O)c1ccnc2ccccc12 84687529 SRKGSQTUEVOKPT-RBUKOAKNSA-N 350.506 5.122 30 1 FKEF CCCCCCCCCCc1c(C)n(O)c(C)c(Br)c1=O 95583721 IVTQIZINJWWSHY-UHFFFAOYSA-N 358.320 5.148 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H]1[C@@H](CC#N)C1(C)C 587626339 SMNUKRHZYADCQZ-MEBBXXQBSA-N 374.328 6.167 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2cnn(C(C)C)c2)c1 587904472 MTUPJPHFWUBDOF-UHFFFAOYSA-N 350.849 5.193 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(CNCc2ccccc2)c1 587904683 ULEYJNIQZAAYTR-UHFFFAOYSA-N 361.872 5.038 30 1 FKEF CCCCCCCCC[C@@H](C)CCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356404756 WGGHNDTUKMWTHN-SJORKVTESA-N 351.531 5.175 30 1 FKEF COC(=O)CCCCCC#CC=CCCCCCCC=CBr 2356478473 GBJNPTCLVKKQCK-UHFFFAOYSA-N 369.343 5.919 30 1 FKEF CCCCCCCCCCC1=NC[C@@H](c2ccc(Cl)cc2)CC(=O)O1 42888519 URTGQSWIVSZOLE-SFHVURJKSA-N 363.929 6.300 30 1 FKEF CCCCCCCCO[C@H]1c2cc(Cl)ccc2OC[C@H]1n1ccnc1 43379656 SWSUELLDBCHFTF-QUCCMNQESA-N 362.901 5.588 30 1 FKEF CCCCCCCCCCCCCCCC(=O)C(F)(F)C(F)(F)F 44386890 VAEAKUNUEJEQSG-UHFFFAOYSA-N 358.435 7.234 30 1 FKEF CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)OC 44431259 KFHQFEDJGDXFSG-HJWRWDBZSA-N 360.538 6.589 30 1 FKEF O=CCN1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc2ccccc2c1 103168338 LMOGIGLGOOAIRI-VWLOTQADSA-N 364.448 5.343 30 1 FKEF CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1ccccc1C)N[C@@H]2c1ccccc1C 169320370 HVSOWXGRFNTGEQ-PGVPCHRCSA-N 362.517 5.498 30 1 FKEF CCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601237 RQQDZDKMTPOMBF-DENIHFKCSA-N 354.446 5.473 30 1 FKEF CCCCCCCCn1cc(CN2CCCCCC2)c2ccc(OC)cc21 1772632974 WTGNZVHDONOBLI-UHFFFAOYSA-N 370.581 6.386 30 1 FKEF C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@H](C(=C)C)c2cc(C)c(o2)[C@H]1OCC 2356448204 UJFMLTLCPYIUEE-SFFNPBHPSA-N 356.462 5.163 30 1 FKEF CCCCCCC=CC[C@H](CCCCC)C[C@H](CCCC(=O)O)CNC 2356779228 OSLCIRVTDLVRRQ-VXKWHMMOSA-N 367.618 6.580 30 1 FKEF C(=N/N=c1\scc(-c2ccccc2)n1-c1ccccc1)\c1ccccc1 3079250 OLULYOFTWMSNLU-NGAXQJCKSA-N 355.466 5.141 30 1 FKEF COc1ccc(C(=O)/C(C)=C/c2ccc(Cl)cc2Cl)c(OC)c1 27555794 BUOFZASIAIOVHV-DHZHZOJOSA-N 351.229 5.297 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)O)cc1 43411849 MAIJIPGFLLOFMZ-KNTRCKAVSA-N 360.538 6.864 30 1 FKEF CCCCCCCCCCCCCCCC1C(=O)OC(C)(C)OC1=O 72173488 VFEMXXKKYLJBLZ-UHFFFAOYSA-N 354.531 5.920 30 1 FKEF CCCCCCCCN=c1sc2c(C)c(O)c3ccccc3c2n1C 377612343 COQJOGJIRUFYBC-UHFFFAOYSA-N 356.535 5.668 30 1 FKEF CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(CO)=CC[C@@H]12 2382253057 CKAIUXBWJSXNHZ-PURYDZRESA-N 370.577 5.875 30 1 FKEF C#CC[C@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)=C(C)C1=O 26827113 IMAXHSXDWYAKCB-MPQCXXONSA-N 352.474 5.031 30 1 FKEF CCC1=C(O)c2c(oc(-c3ccc(CC)cc3)cc2=O)C(CC)(CC)C1=O 40980393 RUWYEHQXZCJQKX-UHFFFAOYSA-N 366.457 5.189 30 1 FKEF CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCOC(CO)CO 43393537 SFYHQMUNGGRABY-RTWAWAEBSA-N 356.591 5.474 30 1 FKEF CCCCCCCCCCCCCC[C@@H](CO)NC(=O)OC(C)(C)C 43815538 QJPTYDGYJHVVEW-IBGZPJMESA-N 357.579 5.963 30 1 FKEF CCO/C(O)=C1/C(CC)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 103543192 XSKCBWNHKANCCL-HMDOMZECSA-N 353.462 5.084 30 1 FKEF CCCCCCCCCC1=C(O)C(=O)C(Cc2ccccc2)=C(O)C1=O 169336133 LJHFBVIFSDYBGJ-UHFFFAOYSA-N 356.462 5.146 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C(Cc4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 261179907 VVDWEHROXAUWQZ-YHWRFKMISA-N 374.524 5.476 30 1 FKEF C=CCc1cccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957880 ZAAMNNNOFIUFCH-UHFFFAOYSA-N 370.537 6.210 30 1 FKEF CC(C)[C@@H]1C[C@@]2(CS1)c1ccccc1CCN2[C@@H](C#N)c1ccccc1 963193098 KJGPXMMUHWJYEH-RJGXRXQPSA-N 362.542 5.166 30 1 FKEF CCN(c1ccc(C#N)c(Cl)c1)c1cc(C2=CCCCC2)ccc1C 1857545111 WHJGGTPQWCJVSO-UHFFFAOYSA-N 350.893 6.636 30 1 FKEF CC(C)[C@@H]1CC[C@]2(C)CCC[C@H](C=O)[C@@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356500092 NLJASCRUZYABSR-JXNNMWDUSA-N 368.517 5.299 30 1 FKEF C=CC[C@@H]1Oc2cccc(OCC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493596 FRYYOGKOYDTCBQ-IBGZPJMESA-N 361.485 6.369 30 1 FKEF CCCCCCCCCCCCCCCCc1ccc(CC(=O)O)o1 44431418 MYKNDMTYMCTYAG-UHFFFAOYSA-N 350.543 6.931 30 1 FKEF biogenic C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC(C)(C)O 169344116 ITUOXRNSZJYYMC-ILGLOGIYSA-N 372.593 5.954 30 1 FKEF C[C@@](CCC#N)(c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502226 FDWOBQRUFSUAJI-LADGPHEKSA-N 359.469 5.161 30 1 FKEF CCC(CC)(CCC#N)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587728681 APTVWYGPKZUDFF-YVEFUNNKSA-N 367.306 5.274 30 1 FKEF CC(C)[C@@H]1CC[C@]2(C)CCC[C@H](C=O)[C@@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356500093 NLJASCRUZYABSR-XVWAWNKYSA-N 368.517 5.299 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCC(=CC(=O)O)COC(C)=O 2356754922 UZVOKBODOSKIIR-JQVVWYNYSA-N 362.510 5.140 30 1 FKEF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2c1csc(N)n1 254012049 LBSHCMQCZQSXKN-XEFDQGCZSA-N 370.562 5.341 30 3 FKEF C=C1C=C(C)[C@H](Cc2cc(OC)c(Br)cc2O)C(C)(C)C1 3833835 LTVRZWVCODPBKO-AWEZNQCLSA-N 351.284 5.254 30 1 FKEF CCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 13746843 WLAOFEXUHCVHAH-PTZDDJATSA-N 354.534 5.670 30 1 FKEF C=C(Cc1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)CCC(C)(C)O2 28525815 YDNOOMPTRZAXFS-UHFFFAOYSA-N 368.473 5.072 30 1 FKEF CC#CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34175423 QIVWKKGISABDKH-NMQWMWRVSA-N 354.578 5.976 30 1 FKEF biogenic CC(=O)C1=C(C)Nc2ccccc2S[C@H]1c1ccc(Cl)cc1Cl 43121209 RPUCTVBVBNQBEK-SFHVURJKSA-N 364.297 6.115 30 1 FKEF CCCCCCCCCCCCCCC[C@H](O)C[C@H](O)CCCCC 86001424 UTABNNBRPUDDNU-PKTZIBPZSA-N 356.635 7.160 30 1 FKEF endogenous,in-man CCCCCCCCCCCCCC[C@H](C)Oc1ccc(C(=O)O)cc1 169344839 WACPEUSXIKNXPH-FQEVSTJZSA-N 362.554 7.243 30 1 FKEF CCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](O)CO)OC 200416255 HAEKESXEMFDAFY-WKASWSHTSA-N 372.590 5.019 30 1 FKEF C/C=C/C=C\CCCCCCCCCCC(=O)C1=C(O)CC[C@H](O)C1=O 238763843 PZRXMWHGDOILSY-DMZRHTGOSA-N 362.510 5.125 30 1 FKEF CCCCCCCCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099461 JTXZXXOGFUXJOM-UHFFFAOYSA-N 371.524 7.048 30 1 FKEF C=C1OC(=O)C(=CCCCCCCCCCCCCCCCCC)[C@@H]1O 2356631196 SQZLNCJQWPKOOM-JOCHJYFZSA-N 364.570 6.606 30 1 FKEF Cc1ccccc1/C(=C\c1cc(OCc2ccsc2)ccc1C#N)CO 13780376 CZTBQQKBWRVYAX-JMIUGGIZSA-N 361.466 5.040 30 1 FKEF C[C@H](C=O)[C@H]1CC[C@H]2/C(=C/C=C3CCC4(CC3)OCCO4)CCC[C@@]21C 26644729 FVCXSAIIJRCXNN-IOVPRGIQSA-N 358.522 5.208 30 1 FKEF CCCCCCCCCCC1=NC[C@H](c2ccc(Cl)cc2)CC(=O)O1 42888515 URTGQSWIVSZOLE-GOSISDBHSA-N 363.929 6.300 30 1 FKEF CCCCCCCCCNc1ccc2c(Cl)c(OC)oc(=O)c2c1 95586849 XPEIUDIGZCMDKK-UHFFFAOYSA-N 351.874 5.618 30 1 FKEF C=C1CC[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)[C@H]2[C@@H]1CCC1=CCC[C@@]3(C)[C@@H]1[C@@H]23 238739073 KAAGZIORAICENU-QHVRHTGBSA-N 368.561 6.399 30 1 FKEF C=CCc1cccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 586995874 KIQNQLRYODXFBO-UHFFFAOYSA-N 371.278 5.368 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(N)cc2F)cc1 587916829 WETCSJKEKMVKJX-UHFFFAOYSA-N 367.807 5.262 30 1 FKEF O/N=C/c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1Cl 28564264 UFZUMHLMGJFCAD-ZMOGYAJESA-N 374.831 5.267 30 1 FKEF CCCCCCCC/C=C\CCCCCCC(=O)c1nc2ncccc2o1 44361614 WIGRUPUBOVCPHJ-KTKRTIGZSA-N 370.537 7.053 30 1 FKEF CC(C)CCO/N=C(\Cc1cccnc1)c1ccc(Cl)cc1Cl 73413412 MBEWLCPCLCBJRX-RELWKKBWSA-N 351.277 5.398 30 1 FKEF CCCCCCCCCCCCc1ccc(C(=O)N2CCC(O)CC2)cc1 103275294 DKPPUFUHKBLGQG-UHFFFAOYSA-N 373.581 5.747 30 1 FKEF N#C[C@@H](C(=N)Sc1ccc(N)cc1)c1cccc(Cc2ccccc2)c1 169717985 WOHHIDPNYOQTDF-OAQYLSRUSA-N 357.482 5.236 30 1 FKEF CCCCCCCCCCC/C=C\CC/C=C/C=C/C(=O)N[C@H](C)CC 238773588 XFWSQAFQPXGKME-SPFWICIWSA-N 361.614 7.271 30 1 FKEF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)cc(C#N)cc2[nH]1 587066182 HMHYCZIXZAFFCB-UHFFFAOYSA-N 367.239 5.508 30 1 FKEF Cc1cc(F)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 587093485 NLPMCHWTVSETNK-UHFFFAOYSA-N 362.248 5.715 30 1 FKEF C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587191753 XCZJIQCQSZSCAA-HNNXBMFYSA-N 371.465 5.726 30 1 FKEF CC(C)=C1CC=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 587890804 DQKDXQOKVOTYPX-UHFFFAOYSA-N 362.300 5.102 30 1 FKEF O=C1C/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1ccc(Cl)cc1 1772582954 RBNUSAGUYOROAL-TXCMAPRMSA-N 350.270 5.341 30 1 FKEF CCCCCCCCC=C[C@H](CCCCCCCCCCCC)C(=O)O 2356340759 XJXROGWVRIJYMO-HSZRJFAPSA-N 366.630 8.305 30 1 FKEF CCCCC(=O)C=CCCCCCCc1cc(=O)c2ccccc2n1C 2356497574 RYOZJPAVHRFRAH-UHFFFAOYSA-N 353.506 5.347 30 1 FKEF C[C@H](C=O)[C@@H]1CC[C@@H]2/C(=C/C=C3CCC4(CC3)OCCO4)CCC[C@@]21C 26644714 FVCXSAIIJRCXNN-RWXYKGLISA-N 358.522 5.208 30 1 FKEF CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)C(C)C)CC2)cc1 102894834 MMHMNBIZCXRPHS-SOAUALDESA-N 358.634 7.101 30 1 FKEF CCCCC/C=C\C/C=C\CCCCCCCC1=C(O)C(=O)C=C(O)C1=O 136038032 WSPSBGYYAVPUDE-HZJYTTRNSA-N 374.521 6.206 30 1 FKEF CCc1ccc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1Br 586976183 DWCZCIXOVNMXMJ-UHFFFAOYSA-N 360.642 5.080 30 1 FKEF N#Cc1cc(Cl)c2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2c1 587163359 IAXCZHHBGPBORZ-UHFFFAOYSA-N 353.809 5.623 30 1 FKEF C(=N/OCc1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 653708707 XQWLHARSWZDSGW-LFVJCYFKSA-N 353.425 5.090 30 1 FKEF CCCCCCCCCCCCCCCC(=O)O[C@H]1C(=O)OCC1(C)C 1857611184 OHWPDGNCJNTYJB-FQEVSTJZSA-N 368.558 5.963 30 1 FKEF C=C1CC[C@@H]2[C@@H]1C[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)CO)[C@@H]1C[C@H]1O[C@@]12C 2356666229 JPWWOAMPHFTWJX-HGLJDUOFSA-N 372.593 5.908 30 1 FKEF CO/N=C(/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 4632539 MZHLINRYBSMUHH-GFMRDNFCSA-N 365.473 5.133 30 1 FKEF C=CC[C@@H]1Oc2cccc(SC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493608 XTULGNRZXMHXPU-KRWDZBQOSA-N 363.526 6.693 30 1 FKEF CN(CC#CCCC1SCCCS1)Cc1ccc2ccccc2c1 13821707 AJQRODUJNPNDAV-UHFFFAOYSA-N 355.572 5.251 30 1 FKEF CCCCCCCCCCCCOc1ccc2c(c1)CCc1nncn1-2 43482049 BVVRKUOOQVGALE-UHFFFAOYSA-N 355.526 5.666 30 1 FKEF CCCCCCC[N+](CC)(CC)C/C=C\Cc1cccc(Cl)c1Cl 43705995 JMSJPIPEOFLODN-BENRWUELSA-N 371.416 6.919 30 1 FKEF Cc1ccc2c3c(cc(-c4ccc(N=[N+]=[N-])cc4)nc13)-c1ccccc1C2=O 587097479 JDOYLXRQMUQVBS-UHFFFAOYSA-N 362.392 6.363 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C#N)c2c1 587639372 TXWZPWFZEKJVJC-LBPRGKRZSA-N 353.263 5.983 30 1 FKEF CC(C)OC1CCC2(CC1)c1ccccc1CCN2[C@@H](C#N)c1ccccc1 963205078 NCAUUQVYSWTZOB-JYNIAERNSA-N 374.528 5.372 30 1 FKEF O=C1CCCC2=C1[C@H](c1ccccc1Cl)c1ccc3ccccc3c1N2 40407467 POTNVBDYRBQZOD-OAQYLSRUSA-N 359.856 6.058 30 1 FKEF CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 104072004 BIYIJSFCMOZJNF-UUZBPDLYSA-N 353.462 5.147 30 1 FKEF C=C(C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)C/C=C(\C(=O)O)CC/C=C(\C)CC[C@H]12 105561924 FSKFLBQJBSQQKA-DMZCBJAKSA-N 370.577 6.933 30 1 FKEF CCCCCCC[Si](CC)(CC)CCCCCCCC(=O)NCCO 473108516 MSDCHAUIKNVZSI-UHFFFAOYSA-N 371.682 5.895 30 1 FKEF N#CCC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498210 DDLOYIMSCMEXEX-QFIPXVFZSA-N 365.860 5.383 30 1 FKEF COc1ccc(Cl)cc1C#CCc1c2ccccc2nc2ccccc12 587898754 PQHSIUKYZQBZHH-UHFFFAOYSA-N 357.840 5.644 30 1 FKEF COc1ccc2[nH]cc(/C=N/c3sc4c(c3C#N)CCCCCC4)c2c1 653907551 BSNLJOFNFDMZSR-ZMOGYAJESA-N 363.486 5.519 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(CN[C@@]3(C)CCC[C@@H]3CCCO)=CC(C)=C2C1 2356427649 ILPMMOFUNUDHKX-MFYODDQASA-N 371.609 5.936 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H]([C@H](C)CCC=C(C)C(=O)O)CC[C@@]3(C)C[C@@H]12 2356599542 DIQGDBNYBUYWHQ-DVTBIXOMSA-N 370.577 6.789 30 1 FKEF N#Cc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1 95569986 DJVBISWETWUOJG-UHFFFAOYSA-N 365.461 5.678 30 3 FKEF CCC(=O)/C=C/[C@]1(C)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)C[C@@]2(C)O1 238744289 DJTVQIDPSCHPOP-AFAYOXSASA-N 362.554 5.063 30 1 FKEF Cc1cc(Cl)cc2c(C#N)c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH]c12 587626393 GGKXOSYUNJGOGL-CYBMUJFWSA-N 373.884 5.116 30 1 FKEF CCCCCC/C=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821815 XZUCOPCLRJQVGH-LNVIXWOPSA-N 354.307 5.690 30 1 FKEF CC(C)(C)c1ccc([C@@]2(CC#N)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100739 JBIKMHPEGCUCRV-YKSBVNFPSA-N 362.492 5.301 30 1 FKEF C=C(CCCC)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 40975490 FHZPSOXHPVTEFP-RUZDIDTESA-N 369.508 6.571 30 1 FKEF CCCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO 231934763 ORVHRBKYJKEGFB-DDHXBNBWSA-N 361.570 5.631 30 1 FKEF C=CCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348590 ADFCHUXXYIALGQ-GGAORHGYSA-N 368.448 5.785 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(O)c(Cl)cc(Cl)c1Cl 587900434 PPGBYDODFURJFT-UHFFFAOYSA-N 362.039 5.414 30 1 FKEF C=C1[C@H](C)CCC[C@@]1(C)CCC(C)=CCC1=C(OC)C(=O)C=C(OC)C1=O 2356471847 AZBHZNBFRZPJFT-MWTRTKDXSA-N 372.505 5.068 30 1 FKEF C=C1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356656612 VWKORDLHIGIYBW-ILCIMEMOSA-N 368.517 5.011 30 1 FKEF CCCC[C@H](C)CCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356857966 SOJRDBWVSDEOFR-IRXDYDNUSA-N 351.531 5.175 30 1 FKEF CC(C)c1ccccc1/N=C1\SCC(C)(C)CN1Cc1ccccc1 28948325 QQUDKOIPKYJNLT-LNVKXUELSA-N 352.547 6.073 30 1 FKEF C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@H](O)[C@H]4/C(CO)=C/C[C@H]3[C@H]12 34081020 GFUBBDUOFRQHPV-POPUDQMHSA-N 372.593 5.357 30 1 FKEF N#Cc1ccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)cc1 73195647 IZUCNCXKMINXNV-UHFFFAOYSA-N 361.792 5.019 30 1 FKEF C=CC[N+]1(C)[C@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 101505068 XWHJREUWFMMSHD-JZKCUWCCSA-N 371.548 5.460 30 1 FKEF C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)COC(=O)c1ccccc1Cl 222891044 FNKXTIYXLNBMOU-ZWCUEREDSA-N 358.909 6.238 30 1 FKEF C#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C 238769298 KQWAKTWJWYLNME-CSOFANMDSA-N 373.564 6.940 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600791 BMJQLIVUNKNKCK-ZSRQGECASA-N 364.441 5.105 30 1 FKEF CCCCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884614 OJNRQZOTHHDJFC-UHFFFAOYSA-N 374.311 5.046 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccnc2cc(C(F)(F)F)ccc12 587913636 AARNFHOTZRCICY-UHFFFAOYSA-N 361.750 5.315 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC(C)(C)CC(C)=O 2356535370 XMGIBLOLCCXDOM-BZRIBIQUSA-N 362.554 5.724 30 1 FKEF N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(Cc2ccccc2)c1 28254604 WAHQJJLIQLLJGD-UHFFFAOYSA-N 365.436 5.186 30 1 FKEF CCCCCCCCC(=O)CCCCCCCCCCCCC(=O)OC 238761519 VRNZOSPVHVIAPX-UHFFFAOYSA-N 368.602 7.160 30 1 FKEF CCCCCCCCCCCC[C@H]1C[C@@H]1CCC[C@H](O)C#CC#CCO 238786315 JOHTYJMIIFZAKY-KMDXXIMOSA-N 360.582 5.464 30 1 FKEF C=CCc1ccc(OCc2ccccc2)c(-c2ccc(O)c(CC=C)c2)c1 1911582370 BSIGAIRVCSIRFH-UHFFFAOYSA-N 356.465 6.095 30 1 FKEF C=C[C@@](C)(CCC=C(C)CC(=O)C=C(C)C)CC(=O)c1ccc(O)cc1O 2356519814 QGXFRTQQPXHULK-QHCPKHFHSA-N 370.489 5.515 30 1 FKEF C=C[C@@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(CCCCC(=O)O)CCC[C@@]23C)C1 27093773 IFIXXFKTBDCXOX-IRFVPCFSSA-N 358.566 6.767 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCN1C[C@@H](C)O[C@H](C)C1 43628002 MJJHRWHTMVNDJQ-MERUEMHMSA-N 365.646 7.133 30 1 FKEF CCC(CC)n1nc(C(F)(F)F)cc1/C(CSc1ccccc1)=N/O 95578193 DOKHOBVXFYVNPJ-HYARGMPZSA-N 371.428 5.234 30 1 FKEF N#Cc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 139401923 PRUBAUPIANPDBG-UHFFFAOYSA-N 364.408 5.551 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCC(C)(C)CC(C)=O 2356535373 XMGIBLOLCCXDOM-IYRWYFENSA-N 362.554 5.724 30 1 FKEF C=C1C[C@H](CCCCCCCCCc2cccc(OC)c2OC)OC1=O 29410513 MKFJRRMYWGERCT-IBGZPJMESA-N 360.494 5.239 30 1 FKEF in-vitro C=CCOC1=C(CCC)C(=O)S[C@]1(C)CCCCCCCCCC 38141811 BQKAOWGHBULYNT-OAQYLSRUSA-N 352.584 6.806 30 1 FKEF C=C[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 101058640 DJAAPGPGXVPSMP-YSFYHYPLSA-N 369.455 5.108 30 1 FKEF CCC(=O)[C@@H](C)C(=O)/C(C)=C/C(C)=C/[C@@H](C)/C=C(\C)C(=O)/C(C)=C\C(C)C 140284226 JKSSPGWIWKMCSU-DGDPKHEHSA-N 372.549 5.817 30 1 FKEF CCCCCCCCCC[C@@H]1C(=O)O[C@H]1CCSCCCN(C)C 201552652 PQFJLBYLICWOHT-OALUTQOASA-N 357.604 5.134 30 1 FKEF Cc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(F)c1 587146267 GRBFFTWWFYXZJJ-UHFFFAOYSA-N 362.248 5.715 30 1 FKEF C[C@]1(c2ccc(S)cc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963192224 QJXDPUKSDOLOIC-RPWUZVMVSA-N 370.521 5.362 30 1 FKEF CCCCCCCCCc1ccc(CNCCC[P@](C)(=O)O)cc1 36178185 GYRSLHWASFQOPP-UHFFFAOYSA-N 353.487 5.360 30 1 FKEF C[P+](C)(C)Cc1ccc(C(=O)c2ccc(C[P+](C)(C)C)cc2)cc1 45355654 STILQEAQCDCNAW-UHFFFAOYSA-N 360.418 5.732 30 1 FKEF CCCCCCC[C@H](C)CCCCCCCCCCCCCC(=O)OC 218036832 KWSMRBAZENXBNC-QHCPKHFHSA-N 368.646 8.227 30 1 FKEF CC(C)CCCC/C=C\CCCCCCCCC[C@@H](O)C#CC#CCO 238769040 XHLZCKOMBOQHNF-XTGFCRJSSA-N 360.582 5.630 30 1 FKEF Cc1cccc(N=Cc2[nH]c3ccc(Br)c(Cl)c3c2O)c1 261183709 WSFNRHXDVPZJBI-UHFFFAOYSA-N 363.642 5.348 30 1 FKEF aggregator C=CCc1c(-c2ccco2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990407 DOIUMXTXKBOCQH-UHFFFAOYSA-N 353.377 5.140 30 1 FKEF O=C(c1c(C2CC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)F 587626435 URNNOMIAKNIQJU-UHFFFAOYSA-N 371.227 5.531 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)/C=C\c3ccccc3)c2c1 587642457 SFRVKXBIFWUBQX-FWLQQBITSA-N 371.402 6.596 30 1 FKEF O=C[C@@H](SCc1ccccc1)[C@H]1NCCc2cc(-c3ccccc3)ccc21 962662617 FCXRPXCIGIYGCQ-RPWUZVMVSA-N 373.521 5.041 30 1 FKEF C[C@H](C=O)CCCCCCCCC[C@@H](C=CC(=O)O)Cc1cccc(O)c1 2356774025 PFMPFULBSCQREW-PMACEKPBSA-N 374.521 5.538 30 1 FKEF C=C(C)[C@H]1Cc2c(ccc(O)c2OC)-c2cc3c(c(O)c21)C=CC(C)(C)O3 14637301 OTZDQKLKJSGFPB-OAHLLOKOSA-N 364.441 5.173 30 1 FKEF biogenic Cc1cc(Oc2nc(C)ccc2/C(=N/O)N2CCCCC2)cc(C(C)C)c1 72186478 GWFVKDRBRHTXPY-FLFQWRMESA-N 367.493 5.236 30 1 FKEF C=CCn1c(O)c(/N=N/C(=S)Nc2ccc(C)cc2)c2ccccc21 101742199 SWDIIAHMGVHOKQ-QURGRASLSA-N 350.447 5.322 30 1 FKEF CCCCCCCCCCCCCCc1cc(C(=O)OC)c(N)s1 210667911 RMPJHDBRUHKPAZ-UHFFFAOYSA-N 353.572 6.361 30 1 FKEF COc1cccc(-c2ccc(-c3nc4ccc(C#N)cc4[nH]3)c(Cl)c2)c1 587052387 RJHXBEGITMQUIX-UHFFFAOYSA-N 359.816 5.431 30 1 FKEF CCCCCCC[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527450 WHNXQGPDHPGVKQ-YADARESESA-N 354.534 6.430 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@@H](C)[C@@]2(C)Cc1cc(C(=O)OC)ccc1O 2356467324 MCWRSBQVRBILTP-BGACZQCLSA-N 356.506 5.520 30 1 FKEF CCCCCCCCCCCCCC=CCCC=C[C@H](O)[C@H](N)CO 2356517444 KHMOVAZCVMSUTQ-YADHBBJMSA-N 353.591 5.261 30 1 FKEF C(#Cc1cnc2ccccc2c1)CCCN1CC=C(c2ccccc2)CC1 13757288 JJHFMCIAAKWGHM-UHFFFAOYSA-N 352.481 5.156 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c(OC)c1OC 27518341 GZTTWQFOJPWELH-RVDMUPIBSA-N 374.436 5.276 30 1 FKEF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1F)C1=C(CC(C)(C)CC1=O)N2 43014212 IOYSHVNHUBQIBG-NRFANRHFSA-N 368.427 5.495 30 1 FKEF CCCCCCCCCCc1c(C)c2ccc(OC(C)=O)cc2oc1=O 44386561 FJZRNKTUPJUEAK-UHFFFAOYSA-N 358.478 5.710 30 1 FKEF Cc1ccc(/C(=N/O)N2CCCCCC2)c(Oc2cccc(C(C)C)c2)n1 72102098 GRGCAUQMWGDEIE-FLFQWRMESA-N 367.493 5.318 30 1 FKEF C[C@H](/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 137235530 KLZYXWJPRWEJSX-JASPGECPSA-N 370.533 5.411 30 1 FKEF C=C1CCC[C@]2(C)CCC(c3cn(-c4ccc(OC)cc4)nn3)=CC[C@@]12C 299866437 OZMORHXGRQFHKI-PKTZIBPZSA-N 363.505 5.596 30 1 FKEF CC(C)c1cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586896570 OHYAZTMXGAOTKH-UHFFFAOYSA-N 353.853 5.707 30 1 FKEF N#Cc1cccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587094771 GPNFMHIQRIOZIM-UHFFFAOYSA-N 355.241 5.139 30 1 FKEF Cc1c(Br)cc2nc(-c3cccc([C@@H](C)C#N)c3)[nH]c2c1C 587187692 JTORUGRZNPGCRB-JTQLQIEISA-N 354.251 5.236 30 1 FKEF COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(C)(C)CC1(C)C 26826876 LMOBLSGANUODPB-DJRRULDNSA-N 356.506 5.506 30 1 FKEF C/C(=N\O)c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 28564266 BEBUWUNFKKTILY-CVKSISIWSA-N 354.413 5.004 30 1 FKEF CCCCCCCCCCCC(=O)c1c(C(=O)O)n(C)c2ccccc12 38158698 ICJXJNRPACHPIA-UHFFFAOYSA-N 357.494 5.980 30 1 FKEF COc1cc([C@@H]2c3cccc(C#N)c3N[C@H](c3ccccc3)[C@H]2C)ccc1O 96913162 FDCYBNLGBJCHKB-BJQRDSPESA-N 370.452 5.207 30 1 FKEF CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccccc2C)/C1=C(\O)OC(C)C 103540305 RBKYANFSRCIYCF-QWODIWHTSA-N 367.489 5.391 30 1 FKEF CCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO 238781823 SJQQXPNOXOIRKD-ROVXQSMVSA-N 368.558 5.086 30 1 FKEF CCCCCCCC1(CCCCCCC)CC(=O)c2cc(C)cc(N)c2O1 587404696 YWQVLXWHKAXLKE-UHFFFAOYSA-N 373.581 7.002 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Cl)cc1CC(F)(F)F 587912440 HZAMCQCVVAQIDN-UHFFFAOYSA-N 359.174 5.507 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2ccc(C=O)s2)c1 587920521 GUDFCIVILIFAHG-UHFFFAOYSA-N 352.842 5.289 30 1 FKEF O=C(O)CCC/C=C/CCCCCCCCC#C/C=C/Br 13379750 GLVCRWQIQQDOLB-ARBZGMGISA-N 355.316 5.830 30 1 FKEF C=C(C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(c23)O1 26578672 PDRWCRMFGZDUAL-UHFFFAOYSA-N 370.404 5.171 30 1 FKEF O=C1CCCC2=C1[C@@H](c1ccccc1Cl)c1ccc3ccccc3c1N2 40407472 POTNVBDYRBQZOD-NRFANRHFSA-N 359.856 6.058 30 1 FKEF CC(C)c1ccc(Oc2ncccc2/C(=N/O)N(C)C2CCCCC2)cc1 72102064 DFYQMBCIGUZCEF-FLFQWRMESA-N 367.493 5.398 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCCO)C3)CC[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C 85545233 ZLDLTDUYENLDJB-OIBNYYFBSA-N 352.562 6.060 30 1 FKEF biogenic,in-vitro O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1nc2ccccc2s1 299832073 KOQQYCFZRHBKFR-ZDUSSCGKSA-N 353.468 5.305 30 1 FKEF CCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352427 JEDYLIMEGFITHF-JTHBVZDNSA-N 370.464 6.009 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc2nn(Cc3ccccc3)cc12 587911215 NVCYMRRWEZHPQB-UHFFFAOYSA-N 372.855 5.146 30 1 FKEF C=C1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)[C@@H]12 2356656614 VWKORDLHIGIYBW-JXNNMWDUSA-N 368.517 5.011 30 1 FKEF O=C1C(=O)C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)=C(O)c2ccccc21 100236514 BSJMWHQBCZFXBR-OTVXOJSOSA-N 366.844 5.349 30 3 FKEF in-vitro COc1ccc(/C=C(\C)C(=O)/C=C/c2cccc(Br)c2)cc1 653905130 BUVUAXYEYKTURW-RKZGRAQHSA-N 357.247 5.144 30 1 FKEF CC[C@]1(c2ccc(N)cc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963191465 OUZZIXCVICBRJD-DQEYMECFSA-N 367.496 5.045 30 1 FKEF C=CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCC1 72186577 XGEJYDXKNJCDGM-UHFFFAOYSA-N 350.384 5.291 30 1 FKEF CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 103868310 SZIOVWAOOREOCM-BDBAMQCISA-N 359.491 5.146 30 1 FKEF C=C(CCC)C1=CC=C(CC2CCCCCCC2)[C@@H]2C=C(C3=CC=CC3)C=C12 299832537 JCHIJSKPJOYLNK-MHZLTWQESA-N 372.596 8.329 30 1 FKEF CCC(C)(C)c1ccc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)cc1 586881113 KPXZKTQVYFVLJG-UHFFFAOYSA-N 357.379 5.808 30 1 FKEF C=C(C)CO[C@@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365447 KVMQGRFQFFNGOC-HXUWFJFHSA-N 371.436 5.847 30 1 FKEF CCCCCCCCC[C@@H](C)C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527791 WPAGUMYGNGMGOQ-CTNGQTDRSA-N 370.577 7.066 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587824635 XZIUVYSIGXHYLX-FAYLSGKYSA-N 366.318 5.330 30 1 FKEF CCCCCCCCn1ccc2ccc(OCCCN3CCCC3)cc21 1857744469 KKSZYKHNTAERMR-UHFFFAOYSA-N 356.554 5.867 30 1 FKEF C=C(C)[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(OC)CC[C@@]21C)CC 2356400466 ABMLEQSWYRYDQS-BVPHUKPHSA-N 358.522 5.433 30 1 FKEF CCCCCCCCCC=CCCC(Br)=CCCCC(=O)O 2356804529 ZEWZWVPQAWIKCT-UHFFFAOYSA-N 373.375 6.997 30 1 FKEF C=CCOc1ccc2c(c1)Sc1ccccc1C(CC)=C2c1ccccc1 5509286 APQMFLLGRLEOTE-UHFFFAOYSA-N 370.517 7.085 30 1 FKEF CCC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N 28223809 SUXSVWGNGHSFNP-UHFFFAOYSA-N 357.837 5.194 30 1 FKEF O=C1/C(=C/C=C/c2ccco2)S/C(=N\c2ccccc2)N1c1ccccc1 33909195 QFWVLKOFFGZNPG-NEKVDDNCSA-N 372.449 5.644 30 1 FKEF CCCCCCCCCCC#CCOCc1cccc(CCC(=O)O)c1 36350357 PZAPBQSOWKSPBK-UHFFFAOYSA-N 358.522 5.755 30 1 FKEF CCCCCCCCCCCCCC(=O)NC[C@H](O)c1ccc(C)cc1 95580495 DFRRYSHTYBKPLR-QFIPXVFZSA-N 361.570 5.846 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c([C@@H]3CCN3C(=O)OC(C)(C)C)c(C#N)c2c1 587643205 RVUUKRCEUCUBIW-ACJLOTCBSA-N 353.466 5.235 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(OC)ccc2cc(C(C)=O)ccc12 587911426 SYWLZKBFSIWFQM-UHFFFAOYSA-N 364.828 5.113 30 1 FKEF CCCCCCCCC=CCCCCCCC1=C(O)[C@](C)(OC)OC1=O 2356671107 OIEZJKMVJYGTMT-JOCHJYFZSA-N 366.542 6.365 30 1 FKEF CCOc1ccc(NC[C@@H]2CC/C(=C\c3ccc(Cl)cc3)C2=O)cc1 5499899 QIHDKRFDEVJKDM-MAUBAPBLSA-N 355.865 5.213 30 1 FKEF CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC 197099202 QIZZORAOGOPHQF-SEYXRHQNSA-N 352.603 7.757 30 1 FKEF C=CCc1cccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 587247855 VKBPONBZKKDXFY-UHFFFAOYSA-N 369.468 5.706 30 1 FKEF C[C@](CCC#N)(c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502233 FDWOBQRUFSUAJI-VWNXMTODSA-N 359.469 5.161 30 1 FKEF C=CC[C@H](CCC=CC=CCCC=C[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC 2356451098 SSJXRCYFOOLEKV-DOIPELPJSA-N 359.579 5.976 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC=C(C)CCC=C(C)CCC=C(C)C[C@H]1OC 2356748433 FGDIMNAMJBFDNJ-IZZNHLLZSA-N 370.621 8.113 30 1 FKEF CC(C)CCCCCCC=CCCCCCCCCCCC#CC#CCO 2356798877 SYFXGIKPSRWIJJ-UHFFFAOYSA-N 372.637 7.439 30 1 FKEF CSC(=NC1CCCCC1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2356845203 OCKIIIXFIQVEPN-UHFFFAOYSA-N 361.595 6.430 30 1 FKEF C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@@H]4[C@@H](C=C[C@@H]4C)C(C(=O)O)=CC[C@H]3[C@H]12 101639407 XYGOQXIIYXSIFJ-DGHBLSDNSA-N 368.561 6.254 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccc(C)cc1)N[C@@H]2c1ccc(C)cc1 169336602 SYTQKDUUDPBAEW-RZJQCGGOSA-N 362.517 5.498 30 1 FKEF C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C 255221237 JKVXXCFZUSFYRI-ARZQSLAESA-N 369.593 5.475 30 1 FKEF CCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586991559 ONOXKIKHPUAYIS-UHFFFAOYSA-N 359.469 6.055 30 1 FKEF CCCCCCCCC[C@@H](C)C[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587479236 CNHVBOMTLYHKFM-RTBURBONSA-N 374.565 6.845 30 1 FKEF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356322210 GLUQJSAOAFURSM-GVWXLXPFSA-N 370.621 7.207 30 1 FKEF C=C[C@]1(C)CC2=C(O)C(=C)[C@]34O[C@]3(CCCC4(C)C)[C@]2(C)[C@@H](OC(C)=O)C1 2356341919 ZVOGIZLWXKVJFR-LQLJJDJVSA-N 372.505 5.010 30 1 FKEF CC[C@@H](C)CCCCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356438058 QDDWPSIPKTZOEU-SJORKVTESA-N 351.531 5.175 30 1 FKEF CCCCCCCCCCCCNC=C1N=C(c2ccc[nH]2)C=C1OC 2356516656 FDQXCPYGFLFWFX-UHFFFAOYSA-N 357.542 5.700 30 1 FKEF CCCCC=CCOC[C@@H](O)COC(=O)CCCCCCCCCC 2356579513 AQZFORIMCWMRNP-HXUWFJFHSA-N 356.547 5.184 30 1 FKEF C=C1CC[C@@H]2[C@@H](C1)c1c(OC)cc(CC[C@@H](CC)CCC)cc1OC2(C)C 89455905 PQTIXLXOFRTCMC-CEWLAPEOSA-N 370.577 7.065 30 1 FKEF C=C1CC[C@@H]2[C@@](C)(C(=O)NCCCC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1 473159316 XEXQIJKWNMVBRC-KJBBBAAKSA-N 371.565 5.907 30 1 FKEF Cc1ccoc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C#N 587625230 CKVQGBDVAGOIEM-UHFFFAOYSA-N 358.241 5.646 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2[nH]c3c(c2c1)CC(C)(C)CC3 587907665 RBQMKTRNUNFYGG-UHFFFAOYSA-N 363.888 5.745 30 1 FKEF COc1ccc([C@H]2CC(=O)C(c3ccccc3)=CN2Cc2ccccc2)cc1 199716130 YJBUXSCEUORULK-XMMPIXPASA-N 369.464 5.252 30 3 FKEF CCCCCCCOc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 44138343 VHXFOSBRVGAORU-UHFFFAOYSA-N 370.537 6.006 30 1 FKEF C=CC[N+](C)(C)CCN(C)C(=O)CCCCCCCCCCCCC 96932784 YJFPPEATRMDSFZ-UHFFFAOYSA-N 353.615 5.408 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(C)cc(Cl)c2c1 587909051 OKDPPMPRLBRJFW-UHFFFAOYSA-N 356.252 5.567 30 1 FKEF Cc1cc(Cl)cc(C)c1Oc1cnc(N)c(Nc2ccc(C#N)cc2)c1 1857647386 OCAMJNCDXFPJOW-UHFFFAOYSA-N 364.836 5.342 30 1 FKEF C=C1[C@H]2CC[C@@](C(=O)CCc3ccccc3)([C@H]2OC)[C@]1(C)C1CCCCC1 2356483627 RAUBJYHLZLPOKG-DDKRZIBASA-N 366.545 5.756 30 1 FKEF CCCCCCCCCCCCCOc1ccc(/C=C(\C)C(=O)O)cc1 43411705 ALDLQPNJVPNAIC-FMQUCBEESA-N 360.538 6.864 30 1 FKEF C=C1CC[C@@H]2C[C@H](C(=C)C)[C@@]2(C)CC[C@H](C(=C)C(=O)O)C[C@H]1CC=C(C)C 238744349 AGTGBEMIMBKQTR-JRYGSTJPSA-N 370.577 6.955 30 1 FKEF CN(C)c1ccc(C(=NNc2ccc3ccccc3c2)c2ccccc2)cc1 2356318367 KZZYRZFQNOQHCD-UHFFFAOYSA-N 365.480 5.770 30 1 FKEF O=C(c1ccccc1)n1cc(/C=N/c2ccc(Cl)cc2)c2ccccc21 73311709 HABQUBUTFCPPRO-ZVHZXABRSA-N 358.828 5.734 30 1 FKEF CCCCCCC[C@@](O)(c1cccc(Cl)c1)c1cc(F)cc(OC)c1 84672353 PSOWQBJPHSBCMA-OAQYLSRUSA-N 364.888 6.084 30 1 FKEF CCCCCCCC[C@H](C)CCCCCCCC[C@@H](O)C#CC#CCO 86052448 VJTDCONECWWPIO-BJKOFHAPSA-N 362.598 5.854 30 1 FKEF biogenic COc1ccc(Cl)cc1C#CCc1ccc(Cl)c(Br)c1 587898058 DYSYACCMWXXNTA-UHFFFAOYSA-N 370.073 5.359 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1 587906467 GXXNHQJZJFYACO-UHFFFAOYSA-N 371.864 5.120 30 1 FKEF CCCOc1cc(C(F)(F)F)ccc1C#Cc1cc(Cl)ccc1OC 587913679 BZOWZRUOCHOSFK-UHFFFAOYSA-N 368.782 5.556 30 1 FKEF Cc1c(F)ccc2c1[C@](CC#N)(c1ccc(-c3ccccc3)cc1)NCC2 962092098 MIYLBIQNRKCLBA-DEOSSOPVSA-N 356.444 5.104 30 1 FKEF CC(C)(C)c1nnc2[nH]c(-c3ccccc3)c(C#N)c(-c3ccccc3)c1-2 1772616224 FCPBSQHWJREWJR-UHFFFAOYSA-N 352.441 5.413 30 1 FKEF CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c[nH]nc2C)ccc1C 1857559090 JOPOHMHAWIRGLI-UHFFFAOYSA-N 350.853 5.377 30 1 FKEF CCCCCCCn1c(CCCC)nc(Cl)c1-c1nc2ccccc2[nH]1 1857649859 UJANFMGEQOLQRR-UHFFFAOYSA-N 372.944 6.393 30 1 FKEF C[C@H](C=O)CCCCCCCCC[C@H](/C=C/C(=O)O)Cc1cccc(O)c1 85510562 PFMPFULBSCQREW-PPQGUHKJSA-N 374.521 5.538 30 1 FKEF biogenic,in-vitro CCCCCC/C=C\CCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 103284881 IMXHPKHAMOJQHL-HJWRWDBZSA-N 362.510 5.738 30 1 FKEF CCCCCCCCC[C@H](O)C#CC#C[C@@H](O)CCCCCCCCC 141830974 WJIOWBUXVUOPKR-ZEQRLZLVSA-N 362.598 5.996 30 1 FKEF CCCc1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626616 YBOBLVIGVOSTCH-UHFFFAOYSA-N 363.223 6.177 30 1 FKEF CC(=O)OC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 2356313433 ZDJFZKKZRYIOJS-JSUUBPFUSA-N 372.549 5.190 30 1 FKEF C[C@@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 2356517179 AIWMJAGAGKKIFO-AOEZPDJKSA-N 368.517 5.187 30 1 FKEF C=C1CC[C@@H]2C(C)(C)C[C@H](OC(C)=O)C[C@]2(C)[C@@H]1CCC(C)=CC(=O)O 2356585595 VMWOMELLRUSCGH-JZJXAQOMSA-N 362.510 5.138 30 1 FKEF N#CCCn1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1=S 13826717 YSNJMYFEGNHYLV-UHFFFAOYSA-N 371.849 5.019 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)CCCC3(O)CCCC3)s2)s1 85592373 LZBNNJFNBRTJTG-UHFFFAOYSA-N 358.528 5.506 30 1 FKEF biogenic,in-vitro C#Cc1c(-c2ccc(-c3ccccc3)cc2)oc2cc(O)c(C(=O)O)cc12 96272282 LLOLYYJHYGHTOY-UHFFFAOYSA-N 354.361 5.152 30 1 FKEF COc1ccc(/C=C/C(O)=C/C(=O)/C=C/C2=C(C)CCCC2(C)C)cc1O 101798086 OLLFLKCCWXEXLE-QPDYONAKSA-N 368.473 5.508 30 1 FKEF CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(CC)cc1 103993973 GPUSAZCZTULODA-HWNIBJRTSA-N 367.489 5.401 30 1 FKEF CC/C=N/c1c(N(C(C)=O)c2cccc(F)c2)c(O)c2ccccc2c1O 169686954 FZEWUECVJBSJLJ-FOKLQQMPSA-N 366.392 5.187 30 1 FKEF CCCCCCCCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524121 KDOQMCLHEOAIOK-OAQYLSRUSA-N 370.577 7.210 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2oc3ccccc3c(=O)c2c1 587909603 ZYHPEHWPDFJYET-UHFFFAOYSA-N 360.796 5.008 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2cccc(Br)c2n1 587912978 DSLSXGZJCNXTHB-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF N#Cc1ccc(-c2csc(-c3ccc(C(N)=S)c4ccccc34)n2)cc1 587921764 XVAFSHGZKVXNPQ-UHFFFAOYSA-N 371.490 5.136 30 1 FKEF CC#CCCCCCCCc1nc2cc(Br)cc(F)c2[nH]1 587957187 RZIQJFFIWJQBBP-UHFFFAOYSA-N 351.263 5.371 30 1 FKEF CCCCCCCCCCCCCCCC[n+]1ccc2c(O)cccc2c1 653692100 FJRPOQZVQDUAEU-UHFFFAOYSA-O 370.601 7.314 30 1 FKEF CCCCCCCCCCCCCC(=O)NC[C@@H](O)c1ccc(C)cc1 95580496 DFRRYSHTYBKPLR-JOCHJYFZSA-N 361.570 5.846 30 1 FKEF CCC[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 101505017 LNLHXQQVDKSMLL-WLIHWCKTSA-N 373.564 5.684 30 1 FKEF C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)COC(=O)c1ccc(OC)cc1 222891128 RXJLCSLDOOBXMN-UNWVZKJWSA-N 354.490 5.593 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(CNCc2ccccc2)cc1 587906055 QEQFCGSSTFCEHC-UHFFFAOYSA-N 361.872 5.038 30 1 FKEF O=C1/C(=C/c2ccccc2)CCC/C1=C\c1ccccc1Br 1857647309 QIQYOMACZBMWTJ-HBKJEHTGSA-N 353.259 5.669 30 1 FKEF CCCCCCCCCCn1cc2c(N)nc(-c3ccccc3)nc2n1 43470144 LGCYBAJAYJURHD-UHFFFAOYSA-N 351.498 5.216 30 1 FKEF CCCCCCCCCC[C@H]1O[C@H]1C/C=C\CCCCCCC(=O)O 44221559 CMJHJUSFUKWYHF-IRCRLRJOSA-N 352.559 6.656 30 1 FKEF CCCCCCCCOC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169321553 MPVLPIQMXJGQFG-FMHUSIEFSA-N 366.542 5.358 30 1 FKEF C=CCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC 587521492 DBKWBLHNAIOAQZ-HSZRJFAPSA-N 362.469 5.399 30 1 FKEF CCCCCCC[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599961 JMCBEUKMSVTYOW-OFNKIYASSA-N 368.473 5.863 30 1 FKEF C[C@]1(c2ccc(S)cc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963192226 QJXDPUKSDOLOIC-ZEQRLZLVSA-N 370.521 5.362 30 1 FKEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772645361 VKTLHHJWBGZZJJ-QXKUMGLLSA-N 369.593 5.619 30 1 FKEF COC1=C(C)C(=O)[C@]2(CC=C(CCC=C(C)C)C[C@@H]2C(C)C)C(=O)C1(C)C 2356746197 BZYZIWKMUTYFDN-NTKDMRAZSA-N 372.549 5.810 30 1 FKEF CS/C(=N\c1cc(Cl)ccc1Cl)[C@H](C#N)C(=O)c1ccco1 13657980 HJWLCQSMTQYYDR-AXSZXEJASA-N 353.230 5.002 30 1 FKEF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1F 1911580683 XIAFPYQFJHMGCE-FOCLMDBBSA-N 367.423 6.245 30 1 FKEF CCCCCCCCCCCCCCCC(=O)OC=Cc1ccc(O)cc1 2356715306 VCPLGYKRALCFJC-UHFFFAOYSA-N 374.565 7.387 30 1 FKEF C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1c1c(O)cc(C(C)(C)CCCCCC)cc1O 28569458 IRHTZHGXQIWQNQ-GIVPXCGWSA-N 372.593 7.442 30 1 FKEF COc1cccc2c1CCC/C2=N/Nc1nc(-c2ccc(F)cc2)cs1 101996527 MYVIBWYRUWCRIE-QJOMJCCJSA-N 367.449 5.110 30 1 FKEF CCCCCCCCCCCCCCCCCCCC(=O)NCCF 102186566 DDRMSVFOQONMHK-UHFFFAOYSA-N 357.598 7.114 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587067430 ZQTYLDNAIFPZMZ-UHFFFAOYSA-N 368.827 5.021 30 1 FKEF CCCCCCCCCCc1ccc(Nc2nc(C)c(O)c(C)c2C)cc1 1772631392 UTAFEHGRLRXBRX-UHFFFAOYSA-N 368.565 7.139 30 1 FKEF CCCCCCCCCCCCCc1c(O)c(OC)cc(O)c1OC 1772644468 STGDPYFIKOIHRA-UHFFFAOYSA-N 352.515 5.969 30 1 FKEF CC(C)(C)CC(=O)C=C1Nc2ccccc2NC1=CC(=O)CC(C)(C)C 2356855209 RANMXTKETIAFKY-UHFFFAOYSA-N 354.494 5.302 30 1 FKEF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 13650898 AJLVFMYGVRSQRI-JMTTVTNBSA-N 372.508 5.031 30 1 FKEF O=C(c1ccccc1)c1ccccc1/N=C/c1c(O)ccc2ccccc12 109554131 SKOYARAYCWXPSN-PCLIKHOPSA-N 351.405 5.527 30 1 FKEF CCCCCCCC(=O)NCCCc1nc2cccc(C(C)(C)C)c2[nH]1 587228068 HNRQBVJRXSELIN-UHFFFAOYSA-N 357.542 5.270 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@H](N)C2CC2)c2ccccc12 587910379 XSFCXMKLUQPXKG-HSZRJFAPSA-N 361.872 5.311 30 1 FKEF O=C[C@H](SCc1ccccc1)[C@H]1NCCc2cccc(-c3ccccc3)c21 962659911 BDIZAUOTWRVUJH-LADGPHEKSA-N 373.521 5.041 30 1 FKEF N=C(C[C@@H](O)c1cc2ccccc2c2ccccc12)NN=C1CCCCCC1 1772614603 XVGVDQPFXGSJNO-HSZRJFAPSA-N 373.500 5.694 30 1 FKEF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C=O)C1 1857630764 PSHFPHZGNDYMPD-SZCYIGQKSA-N 372.549 5.332 30 1 FKEF C[C@H](c1ccc2oc(-c3ccccc3)cc2c1)N(O)C(=O)c1cccs1 13738958 LMYKQFHWEXWQIL-CQSZACIVSA-N 363.438 5.754 30 1 FKEF CSc1cccc(C/N=C(\S)NCc2ccc(C(C)(C)C)cc2)c1 28461653 WYHUXLZANWVNPS-UHFFFAOYSA-N 358.576 5.282 30 1 FKEF N#Cc1c(-c2cccnc2)c(NCCc2ccccc2)n2c(Cl)cccc12 36185218 NMUODGGIMMPTCP-UHFFFAOYSA-N 372.859 5.181 30 1 FKEF CCCCCCCCCCN1CCC(C(=O)CC)(c2cccc(O)c2)CC1 43300145 ZTJJECSMGGPEFY-UHFFFAOYSA-N 373.581 5.846 30 1 FKEF CCCCCCCC[C@](C)(CCCC)OC(=O)c1cnc(Cl)cn1 43352681 DPEVHOCINYGPLP-IBGZPJMESA-N 354.922 5.986 30 1 FKEF N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 45257709 MQCQYXOFWXZJOA-UHFFFAOYSA-N 372.815 5.007 30 1 FKEF CCCCCCCC/C=C/CCCCCCCCCCCCC(=O)O 96023477 BRCMIDDAOIVEAZ-MDZDMXLPSA-N 352.603 8.059 30 1 FKEF CCCCCCCCCC/C=C\CCCCCCOC(=O)CC(C)C 148263209 VTXMDNJUVHLJDK-YPKPFQOOSA-N 352.603 7.613 30 1 FKEF C=CCOc1ccc(Cl)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587460947 HVOWDSYUAQOSAE-HXUWFJFHSA-N 372.848 5.269 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)c2ccc(C)cc2)c1 587904555 PTTUWCXJWVMGRH-UHFFFAOYSA-N 360.840 5.288 30 1 FKEF Fc1ccccc1CO/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 653688019 UESAILKPJNGMJW-MFKUBSTISA-N 371.415 5.229 30 1 FKEF C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 40957298 KRIKEQPXWUJINC-GODZOQJBSA-N 354.306 6.095 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)/C=C/[C@@H]1O[C@@H]1C(=O)O 44430561 LOPUOQXRVYARTM-COQVAWENSA-N 366.542 5.835 30 1 FKEF C=CCN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@@H](C)[C@@H]1c1ccc(Cl)cc1 95574906 XFTLJSZGJCBORG-XWRIVVANSA-N 374.311 5.873 30 1 FKEF CCCCCCCCc1ccc(C(=O)Nc2ccc(CCO)cc2)cc1 103275282 IYCAVPSLACNXBD-UHFFFAOYSA-N 353.506 5.377 30 1 FKEF N#Cc1cccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)c1 144752276 FDVIKSFIFSVKGL-FQEVSTJZSA-N 351.327 5.004 30 1 FKEF CO/N=C1\[C@@H]2CCC[C@]1(C)[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 169320357 VTOAEHWHEKFQCU-VXSHLAKTSA-N 370.443 5.159 30 1 FKEF CCCCCCCCCCCCCCCC(=O)O[C@@H](CC)[C@@H](C)CCC 169622420 ZQMFEFNLIVRCJO-GOTSBHOMSA-N 368.646 8.226 30 1 FKEF COC1=C(C)C(=O)C2=C(O[C@]3(CC[C@@H]4C[C@H]3C4(C)C)C[C@H]2C(C)C)C1(C)C 238780120 VKVODVHJICFEHK-LOEAVSEUSA-N 372.549 5.657 30 1 FKEF CCCCCCCCCCCC(=O)Nc1ccc2oc3c(c2c1)CCCC3 299869238 UIILPMZEYOJORE-UHFFFAOYSA-N 369.549 7.171 30 1 FKEF C#C[C@]1(O)CC[C@@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@@H]3CC[C@@]21C 299872531 PWZUUYSISTUNDW-GIDFYXQGSA-N 364.529 5.228 30 1 FKEF N#Cc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1C(F)(F)F 587112942 MMPZGGPZDYWGRO-UHFFFAOYSA-N 355.241 5.139 30 1 FKEF O=C(/C=C/c1ccccc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629137 VZCZNOFLTYMXOW-VOTSOKGWSA-N 367.729 5.875 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(OCc2ccccc2)ccc1C 587901519 GWHIKCHLQHFDIV-UHFFFAOYSA-N 362.856 5.636 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(C)(C)c1ccccc1-2 587908707 HEWOLZYFOCXLIW-UHFFFAOYSA-N 358.868 6.055 30 1 FKEF N#Cc1nc(Cl)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587950771 URJDGYNTAWUIRD-KHPPLWFESA-N 372.815 5.446 30 1 FKEF N#Cc1c(-c2ccccc2)[nH]c2nnc(-c3cccc(Cl)c3)c-2c1C1CC1 1772639369 NGXLNVSVVQPEMX-UHFFFAOYSA-N 370.843 5.646 30 1 FKEF C=CCc1ccc(O)c(-c2cc(CC=C)cc(CN3CCCCC3)c2O)c1 1857759191 VZWHEQQELKIBJO-UHFFFAOYSA-N 363.501 5.208 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(OC)OC 2356403109 ZLHIOIIUQWUZEK-ZUGKTHCQSA-N 366.542 5.275 30 1 FKEF CC(C)Cc1ccc([C@@H](C)/C=C2\CC[C@@H](CN3CCCCC3)C2=O)cc1 5808570 ZKLVNVLQZNFKHL-UGQBPZGESA-N 353.550 5.380 30 1 FKEF C#CC[C@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OC)=C(C)C1=O 26826284 MEQFYCQFBYEFEX-KYCHYIBFSA-N 366.501 5.119 30 1 FKEF CCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O 95591992 LCPFEOCTEOJBTJ-UHFFFAOYSA-N 358.547 6.604 30 1 FKEF C/N=C(/Nc1ccc(OC)c(CSC2CCCC2)c1)c1cccs1 169352368 HEWBOAJFYPRKLD-UHFFFAOYSA-N 360.548 5.421 30 1 FKEF C=CCc1c(CCC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366645 XXSUVFSNSUSRMU-UHFFFAOYSA-N 357.453 6.338 30 1 FKEF Cc1ccc(C(=O)/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587965083 GTLRABIQCNSKRC-BUHFOSPRSA-N 370.477 5.919 30 1 FKEF C=CCC[C@H](C)C(=O)[C@@H](C)C[C@@H](C)NC(=O)CCCC(=CCl)CCC 2356594945 MTSIKQYOKFAJKC-OKZBNKHCSA-N 369.977 5.782 30 1 FKEF CC(C)(C)/N=C\N(C=C(c1ccccc1)c1ccccc1)C1CCCCC1 17187190 YCPJMVRLWPQQBI-QOMWVZHYSA-N 360.545 6.537 30 1 FKEF CCCCCN(CCCCC)CCC/N=C1/C=C(O)C(=O)c2ccccc21 100951706 IWSMAFKUXRNKCF-FLFQWRMESA-N 370.537 5.186 30 1 FKEF CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)c2O)O1 299819968 DSYGKEDDWNCOMV-WEVVVXLNSA-N 374.358 5.491 30 1 FKEF C[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587097945 LTCYJSZSCDBIBJ-ZCFIWIBFSA-N 362.248 5.290 30 1 FKEF CCCCC#Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523401 IJKMXNLFJCPLHS-DEOSSOPVSA-N 358.481 5.814 30 1 FKEF C=C(C)[C@@H]1CC=C(C)[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819940 XKICRSWZRAFPJK-OHNRDTAOSA-N 364.302 5.250 30 1 FKEF CCCCCCCCC=CCCCCC[C@H](O)Cc1cc(O)ccc1O 2356743000 SYEWMKBCQCNFPV-NRFANRHFSA-N 362.554 6.259 30 1 FKEF C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@@H]3CC[C@@]21C 11592752 PWZUUYSISTUNDW-YCXOGWGTSA-N 364.529 5.228 30 3 FKEF in-man Cc1ccc2nc(N/N=C\c3ccccc3F)nc(-c3ccccc3)c2c1 34863525 MCRHAWAHRVOUOI-OYKKKHCWSA-N 356.404 5.190 30 1 FKEF C[C@H]1CC[C@H](C(C)(C)S)c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208902 FJILYQDDFYONED-GUYCJALGSA-N 373.521 6.136 30 1 FKEF N#Cc1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783723 FSANATFRDFMFHH-SDNWHVSQSA-N 351.409 5.184 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(O)c(/C=C/C(=O)OCC)c1)CCC=C(C)C 653720279 QRIILEHXDCLPBT-OLDAMUIMSA-N 354.490 5.920 30 1 FKEF CCCCCCCCn1cnc2c3ccccc3c3c(c21)CCC(C)(C)O3 1857765362 VKVNGGXMZPOJMJ-UHFFFAOYSA-N 364.533 6.654 30 1 FKEF C=C1CCC=C2CC[C@H]3C(=C)CC[C@H]([C@H](C)CCC=C(C)CO)[C@@H]3[C@@H]1C2 2356600684 UTURTWRYGLGHFA-OYQVZKCKSA-N 354.578 6.616 30 1 FKEF C=C(C)C[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29410624 FHLKKLFFTNPJKR-HXUWFJFHSA-N 361.485 6.369 30 1 FKEF O=C(O)c1cc(N/N=C\c2ccc(-c3ccccc3)cc2)ccc1Cl 33392933 RGQSZFCJTLRELQ-XKZIYDEJSA-N 350.805 5.151 30 1 FKEF N#Cc1ccccc1-c1cc(-c2ccccc2F)cn(-c2ccccc2)c1=O 34030944 DRCIUZZYDGCZKC-UHFFFAOYSA-N 366.395 5.182 30 1 FKEF CCCCCCCCCCCCC/C=C1\C[C@](CO)(COCC)OC1=O 34800458 ZPFFKORTIDVBPN-PTMWEUFISA-N 368.558 5.328 30 1 FKEF CCCCCCC[C@@H](C/C=C/CCC(=O)NCCc1ccccc1)OC 49881745 VPNLGLXHRKAYHD-UBQCRTFRSA-N 359.554 5.447 30 1 FKEF CCCCCCCCCCCCCCCCn1cc[n+](C2CCCC2)c1 72112209 BTEJITISMBSSPC-UHFFFAOYSA-N 361.638 7.372 30 1 FKEF O/N=C(\Nc1ccccc1)c1ccc(Oc2ccc3ccccc3c2)nc1 72182576 LUMRTRIRAGSZDN-UHFFFAOYSA-N 355.397 5.275 30 1 FKEF CCCCCCC(=O)C1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 103189350 IXBNQKKHWPBEMJ-UHFFFAOYSA-N 368.517 5.775 30 1 FKEF CCCCCCC#C[C@@H](c1ccc2c(c1)CCC(C)(C)O2)N1CCOCC1 103208421 JJJACVWYHCXLPP-QFIPXVFZSA-N 369.549 5.137 30 1 FKEF CC(C)C1=CC[C@H](CSc2ccc3ccccc3c2)[C@@]12C=CC(=O)CC2 653796683 UFAQIOAUYBNIFT-YKSBVNFPSA-N 362.538 6.440 30 1 FKEF CS/C(=C/C(=O)/C=C/C1=C(C)CCCC1(C)C)Nc1cccc(F)c1 28707644 WESFOUDWJIVOBY-KCIHDACCSA-N 359.510 6.094 30 1 FKEF O=C1/C(=C\N=N\c2ccc(Cl)cc2)Nc2ccc(Br)cc21 49072899 HTLYHBXULCBZEA-LYQDZYHDSA-N 362.614 5.336 30 1 FKEF CCCCCCCCCCCCCCCCSCC(=O)C(F)(F)F 103188615 VHTGFIQRJRTIGI-UHFFFAOYSA-N 368.549 7.332 30 1 FKEF N#Cc1ccc2c(C(=O)c3c(Cl)cc(Cl)cc3Cl)coc2c1 587278323 OODCTUNKNICPEZ-UHFFFAOYSA-N 350.588 5.496 30 1 FKEF CCCCCCCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399847 KMSACQBWWIJXSX-JOCHJYFZSA-N 367.489 5.633 30 1 FKEF N#CC[C@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505129 KLCDMVKUXPVVKQ-OAQYLSRUSA-N 369.823 5.132 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@H]1c1c(O)cccc1Cl 963194873 UOHOPLCIOQVZQI-NFBKMPQASA-N 374.871 5.258 30 1 FKEF C#CC[C@@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OC)=C(C)C1=O 26826289 MEQFYCQFBYEFEX-OQPJKTNTSA-N 366.501 5.119 30 1 FKEF CCCCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 36351965 LTHZASJBAIGTJL-UHFFFAOYSA-N 374.528 6.780 30 1 FKEF in-vivo CCCCCCCCO[C@@H]1c2cc(Cl)ccc2OC[C@@H]1n1ccnc1 43379650 SWSUELLDBCHFTF-AZUAARDMSA-N 362.901 5.588 30 1 FKEF C[C@@H]1CC[C@@H](C)N1/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1 72180534 WAONTIKSSFUZFU-UQKIUFHVSA-N 361.445 5.036 30 1 FKEF N#Cc1c(O)nc(SCc2c(Cl)cccc2Cl)c2c1CCCC2 73141202 DOPIZSIRENHKND-UHFFFAOYSA-N 365.285 5.137 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)CCC[C@@H](O)CCCCC)s2)s1 85592375 PUBIZFHLVTXAMD-INIZCTEOSA-N 374.571 6.142 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCCCCCc1c(C)n(O)c(C)cc1=O 95582751 UXCGLKFAGGSDFL-UHFFFAOYSA-N 363.586 6.726 30 1 FKEF Oc1c(/C=N/Cc2ccccc2)c2ccccc2n1-c1cccc(Cl)c1 100915522 PYBGRCXMYWWVOI-BUVRLJJBSA-N 360.844 5.609 30 1 FKEF C=C1CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O 238741135 ULWOIBVJYLRVQJ-FGMDPLJJSA-N 362.510 5.140 30 1 FKEF N#CC[C@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587506966 PJCXCZHINYAJKD-RUZDIDTESA-N 371.480 5.219 30 1 FKEF CCCCCCCCCCCCCCCCCC(=O)C[C@@H](O)CCCC 85922170 QQVTXKCJJWFFGH-QHCPKHFHSA-N 368.646 7.758 30 1 FKEF endogenous,in-man CCCCCCC/C=C/CCCCCCCCCCCCCCC=O 102186472 HOBQENZEXQZHDQ-CMDGGOBGSA-N 350.631 8.563 30 1 FKEF CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)s1 104082100 RMYRSPAHEZDRJP-BDBAMQCISA-N 359.491 5.064 30 1 FKEF CC1=C2CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O 141015000 XGYZJTLDUZNVHD-CQFZSQIPSA-N 361.529 5.997 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(C(=O)OCC)o1 169337729 FVABHMGWHFHIGA-UHFFFAOYSA-N 352.515 6.536 30 1 FKEF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(C#N)ccc4[nH]3)cc2)cc1 587196346 SWOYPONKWQYMRK-UHFFFAOYSA-N 366.428 5.583 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(Oc2ccc(C=O)cc2)c1 587905430 UKYYADCUGGWKMR-UHFFFAOYSA-N 362.812 5.353 30 1 FKEF CCCCC[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 1857577462 AQUSBQUOURZUPB-KRWDZBQOSA-N 366.505 5.014 30 1 FKEF C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1c1c(O)cc(C(C)(C)CCCCCC)cc1O 28569457 IRHTZHGXQIWQNQ-HLAWJBBLSA-N 372.593 7.442 30 1 FKEF C=CC[C@H](Nc1ccc(OC)cc1)c1cn(C(=O)OCC)c2ccccc12 28646669 RRBFKAGUKIDUCF-FQEVSTJZSA-N 364.445 5.384 30 1 FKEF CC(C)=N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C=N[C@@H](C)[C@H]2CC[C@@H]34)C1 238735349 DRZFZXHDHUZWHI-MYAJQUOBSA-N 352.566 5.868 30 1 FKEF C=CCc1cccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c12 587139814 YEVWBZROIQEPPJ-UHFFFAOYSA-N 370.427 5.967 30 1 FKEF CCCCCCCCCCCCC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587402424 COSLURFVERLMKN-XMMPIXPASA-N 373.581 7.002 30 1 FKEF C=C1CC([C@@]2(C3CCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587819371 MCHREGRZLPHCLU-CWTRNNRKSA-N 364.302 5.084 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(C(=O)c2ccccc2)cc1 587897956 BPVHSZKXTRXSBW-UHFFFAOYSA-N 360.840 5.174 30 1 FKEF CC[C@]1(c2ccsc2C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963183823 BWVYNEQRJVDIBB-ZEQRLZLVSA-N 372.537 5.833 30 1 FKEF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC#N)CCc1ccc(OC)cc1 963241857 OBBRKKGVPALZKD-NTKDMRAZSA-N 362.517 5.094 30 1 FKEF CCCCCCC[C@@]1(CCCC)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963489538 HSCFSJIQPWZXLH-PGRDOPGGSA-N 361.526 5.046 30 1 FKEF CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(C)c(C)c3)ccc21 1857746000 KOIFZHUMCXJYHK-SDNWHVSQSA-N 353.465 6.327 30 1 FKEF CC(=O)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356647610 CIPWTUUCAJDQRQ-NBBZXPJASA-N 368.561 5.916 30 1 FKEF CCCCCCCCC[C@H](C)CCC/C(O)=C1\C(=O)[C@H](C)N(C)C1=O 100090414 WGGHNDTUKMWTHN-BQLSZWSRSA-N 351.531 5.175 30 1 FKEF in-vitro C[C@]12CCC(=O)C=C1C=C(c1ccccc1)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 1857560452 OPLIQEAVVVBVAF-AXWOKOBESA-N 360.497 5.391 30 1 FKEF C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]21C)OC(=C)C 2356688151 QFEPEWCZGTYFET-GTWWNFFPSA-N 360.538 6.125 30 1 FKEF C[C@H]1c2c([nH]c3ccccc23)C2=C(CC(C)(C)CC2=O)N1Nc1ccccc1 2356825650 HTKMUVPMTYUHKN-HNNXBMFYSA-N 371.484 5.672 30 1 FKEF CC1(C)CCSc2ccc(C(=O)/C=C/c3ccc(C(=O)O)cc3)cc21 27896155 AVAIGQSZGMIACK-WEVVVXLNSA-N 352.455 5.054 30 1 FKEF COC(=O)CCCC#CC#C/C=C/CCCCCC/C=C/Br 34136735 UHBHNXZLILDFLM-GSQCLYJKSA-N 365.311 5.142 30 1 FKEF C=CC[C@H]1C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CCN1C 49113398 MHROCVUJKBEOQM-NRFANRHFSA-N 373.475 5.546 30 1 FKEF C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141923412 FRSPDRIARDOSKB-LRWAOKPRSA-N 359.513 5.463 30 1 FKEF CCCCCCCCCCCCCCCC=C1C(=O)O[C@](C)(O)[C@H]1O 2356511722 NFTRQOSKSNZQCQ-FPOVZHCZSA-N 354.531 5.020 30 1 FKEF C=CCOc1ccc2c(c1)Oc1ccccc1C(CC)=C2c1ccccc1 5509281 FLHHKPBRUGMVKM-UHFFFAOYSA-N 354.449 6.726 30 1 FKEF CC(C)(C)CC(C(=O)Nc1ccccc1F)(C(F)(F)F)C(F)(F)F 68574841 LKVIGIIRAYUZPP-UHFFFAOYSA-N 359.285 5.311 30 1 FKEF biogenic COc1ccc(Cl)cc1C#Cc1coc2ccc(Br)cc12 587911624 LRBSDZLPGLUQJR-UHFFFAOYSA-N 361.622 5.257 30 1 FKEF C[C@@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356488555 RDEAHSQXFDTFBM-AOEZPDJKSA-N 368.517 5.187 30 1 FKEF CCCCC[C@H](F)C=C[C@@H]1CCC(=NO)[C@H]1CCCCCCC(=O)O 2356732632 LQQORSBLZLAVKX-SQNIBIBYSA-N 355.494 5.743 30 1 FKEF CCCC[C@H](C)CCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356857964 SOJRDBWVSDEOFR-DLBZAZTESA-N 351.531 5.175 30 1 FKEF C#CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC#C 43242348 ZFMFZTOEMOMUMG-LQEDCYEGSA-N 350.590 7.939 30 1 FKEF CCCCCC/C=C\C[C@H](CCC(C)C)CC[C@H](CCN)CCC(=O)O 85506047 IKGZORJBSFBHSK-YFKVPUFHSA-N 367.618 6.566 30 1 FKEF biogenic,in-vitro CCOc1ccc2c(c1)C=C/C(=C/C=C1\C=C(C)c3cccnc3C1=O)N2C 101680219 VWLPEJSPURQONM-LYCWIXAWSA-N 370.452 5.053 30 1 FKEF CC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccccc1Cl 473247936 JUDOXZAMFBUSFU-SFHVURJKSA-N 354.862 5.226 30 1 FKEF C=C1[C@H]2Oc3cc(C(C)(C)CCCCCC)cc(O)c3[C@H]2[C@H]2C[C@@H]1C2(C)C 25985442 XDKSOXFRBATANJ-BJJLKGPWSA-N 368.561 6.717 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC(N)(CO)CO 38154238 QVVLIPFVCINIAE-UHFFFAOYSA-N 371.650 6.100 30 1 FKEF C[C@H](/C=C\C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 139913328 KLZYXWJPRWEJSX-SOHPFERFSA-N 370.533 5.411 30 1 FKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@](C)(COC(=O)CC(=O)O)CCC[C@@]32C)C1 238736262 MDEBRCINDGZVPW-HYEPPUOFSA-N 374.521 5.140 30 1 FKEF CCCCCCCCC[C@@H](C)[C@@H]1OCc2c(/C=C/C(C)=O)cnc(C)c2O1 1857773823 DPIOIILZMBLZMJ-KLYVNMRFSA-N 373.537 6.004 30 1 FKEF C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(-c2cccc3ccccc23)cc1O 28572053 VEVIHFDYDQIEBJ-NZQKXSOJSA-N 370.492 6.934 30 1 FKEF CCCCCCCCCCCCc1c(CC)nc2cccc3c2c1CC3 587214167 POBGOFNNDZTRJJ-UHFFFAOYSA-N 351.578 7.359 30 1 FKEF N#Cc1cccc(-c2c(-c3ccc(Cl)nc3)[nH]c3c(C(=O)O)cccc23)c1 587638557 NMUOZIUBTSJIQY-UHFFFAOYSA-N 373.799 5.120 30 1 FKEF O=C(C1=C(O)/C(=C/c2ccccc2Br)CCC1)c1ccccc1 653882112 DGSBSZCEDIDSPQ-DTQAZKPQSA-N 369.258 5.711 30 1 FKEF CCCCCCCCCCCCCCCCCCC[C@@H](CC(=O)O)OC 85845655 KSGSTJWFQSWMDL-QFIPXVFZSA-N 370.618 7.518 30 1 FKEF biogenic CCCCCCCCCCCCCCC[C@H](O)CC(=O)CCCCC 86001444 NZLZNQVVYRRAAH-QHCPKHFHSA-N 354.619 7.368 30 1 FKEF endogenous,in-man O=C(/C=C/c1cc2ccccc2nc1Cl)c1ccc(C(F)(F)F)cc1 40504565 MVODWWZKOWDPLW-JXMROGBWSA-N 361.750 5.803 30 1 FKEF CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66262596 JLWFBZYFNHQSDC-DXSQJRSRSA-N 352.518 5.029 30 1 FKEF O=C(/C=C/c1ccc(F)cc1)/C=C/c1ccccc1OCc1ccccc1 169322188 XGFPDFKLQUKWLW-UNZYHPAISA-N 358.412 5.700 30 1 FKEF Cc1ccc(CO/N=C2/C(c3c[nH]c4ccccc34)=Nc3ccccc32)cc1 299856909 DFBNVPLWDGDEBO-SOYKGTTHSA-N 365.436 5.532 30 1 FKEF N#Cc1cc(F)ccc1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 587157582 BJVNCZKDUOOWBO-UHFFFAOYSA-N 370.412 5.517 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1CC(=O)c1ccc(C)cc1 587901416 BMAHVTGGHFNQSB-UHFFFAOYSA-N 374.867 5.482 30 1 FKEF C[C@]1([C@H](C#N)c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963090127 IEMHXUHVSCBTGA-UEXGIBASSA-N 354.856 5.022 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCc1occc1COC(C)=O 2356727687 RKLNNMGJYWCKNZ-WPYKKVEZSA-N 358.522 6.074 30 1 FKEF CC[C@H](C)/N=C(\O)c1ccc(Sc2ccc(F)cc2)c(/N=C(\C)O)c1 3048850 HUCDHECZQUQAAA-LBPRGKRZSA-N 360.454 5.688 30 1 FKEF CCOC(=O)[C@](C)(C#N)[C@@H](c1ccccc1OC)c1cccc2ccccc12 28865615 CBUZULIIAXHASW-ISKFKSNPSA-N 373.452 5.073 30 1 FKEF C=C[C@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(COC(=O)CC(=O)O)CCC[C@@]23C)C1 32090387 ADRMEPMWXLEIKU-RETDLFGGSA-N 374.521 5.140 30 1 FKEF CC[C@@H](C)n1ccnc1/C=C1\CCC/C(=C\c2nccn2[C@H](C)CC)C1=O 103250923 ZHMBDSATUDSMDI-XUSHNXLASA-N 366.509 5.242 30 1 FKEF CCCCCCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587206588 FOLUMVJUVQJJCG-UHFFFAOYSA-N 357.497 6.739 30 1 FKEF CCCCCCCCCCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444291 CMILJFZXNPHMRY-VQTJNVASSA-N 358.522 6.122 30 1 FKEF N#Cc1c(-c2cc3cc(Br)ccc3o2)[nH]c2cccc(F)c12 587632215 GKOHXMSSDLXAKN-UHFFFAOYSA-N 355.166 5.354 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ncc(C(C)(C)C)o2)cc1 587906738 QOLYWBPMKAFTBN-UHFFFAOYSA-N 365.860 5.701 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)C1=CC=C2c1ccc(F)nc1 1772635394 OHGWKZFYUSSTQG-INDWIESVSA-N 363.476 5.666 30 1 FKEF C=C1[C@H](O)C[C@@H]2[C@H]([C@H](C)CCC=C(C)C)CC[C@]2(C)C[C@@H]2[C@H]1CC[C@]2(C)O 2356805698 VJXQNKJJJZPJGN-ZWBWXRCLSA-N 374.609 5.890 30 1 FKEF Cc1nc2cc(-c3ccc(OCc4ccccc4)c(C#N)c3)ccc2s1 49785702 GGOPQZHINXTGIV-UHFFFAOYSA-N 356.450 5.722 30 1 FKEF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(C#N)c2[nH]1 587014913 UDXLNKWOKHRVKA-UHFFFAOYSA-N 350.834 5.187 30 1 FKEF N#CC[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530808 HRPRWPXSNMYCRH-LJQANCHMSA-N 357.862 5.055 30 1 FKEF N#Cc1ccc(-c2csc(-c3ccccc3NC(=O)c3ccco3)n2)cc1 587921534 CQCBZMPVKHKOOA-UHFFFAOYSA-N 371.421 5.194 30 1 FKEF N#Cc1ccc(-c2csc(-c3c4ccccc4cc4ccccc34)n2)cc1 587921678 QNWRUYRWPDZLON-UHFFFAOYSA-N 362.457 6.655 30 1 FKEF COc1ccc(COc2cccc3c2C(=O)/C(=C/c2ccc(C)cc2)C3)cc1 1857634231 ULKGHOPPBOGSDP-KGENOOAVSA-N 370.448 5.405 30 1 FKEF CSC(=S)N/N=C1\CC2(CCCCC2)Oc2c1ccc1ccccc21 1857650643 OQFQEMPHEMTSOE-HEHNFIMWSA-N 370.543 5.267 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H](C(C)C)[C@H](O)C[C@@]3(C)CC=C(C)CC[C@H]12 2356380977 XFTVUNNLOZHXIM-DJBJKVAOSA-N 356.594 6.695 30 1 FKEF C=C(CNC(=O)CCCCCCCCCCCC[C@@H](C)CC)C(=O)O 2356854247 RNARRHCVJDRUQR-SFHVURJKSA-N 353.547 5.471 30 1 FKEF C=CCc1cccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587271567 GGKQTFLMIASOEZ-UHFFFAOYSA-N 371.396 5.659 30 1 FKEF COc1cccc(-c2c(C)c(C(C)(C)C=O)nc3c2oc2ccccc23)c1 587364467 ANLSLKMLFYHQBC-UHFFFAOYSA-N 359.425 5.442 30 1 FKEF CCCCCCCCCCC[C@]1(CC)NCCc2c1c(C(C)C)nn2C 962907750 IPMHRIGPXFZDPY-QHCPKHFHSA-N 361.618 6.215 30 1 FKEF C=C(C[C@@H](O)CC(C)C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC[C@@H]3[C@](C)(O)CC[C@@H]12 238764775 ZTTPPDZFKVLMFX-YCHLROQCSA-N 374.609 5.890 30 1 FKEF C=C(/C=C/C=C\C=C(/C)C=C(C)C)Cc1ccc(C(=O)O)c(C)c1C(=O)O 238787489 YEQPHDAWCIUOAW-KKGHLCGPSA-N 366.457 5.515 30 1 FKEF N#Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cc1 587628848 SAMUWXXDFALODE-UHFFFAOYSA-N 366.701 5.244 30 1 FKEF C(#Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccccc1 587953101 FONHWCQLZGKBID-UHFFFAOYSA-N 351.434 5.239 30 1 FKEF N#CCCCCCCCN=c1c2c([nH]c3cc(Cl)ccc13)CCCC2 1772593805 HYOSQLTVKCEELG-UHFFFAOYSA-N 355.913 5.465 30 1 FKEF C=C1C=C2[C@]3(CCC[C@@H]3CO)CC[C@H](C3CCCCC3)[C@]2(C)[C@@H]2[C@H]1C2(C)C 2356350548 FAESPSHBAAQWRG-WDKSURLRSA-N 368.605 6.530 30 1 FKEF C(=C1\CCCC\C1=N/Nc1nc(-c2ccccc2)cs1)\c1ccccc1 473096874 BAYNHHPAFRZWCF-MFPISZNMSA-N 359.498 6.236 30 1 FKEF Fc1cc(F)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 587095034 NHWNFCFNHTZGBK-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF CCCCCCCCc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905754 HHZQSYVYPWWETO-UHFFFAOYSA-N 354.921 6.651 30 1 FKEF COc1ccc(Cl)cc1C#Cc1nc2ccccc2cc1Br 587913276 MRFAIGKGHNIRMW-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF N#Cc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1 653806099 YHWQMLAHCQTYQU-UHFFFAOYSA-N 373.408 5.516 30 1 FKEF CC1=C2CC[C@H]3C4=CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O 1772636517 YWUIRQSVLVBXOP-JYQZRRITSA-N 359.513 5.917 30 1 FKEF C=C1C=C[C@@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC(C)=CC(=O)OC 2356439095 DMYYYSYORLBYSN-PABCKOPISA-N 374.521 5.004 30 1 FKEF CCCCCCCCC=CCCCCCCC[C@]1(O)CC(=O)C=C[C@@H]1O 2356540485 ZPYABTHUTGWONW-GOTSBHOMSA-N 364.570 5.645 30 1 FKEF O=C(/C=C/c1ccccc1Br)c1coc2ccc(Cl)cc12 587275541 BKBROMIOSCXSNP-FNORWQNLSA-N 361.622 5.745 30 1 FKEF O=C(/C=C\c1ccccc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587628779 PQHCPJBFSUSHNV-TWGQIWQCSA-N 367.729 5.875 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)OC(C)(C)C)c(C)c1 587903295 BYEWZFSQDCIMAB-UHFFFAOYSA-N 356.849 5.012 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(COc2ccc(O)cc2)cc1 587906294 YQFOZUMYLLZUHR-UHFFFAOYSA-N 364.828 5.033 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cccc(C(F)(F)F)c1Cl 587914057 VEDMFSOPJZCCAI-UHFFFAOYSA-N 359.174 5.615 30 1 FKEF Clc1ccc2nc(/C=N/c3cccnc3Nc3ccccc3)sc2c1 1772645760 HZXKTUHYGPMXIJ-WSDLNYQXSA-N 364.861 5.839 30 1 FKEF Cc1cccc(C)c1Oc1cnc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)c1 1857763366 LAXOFTDHOFUHKL-UHFFFAOYSA-N 360.373 5.014 30 1 FKEF CCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356313586 LUKFSWINVWQMNF-SRFHPKRTSA-N 362.485 5.137 30 1 FKEF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@H]3O[C@@]3(C)CCCC2(C)C)cc1 2356389806 HQQJSFUWZFJWEU-VIZSFHNOSA-N 372.505 5.315 30 1 FKEF C=C1[C@H]2CC[C@](C)(O)[C@@H]2C[C@@]2(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@H]2C[C@H]1O 2356805697 VJXQNKJJJZPJGN-YJJWGBSOSA-N 374.609 5.890 30 1 FKEF CCCCCCCCCCCCCC[C@@H](CN)NC(=O)OC(C)(C)C 38152012 WFHLXOBAUMFTBL-IBGZPJMESA-N 356.595 5.930 30 1 FKEF CCc1c(C)[nH]c2c1/C(=N/OC(=O)Nc1ccc(C(C)C)cc1)CCC2 40764369 SMDKDHIRZSCNCD-LYBHJNIJSA-N 353.466 5.298 30 1 FKEF CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=C[C@@H]2c1c[nH]c2ccccc12 53276284 FQNPAUIHCKHPDU-GOSISDBHSA-N 368.480 5.539 30 1 FKEF CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC 86001438 XKMZZUYCBHPSGA-UHFFFAOYSA-N 352.603 7.576 30 1 FKEF endogenous,in-man C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCC(=O)O 89469926 JJEWWCWHZFDCDG-JSEHZMOPSA-N 372.549 5.658 30 1 FKEF CCCCCCCCCCCC(=O)N(C)Cc1ccc(OC)c(OC)c1 103187674 OMSQGPXFLDSFES-UHFFFAOYSA-N 363.542 5.583 30 1 FKEF Cc1ccc2c3c(c4c(nc13)[C@H](C=O)CC(C)(C)C4)-c1ccccc1C2=O 587101787 VXWVXFTWHGDTNK-AWEZNQCLSA-N 355.437 5.010 30 1 FKEF N#CC[C@@]1(c2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509344 ZBMGOKDRRIJKDU-NRFANRHFSA-N 369.823 5.132 30 1 FKEF CCCCCCCCn1cc(CN2CCCCCC2)c2cc(OC)ccc21 1772579343 NHEVRIZWSAVKSC-UHFFFAOYSA-N 370.581 6.386 30 1 FKEF Cc1ccc(C#Cc2sc3c(c2C(=O)c2ccccc2)CCCC3)cc1 1772658160 WKVBWDIDLYVAFZ-UHFFFAOYSA-N 356.490 5.566 30 1 FKEF C=C1C=CC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)ccc1O 1857752245 PYHPBXCXBLBMJC-HZUHNNHMSA-N 354.490 5.296 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCc4ccccc4)C3)CC[C@H](C)[C@]2(C)[C@@H]2[C@@H]1C2(C)C 2356498189 MECWLRVJWAMIJR-UZXCAQLASA-N 374.612 7.610 30 1 FKEF COc1cc(C#Cc2c(-c3ccccc3)n(C)c3ccccc23)cc(OC)c1 15934039 HMWWYZRTFOMNPP-UHFFFAOYSA-N 367.448 5.262 30 3 FKEF CCCCCCCCCCn1c(C)c(CC(N)=O)c2cc(OC)ccc21 37858531 PHJSYKHIMHYQRQ-UHFFFAOYSA-N 358.526 5.127 30 1 FKEF Cc1ccccc1Nc1nc(C)c(C(=O)/C=C/c2ccc(Cl)cc2)s1 64527058 SWOHJUUCVZVIQV-FMIVXFBMSA-N 368.889 6.053 30 1 FKEF CC#C[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3)c2)cc1 73196081 PRFCFRLTSFXIEK-JOCHJYFZSA-N 370.448 5.514 30 1 FKEF COC1=CC(=O)C(O)=C(C[C@@]2(C)[C@@H]3CCCC(C)(C)[C@]3(C)CC[C@H]2C)C1=O 254209933 ZMWPUCGPHZVIMQ-LHBYOMRUSA-N 374.521 5.140 30 1 FKEF C=C(C)[C@H]1CC=C(C)[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587817000 HEHBXGNJAFJBKB-NJSLBKSFSA-N 364.302 5.250 30 1 FKEF Cc1ccc(C(=O)/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587965193 IBNSMGDLHVKUNJ-BUHFOSPRSA-N 354.409 5.560 30 1 FKEF C=C(C)[C@@H]1CC(C)=C[C@H](c2c(O)cc(CCCCCCCC)cc2O)C1 2356316573 XNWBVPHEGZLIRK-RTWAWAEBSA-N 356.550 7.017 30 1 FKEF CSC(=S)N1CC2(CC2)CS/C1=N\c1ccccc1C(C)C 28822592 HQKCOZXHZCXACL-SDXDJHTJSA-N 350.578 5.274 30 1 FKEF C=CC(C)(C)c1[nH]c2cccc3c2c1[C@@H]1[C@H](CC[C@](C)(C=C)[C@@H]1C#N)C3(C)C 40767454 FVLJNWUXPRLMPE-QPHCBKPXSA-N 372.556 6.748 30 1 FKEF C=C(CCCC)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1 71296766 ULCZFZIVPDSTMF-RSXGOPAZSA-N 350.590 8.347 30 1 FKEF CC/N=C1/SC2(CCCCC2)CCN1C(=O)Nc1ccc(C(C)C)cc1 82052261 ZVCSDAARXQQHHV-LSDHQDQOSA-N 373.566 5.860 30 1 FKEF C[C@@H](C#N)C[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504108 MOVNLIHCBRTFKA-IQMFZBJNSA-N 363.432 5.115 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccnc1Oc1ccccc1Cl 587903375 PTLGFECBIPAUAI-UHFFFAOYSA-N 370.235 5.589 30 1 FKEF N#CCCc1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 1857752601 PLKGAHIHTTYWEV-UHFFFAOYSA-N 359.433 5.086 30 1 FKEF CC(=O)C(C)=CC=CC=CC=CC=CC=CC=CC=CC=CCC(=O)O 2356324372 IBLDYSXJOJRXMO-UHFFFAOYSA-N 350.458 5.446 30 1 FKEF CCCCCCCC/C=C\CCCCCCC(=O)c1nc2cnccc2o1 44361763 ZCLBUZCFDKRFSN-KTKRTIGZSA-N 370.537 7.053 30 1 FKEF CC[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 101505055 KVABVPFNUZZHGO-NPJOHQOCSA-N 359.537 5.294 30 1 FKEF CCCCCCCCCCCCCC(=O)OCCc1ccc(O)c(O)c1 142987272 PZDTWLGJNMDNCQ-UHFFFAOYSA-N 364.526 5.885 30 1 FKEF N#Cc1cc(Cl)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587049512 MHBMEZUILPIQIP-NXEZZACHSA-N 362.647 5.666 30 1 FKEF N#Cc1cc(Cl)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587113179 SPIGLFSJDJPMRB-UHFFFAOYSA-N 372.737 5.322 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Cl)ccc1OC(F)F 587915542 UBDCDCLAHMIDEO-UHFFFAOYSA-N 357.183 5.198 30 1 FKEF CCCCCCCCCCCCCC=CCCC(=O)N[C@H](CO)COC 2356751011 IAONXYMLFOCVGA-OAQYLSRUSA-N 369.590 5.147 30 1 FKEF C=CCn1c(O)c(/N=N\C(=S)Nc2ccc(OC)cc2)c2ccccc21 8680799 PXEBMCUAKGLGMG-DQRAZIAOSA-N 366.446 5.022 30 1 FKEF CCCCCCCCNc1ccc(/C=C/c2ccnc3ccccc23)cc1 38142102 ZHNBTHPMIUZEIN-NTCAYCPXSA-N 358.529 7.178 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CCc2cc(O)ccc2C1 42965724 MZKYQUTYNMIMIP-QHCPKHFHSA-N 359.598 6.540 30 1 FKEF N#Cc1cc(O)cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587189890 GGYWZEMAMUIFBS-UHFFFAOYSA-N 368.421 5.084 30 1 FKEF C=C[C@](C)(CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)O)OC(=C)C 2356688152 QFEPEWCZGTYFET-UAAMJZOTSA-N 360.538 6.125 30 1 FKEF CC=CCCCCCCCCCCCCC(=O)C1=C(O)CC[C@H](O)C1=O 2356747357 LXXQIOLYXZOVBG-FQEVSTJZSA-N 364.526 5.349 30 1 FKEF C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@H]2C[C@@H]2C)=N1)OC 13473226 LUEYTMPPCOCKBX-PERKOGIJSA-N 373.606 6.367 30 1 FKEF Cc1ccc(/N=C(/Cc2ccc(Cl)cc2)c2ccc(O)cc2O)cc1 49111004 SMVFPTHCZKBRRJ-ATJXCDBQSA-N 351.833 5.423 30 1 FKEF CCCCCCCCNc1ncc(-c2ccc(Br)cc2)[nH]1 72111421 FDGXAFKJHLCIOB-UHFFFAOYSA-N 350.304 5.612 30 1 FKEF CCCCCCCc1c(C)c(O)c(NC(C)=O)c2c1[nH]c1ccccc12 85597870 UDYDNCMLIJAFMJ-UHFFFAOYSA-N 352.478 5.806 30 1 FKEF biogenic C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)N(C)C 255285548 YVJHMEVFLXRRHO-AFQUXYSRSA-N 369.593 5.331 30 1 FKEF C[C@H](C#N)c1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587188707 UVVVMBMONHMLBP-CQSZACIVSA-N 354.413 5.231 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2ccccc2)s1 587920318 DBGZOMFGMBXILE-UHFFFAOYSA-N 352.842 5.041 30 1 FKEF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1cccc(F)c1F 963183387 BMVHPLIGWSLEOK-GMAHTHKFSA-N 360.407 5.177 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)CC=C(C)CCC=C(CO)CC[C@@H]3[C@H]12 2356575171 DCNGLOIOZYSSRI-VMAPGKTHSA-N 356.594 6.840 30 1 FKEF C#CC[C@@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)=C(C)C1=O 26827108 IMAXHSXDWYAKCB-INXLJQPQSA-N 352.474 5.031 30 1 FKEF C=CC(C)(C)c1c(OCC=C(C)C)cc2oc3ccccc3c(=O)c2c1O 28650396 AXUGHNYWAQYRQI-UHFFFAOYSA-N 364.441 5.460 30 1 FKEF COc1ccc(C2CCN(C)CC2)cc1C(=O)/C=C/c1ccc(Cl)cc1 28871409 IYHJTLYNACKLGD-WEVVVXLNSA-N 369.892 5.054 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCCC(=O)NCCO 43426942 YDKRGMXLBRWZJR-KTKRTIGZSA-N 353.591 5.913 30 1 FKEF in-vitro CCC[C@]1(c2ccccc2)CC(=O)C([C@@H](CC)c2ccccc2)=C(O)O1 100785280 JNRIREMZPAHGTJ-WMZHIEFXSA-N 350.458 5.635 30 1 FKEF O=C[C@@H](SCc1ccccc1)[C@@H]1NCCc2cccc(-c3ccccc3)c21 962659913 BDIZAUOTWRVUJH-VWNXMTODSA-N 373.521 5.041 30 1 FKEF Cl/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(Cl)c1 27619843 MFZVXOYJMSMPKP-MOSHPQCFSA-N 368.478 6.313 30 1 FKEF C=CCC/C=C/C=C(\C)C[C@H](C)/C=C/C=C/C[C@@H]1C[C@H](O)[C@@H](C)[C@@](C)(O)O1 34066157 UMSAZVWWNPZQBE-VPZANPLZSA-N 374.565 5.478 30 1 FKEF CCCCCCCCCCCCC[C@H]1CCC[C@H](CC[P@](C)(=O)O)N1 36178433 CDEPDWBJGIUHRS-LEWJYISDSA-N 373.562 6.489 30 1 FKEF COc1cccc(SC/C(=N\O)c2cc(Cl)sc2Cl)c1C 95572842 CAGFLVNJNCAPFI-LICLKQGHSA-N 362.303 5.343 30 1 FKEF COc1cc(/C=C2\CCC/C(=C\c3ccccc3F)C2=O)cc(OC)c1 95593603 CLEKNGMKRNGHMK-YAUBYZHOSA-N 352.405 5.063 30 1 FKEF CC(C)C1=CC[C@H](CSc2nc3ccccc3o2)[C@@]12C=CC(=O)CC2 653807530 KFBDTDXSQNSGEL-VFNWGFHPSA-N 353.487 5.428 30 1 FKEF C=C(C)[C@@H]1CC[C@]23CC=C[C@@H]4[C@H](C5(O)CCCC5)CC[C@@]42C=CC(C)=C3C1 2356461891 XUJLIAWNZDUSTJ-ZPSZDYIASA-N 364.573 6.513 30 1 FKEF CCCCCCC[C@@H](O)CCCCCCC(=O)NCCc1ccccc1 101509232 JJZSGRYZZBAVAB-JOCHJYFZSA-N 361.570 5.407 30 1 FKEF biogenic CCCCCCCCCCCCCCCC(=O)O[C@H](CC)[C@@H](C)CCC 169622421 ZQMFEFNLIVRCJO-XZOQPEGZSA-N 368.646 8.226 30 1 FKEF CC(C)[C@@H]1N(c2ccccc2)CC2=C(CC(C)(C)CC2=O)N1c1ccccc1 2382253095 QLCQRDAAKYAQRI-XMMPIXPASA-N 374.528 5.639 30 1 FKEF C=C(C(=O)O)[C@H]1CC[C@H](CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1 5924196 IFDPWHHQIPWEFF-FNDQPAFASA-N 374.565 6.622 30 1 FKEF Cc1ccc2c(C#N)cn(-c3ccc(C(C)C)cc3Br)c2n1 13794637 RIRFTBCYCYBZNQ-UHFFFAOYSA-N 354.251 5.092 30 1 FKEF C/C(O)=N\c1ccc(Nc2nccc3c2cc(-c2cccc(F)c2)n3C)cc1 82082279 VNQYZXJWKAFMHR-UHFFFAOYSA-N 374.419 5.731 30 1 FKEF O/N=C(\CSc1ccccc1Cl)c1cc(Cl)sc1Cl 95577094 XNASKAQPLZHXKO-CXUHLZMHSA-N 352.695 5.679 30 1 FKEF CCC[C@@]1(c2ccccc2)CC(=O)C([C@@H](CC)c2ccccc2)=C(O)O1 100785287 JNRIREMZPAHGTJ-CVDCTZTESA-N 350.458 5.635 30 1 FKEF CC(C)=CCCC(C)=CC[C@]1(C)C(=O)C(C)=C2O[C@@H](C)CC(O)=C2C1=O 2356661096 RWVTZZISTKBQMV-OYHNWAKOSA-N 358.478 5.122 30 1 FKEF CC(=O)OCc1cocc1[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=O 2356808061 YKEOLTDVFAPURE-WKDRNLAYSA-N 360.494 5.042 30 1 FKEF CCCCCCC[C@H]1CC[C@@H](OCCCn2c(C)nc3cnccc32)O1 14263324 FMQIRPQLYMBXFC-RXVVDRJESA-N 359.514 5.012 30 1 FKEF Cc1ccc2c3c(c4c(nc13)[C@@H](C=O)CC(C)(C)C4)-c1ccccc1C2=O 587101790 VXWVXFTWHGDTNK-CQSZACIVSA-N 355.437 5.010 30 1 FKEF C=CCC[C@@]1(CCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356801 RXDPCSGSPRVRBJ-RBBKRZOGSA-N 354.421 5.395 30 1 FKEF N#CC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12 1857571648 PMZLTHVRZXUXAI-IBGZPJMESA-N 356.856 6.534 30 1 FKEF C=C(/C=C(\C)CC/C=C(\C)CO)C[C@]1(C)C=Cc2cc(O)cc(C)c2O1 1857644555 NSLIPZCCFZNQJZ-DJNJQWQBSA-N 354.490 5.476 30 1 FKEF C=C[C@H](c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 2382222490 ZOHOTHWMIQFAAD-QGZVFWFLSA-N 370.404 5.189 30 1 FKEF C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O 85992382 OMNJRQNCWHCCBZ-HQEFAVSFSA-N 362.510 5.138 30 1 FKEF CCCCCCCCCCC[C@@H](S)CCOc1ccc(C(=O)O)cc1 169340488 AOVIHPQVUARHHZ-HXUWFJFHSA-N 366.567 6.373 30 1 FKEF CCCCCCC[C@H]1CCC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587483456 QJHRKKUVWVJJCX-GAJHUEQPSA-N 358.522 6.209 30 1 FKEF CC(C)CC[C@@]1(C(C)C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963209469 XDILWNJMSTXWOC-LOSJGSFVSA-N 360.545 6.097 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]4C=C(O)C=C[C@@H]43)s2)s1 2356360799 OHGVJNOZZQEQSA-RRQGHBQHSA-N 366.507 5.685 30 1 FKEF CN1CCC/C1=N\CCSc1cn([C@@H]2C=CCCC2)c2ccccc12 26399722 WVGKCHWUEAWVHV-BFQBXFRASA-N 353.535 5.139 30 1 FKEF CCCCCCCCCCCCCCC[C@]1(OC)C[N+](C)(C)CCO1 36079859 FWFTYMIKNWJPDS-JOCHJYFZSA-N 356.615 5.917 30 1 FKEF CCCCCCCCCCCCCCCCc1c[nH]c2ccc(OC)cc12 44018390 FMBSDROPXHTDHO-UHFFFAOYSA-N 371.609 8.200 30 1 FKEF CCCN(CCC)/C(C)=N/c1nc2ccc(OC(F)(F)F)cc2s1 49072833 JLBQGCAZDYEFIR-RGVLZGJSSA-N 359.417 5.367 30 1 FKEF CO/N=C1\C[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C 73141344 ZDVHGUMNNOFTQG-NZIXVOHUSA-N 363.288 5.408 30 1 FKEF CCCCCCCCCCCCCCC[C@]1(C)SC(O)=C(C)C1=O 101032929 JUGOIXZLLAPLOQ-NRFANRHFSA-N 354.600 7.332 30 1 FKEF CC/N=C(S)\N=N/c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12 102729006 SBUUMMQPJROXGF-DQRAZIAOSA-N 372.881 5.438 30 1 FKEF N#Cc1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587050532 RPOQNWGYJWKWPQ-UHFFFAOYSA-N 357.800 5.234 30 1 FKEF FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(Cl)c2[nH]1 587089427 CXLUUARHGAKFFQ-UHFFFAOYSA-N 370.602 5.141 30 1 FKEF Cc1cc(C)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 587090026 IAHBWCBWIMJPQD-UHFFFAOYSA-N 364.211 5.104 30 1 FKEF Cc1ccc(C(=O)/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587964871 DLUWICNBRXIDJB-CMDGGOBGSA-N 362.376 5.379 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587965642 OEECJLRUFMSPHD-SREVYHEPSA-N 364.754 5.440 30 1 FKEF O=C(/C=C/c1cccc(Br)c1)c1ccc(-n2cccc2)cc1 653780468 KGZZXIIQYGETBN-IZZDOVSWSA-N 352.231 5.136 30 1 FKEF CCCCCCCCCCCCCC=CC[C@H](COC[C@H](O)CO)OC 2356728355 HAEKESXEMFDAFY-FGZHOGPDSA-N 372.590 5.019 30 1 FKEF CCCCCCCCCCCCCCCC[n+]1ccc(C)c2ccccc21 72106627 YRLXTHASDAFADJ-UHFFFAOYSA-N 368.629 7.917 30 1 FKEF CCCCCCCCCCCCCC(=O)NCC(C)(C)C[N+](C)(C)C 96906287 FMALMVOFCYUYTM-UHFFFAOYSA-O 355.631 5.536 30 1 FKEF COc1ccc(C2=C[C@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N2)cc1 102070952 PYOVRDODRUFLBQ-LJQANCHMSA-N 359.469 5.066 30 1 FKEF CCCCCCCCCCCCC/C=C/COc1ccc(C(=O)O)cc1 169344862 KUSISFNZLAIOGV-CCEZHUSRSA-N 360.538 7.021 30 1 FKEF CCCCCCCCCCCCCCCc1cnc2nc(O)nc(O)c2c1 587561230 FXFZLPKWFLZQEL-UHFFFAOYSA-N 373.541 6.070 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C2=COc3ccccc3N2)cc1 587906934 ZMGYMDFPZNJRNV-UHFFFAOYSA-N 373.839 5.551 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(C(F)(F)F)c1N 587913752 FTYKCUKOSJTGDF-UHFFFAOYSA-N 360.162 5.003 30 1 FKEF CCSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C 28948300 QLSZVOBZJNYKSA-MNDPQUGUSA-N 366.621 5.911 30 1 FKEF O=C1/C(=C\N=N\c2ccccc2Cl)Nc2ccc(Br)cc21 49068738 CTAWEUZKQIQGEA-LYQDZYHDSA-N 362.614 5.336 30 1 FKEF CCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1 49757538 YKBZVEVKCOCCFO-XQNSMLJCSA-N 372.440 5.758 30 1 FKEF C=C(C(=O)O)[C@@H](CCCCCCCCCCCCCCCC)C(=O)O 85836586 GFBJXFMJWQHQJC-LJQANCHMSA-N 354.531 6.199 30 1 FKEF biogenic C#CCn1c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587514707 HXRCIFRXIGWACD-HSZRJFAPSA-N 369.464 5.168 30 1 FKEF CCCCCC/C=C\[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821169 STQZZHPWFUJRCB-OKFNSAOFSA-N 354.307 5.690 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Cl)cc([N+](=O)[O-])c1Cl 587898584 NIQKVLXXFWRGOQ-UHFFFAOYSA-N 370.619 5.158 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc2c(Br)cccc12 587910399 YSXFXWKMZSIFQT-UHFFFAOYSA-N 371.661 5.664 30 1 FKEF Cc1cc(C)c(C#Cc2cccc(Nc3c(C)cc(C)cc3C)c2)c(C)c1 653835895 YIQIDYRJAZXGFW-UHFFFAOYSA-N 353.509 6.681 30 1 FKEF CCCCCCCCC[C@H](C)[C@@H]1OCc2c(/C=C/C(C)=O)cnc(C)c2O1 1857773822 DPIOIILZMBLZMJ-COIPZKNWSA-N 373.537 6.004 30 1 FKEF O=C1C=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H](c2ccc(F)cc2)C1 36382275 DRKQVIVXFWFYED-LJQANCHMSA-N 360.403 6.162 30 3 FKEF Cc1nc([C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cs1 261142831 NIYPNKHDGWDAOX-SZAWYWIZSA-N 369.574 6.067 30 3 FKEF CCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 14979708 MOQBGJJXYJJJFQ-UHFFFAOYSA-N 358.526 5.453 30 1 FKEF in-vivo C=C[C@@H](/C=C/c1ccccc1Br)c1ccc(OC)cc1OC 28567344 MYFOLVJQWWBLBX-HBWSCVEGSA-N 359.263 5.449 30 1 FKEF CCCCCCCC#Cc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1 103040579 ANURTVHVTHFXSL-WMPKNSHKSA-N 368.629 6.911 30 1 FKEF C/C=C/CCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 138067914 MNVVQRHSKMPYJZ-ONEGZZNKSA-N 362.510 5.738 30 1 FKEF C=C[C@]1(C)CC[C@H]2C(=CC[C@@H]3[C@@]2(C)CCC[C@@]3(C)COC(=O)CC(=O)O)C1 238769445 MDEBRCINDGZVPW-MENMYXSPSA-N 374.521 5.140 30 1 FKEF N#Cc1cc(Br)c2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586880649 OMFQPWGYJOHWHE-UHFFFAOYSA-N 352.235 5.132 30 1 FKEF O=C(/C=C/c1ccccc1Cl)c1ccc(OCCCN2CCCC2)cc1 1857542222 GQJDSUZZFVZLIN-JLHYYAGUSA-N 369.892 5.101 30 1 FKEF C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)C(=CC)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2356586898 RGADTGZXHGYDQJ-ZUNIMCITSA-N 353.550 5.053 30 1 FKEF C[C@H](c1ccc2oc(-c3ccccc3)cc2c1)N(O)C(=O)c1ccccc1 13738950 FONLIUWCOLJQCM-MRXNPFEDSA-N 357.409 5.692 30 1 FKEF CC1=CC=C[C@@H](C#N)[C@@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 36248257 SLJJMUAVIJMROI-WWPVKYPJSA-N 352.481 5.178 30 1 FKEF CCCCCCCC#Cc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1 254093589 ANURTVHVTHFXSL-DIVCQZSQSA-N 368.629 6.911 30 1 FKEF CCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(F)cc2)c1C#N 653732484 CRUMWECUYKUGLU-UHFFFAOYSA-N 358.372 5.571 30 1 FKEF C[C@@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356528851 KLZYXWJPRWEJSX-PVDMVPRFSA-N 370.533 5.411 30 1 FKEF CCCCCCCCCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356678119 TZDVTFYLQHHLND-SFHVURJKSA-N 365.558 5.709 30 1 FKEF C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@H]2C[C@H]2C)=N1)OC 13473238 LUEYTMPPCOCKBX-ZTVCJXCYSA-N 373.606 6.367 30 1 FKEF CCCc1ccccc1/N=C1\SCC(C)(C)CN1C(=S)SC 28948353 VPZYZOLTFOUUOB-SDXDJHTJSA-N 352.594 5.350 30 1 FKEF CCCCCCCCCCCCCC[C@@H](CO)NC(=O)CCCCCC 43422793 OIIQQEIZEKSADZ-QFIPXVFZSA-N 369.634 6.525 30 1 FKEF CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 103522633 KAJJYQDDUMNLAD-XXBRTLJISA-N 371.452 5.367 30 1 FKEF O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1cccc(Cl)c1Cl 299833124 OHNXVULMEZLLQT-LBPRGKRZSA-N 365.281 6.002 30 1 FKEF FC(F)(F)c1cc(C(F)(F)F)c2c(S)c(C(F)(F)F)[nH]c2c1 587625603 GWDKRLSYGHGPGT-UHFFFAOYSA-N 353.209 5.513 30 1 FKEF Cc1c(-c2ccc(F)cn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626540 TXKSDLOFUYWMBZ-UHFFFAOYSA-N 362.248 5.715 30 1 FKEF CCC(CC)(CCC#N)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587728677 APTVWYGPKZUDFF-SJCJKPOMSA-N 367.306 5.274 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(OC2CCCC2)c1 587901954 BQCZFLHCBCYVSA-UHFFFAOYSA-N 356.849 5.078 30 1 FKEF CCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 13746831 WLAOFEXUHCVHAH-QEDSVCCZSA-N 354.534 5.670 30 1 FKEF c1ccc(CON=C2C[C@@H](c3ccccc3)S[C@H](c3ccccc3)C2)cc1 43019977 OOCRJFRTLQORLS-ZEQRLZLVSA-N 373.521 6.569 30 1 FKEF N#Cc1ccc([C@@H]2C[C@@H](n3ccnc3)c3ccc4ccccc4c3O2)cc1 71281925 DUNNACINMFVVPI-YADHBBJMSA-N 351.409 5.021 30 1 FKEF CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCCCC(=O)OC 85580022 QWSZTLFFEPDHPO-WOJBJXKFSA-N 358.563 5.143 30 1 FKEF biogenic CCCCCC/C=C\CCCCCCC[C@@H](O)C[C@H]1CC=CC(=O)O1 473127420 WJCMTFWRMNKUKV-LSORQBDOSA-N 350.543 5.866 30 1 FKEF N#Cc1cc(Cl)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074352 TUBHUCXEZDSSDH-KRWDZBQOSA-N 371.271 5.078 30 1 FKEF CCCCCCCCCC[C@@]1(C)NCCc2cc3cccc(OC)c3nc21 963062537 FAKLZDUUYAPJKU-XMMPIXPASA-N 368.565 6.135 30 1 FKEF C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@@]2(C)C(=CC)C(=O)C[C@]2(C)[C@@H]4CC[C@@H]13 2356586896 RGADTGZXHGYDQJ-PZSVEXKASA-N 353.550 5.053 30 1 FKEF C=CC[C@H]1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493631 FOSHWESRGNRMBT-QGZVFWFLSA-N 363.457 5.685 30 1 FKEF C=CCC[C@H](C)C(=O)[C@@H](C)C[C@H](C)NC(=O)CCC/C(=C/Cl)CCC 49033684 MTSIKQYOKFAJKC-OZAAMPBJSA-N 369.977 5.782 30 1 FKEF CCCCCCCCC=C=CCCCCCCCCCCCCCCC 85836138 JTZGBDMNQNRSDR-UHFFFAOYSA-N 362.686 9.930 30 1 FKEF biogenic COc1ccc(N/N=C2\c3ccccc3-c3c2c2ccccc2n3C)cc1 95591333 FJAKHRZJUZMEOW-YYDJUVGSSA-N 353.425 5.032 30 1 FKEF N#C[C@@H](C(=N)Sc1ccccc1N)c1cccc(Cc2ccccc2)c1 169718061 KASDDBGIEJNPBO-LJQANCHMSA-N 357.482 5.236 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cccc(OCc2ccccc2)c1 587898791 QIAUTRUSXGJMTE-UHFFFAOYSA-N 362.856 5.522 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(N=Nc2ccc(O)cc2)cc1 587906578 LYNLGJRMNGIZGH-UHFFFAOYSA-N 362.816 5.869 30 1 FKEF CCC1=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCC=C(C)C)O[C@H]2[C@@H]1O 2356332259 BMDMRPRGJZSKOI-VJBWXMMDSA-N 358.522 5.213 30 1 FKEF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@]21C 14861012 OOTTXHPHVJPZLE-JOMPHRNESA-N 369.387 5.876 30 1 FKEF biogenic C=CC[C@@H](c1ccc(O)c(C(C)C)c1)c1c(C)cc(OCC(=O)O)cc1C 26718191 AWOYKHJWMXPCTQ-IBGZPJMESA-N 368.473 5.304 30 1 FKEF CCC(CC)C(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl 33855481 TZUQLYUYUOKMRR-UHFFFAOYSA-N 355.048 5.513 30 1 FKEF O=C1C(Cl)=C(Sc2cccc3ccccc23)C(=O)c2ccccc21 40899278 SDWURUNUMCXACW-UHFFFAOYSA-N 350.826 5.462 30 1 FKEF O=C1C=CN(C(=O)Oc2ccccc2)[C@H](c2ccc(-c3ccccc3)cc2)C1 96938199 RTENTCXUYWADDS-QHCPKHFHSA-N 369.420 5.382 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587067347 VRLWCCLFIHKMAR-UHFFFAOYSA-N 358.828 5.717 30 1 FKEF COc1cc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3)C2=O)ccc1O 653712772 FPBFMFKGWSMARY-MAEUFBSDSA-N 354.833 5.274 30 1 FKEF CCCCCCCCCC[C@@H]1[C@@H]2C=C[C@H]3[C@@H]4[C@H]2[C@H]1C[C@H]4C=C[C@H]3C(=O)OC 2356664789 ILBLNWRALCTWGL-VLUGCRAZSA-N 370.577 6.177 30 1 FKEF CCCCCCCC/C=C1/C=C(C(F)(F)F)c2cc(OC)c(OC)cc21 2382227282 QXPZBSKLHCUGFX-PTNGSMBKSA-N 368.439 6.797 30 1 FKEF CCCC[C@]1(c2ccccc2)CC(=O)C(SCc2ccccc2)=C(O)O1 13766404 XHUGBDISNAJIRS-JOCHJYFZSA-N 368.498 5.722 30 1 FKEF COc1cc2ncc(C#N)c(Nc3cccc(Cl)c3Cl)c2cc1OC 13862206 CWQROCDITVQWTH-UHFFFAOYSA-N 374.227 5.174 30 1 FKEF CC[C@H](C)/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C 34348855 OPSLYPDRADIUGV-ZBUJUHMUSA-N 368.517 5.505 30 1 FKEF CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 34802098 DPSJSZQSAMCEEQ-UHFFFAOYSA-N 371.565 5.850 30 1 FKEF CCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21 36294568 STLYVHJSLUNUAD-GUDVDZBRSA-N 360.538 5.568 30 1 FKEF CC(C)(C)CC(C(=O)OCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 68574828 CWZAOVRKXGRJAV-UHFFFAOYSA-N 374.296 5.416 30 1 FKEF biogenic Oc1ccc(-c2[nH]c3ccccc3c2/C=N/Nc2ccccc2Cl)cc1 82152604 LZGLTLIPPYNQMF-YDZHTSKRSA-N 361.832 5.640 30 1 FKEF Cc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(Cl)cc3)cs1)CC2 84670995 ODDYODBEMRIROT-OQKWZONESA-N 353.878 5.534 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)O 102184494 RZIUVAXYOUCFAV-UHFFFAOYSA-N 368.602 7.462 30 1 FKEF CON=C1[C@H]2CC(C)C[C@H]1[C@@H](c1ccccc1F)N[C@@H]2c1ccccc1F 169325884 VLDQNJVVDNGNJN-AGDSKMOUSA-N 370.443 5.015 30 1 FKEF N#Cc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1C(F)(F)F 587023532 LDYHKBLJYKRVFY-UHFFFAOYSA-N 370.359 5.244 30 1 FKEF CC(C)=CCC/C(C)=C/COc1ccccc1/C=C/C(=O)c1ccccc1 1857577787 GXIUJKGZZPTWEK-RAISGICESA-N 360.497 6.654 30 1 FKEF C=Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1c(C)cc(C)cc1C 5930558 OFZPTYFLZZXCJA-UHFFFAOYSA-N 355.445 5.404 30 1 FKEF C=C1[C@H](C)CCC[C@]1(C)CC[C@]1(C)C=Cc2c(O)c(OC)cc(O)c2O1 14589316 FRNCPGLIWZENHP-ZLUZWTFRSA-N 358.478 5.433 30 1 FKEF biogenic O=C(/C=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccncc1 84671522 BNAIFXFKNARPHJ-RMKNXTFCSA-N 354.409 5.038 30 1 FKEF N#Cc1ccccc1CN1C(=O)C[C@H](c2ccccc2)Sc2ccccc21 95589595 PGMOCVFOLMWSII-JOCHJYFZSA-N 370.477 5.329 30 1 FKEF CCCCCCC/C=C/C1=C[C@@]2(C)C[C@@]1(C)[C@@H](CCCCCCC)CC2=O 169294289 MJBOCEQQHSSWGQ-YMEPUIKVSA-N 372.637 8.195 30 1 FKEF CCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O 299861160 KQGIRFCMSFIIJY-UHFFFAOYSA-N 350.499 5.270 30 1 FKEF N#Cc1ccccc1SCc1nc2ccc(Oc3ccccc3)cc2[nH]1 586964678 JHNOOGNKUGQIDI-UHFFFAOYSA-N 357.438 5.519 30 1 FKEF C=CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC=C 587525077 POANKVVYLZZDSB-DEOSSOPVSA-N 374.480 5.565 30 1 FKEF N#Cc1c(-c2ccncc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627659 HLSIIZNGMZOANV-UHFFFAOYSA-N 355.241 5.139 30 1 FKEF C=C(C)[C@@H]1CC=C(C)[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819945 XKICRSWZRAFPJK-ZBQZNYHESA-N 364.302 5.250 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)cc(Cl)c1N 587913785 HJRGMDHTWYMNIT-UHFFFAOYSA-N 360.162 5.003 30 1 FKEF COc1ccccc1[C@]1(CCCCCC#N)NCCc2ccc(F)c(C)c21 962381750 ZNQSWOUHSAKLKJ-QHCPKHFHSA-N 366.480 5.006 30 1 FKEF C=C1CCC=C(C)CC[C@H](C(=CCC=C(C)C)COC(C)=O)[C@H]1C(=O)OC 2356677142 ISIHCFKJFHDLCQ-YADHBBJMSA-N 374.521 5.314 30 1 FKEF COc1cc2ccccc2cc1/C=N/Nc1ccnc2cc(Cl)ccc12 29135620 JLOCQGWGNXUHQZ-ZMOGYAJESA-N 361.832 5.496 30 1 FKEF CCCCCCCC/C=C\C/C=C\C=C\Sc1cccc(C(=O)OC)c1 36222947 LSCPGNUHRNLUTC-PIZVHZJPSA-N 372.574 7.332 30 1 FKEF C=CC/C=C/C/C=C/CCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 85599331 FGWRUVXUQWGLOX-HHWLVVFRSA-N 358.478 5.290 30 1 FKEF endogenous,in-man C=C1C[C@H]2C3=CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1772622220 QVHHRLVILILVHC-XAHYKELJSA-N 357.497 5.693 30 1 FKEF C=C1[C@H](C)CCC[C@@]1(C)CC[C@]1(C)C=Cc2c(O)c(OC)cc(O)c2O1 14589318 FRNCPGLIWZENHP-GBSMKCJWSA-N 358.478 5.433 30 1 FKEF biogenic C/C=C1/C(=O)C[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]4(C)[C@@H]3CC[C@@]12C 257458000 JSUJWYWIDCBKFU-PKWSLNAYSA-N 371.609 5.769 30 1 FKEF Cc1cc(Cl)cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 586911214 WNZIQEDJXXAPJA-FQEVSTJZSA-N 374.912 5.174 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@H](O)c2ccc(C)cc2)cc1 587905842 KLFUONJWCBSKBC-HSZRJFAPSA-N 362.856 5.139 30 1 FKEF CCCCCCCCCCCCOc1ccc2c(CC)cc(=O)oc2c1 653700257 GTRRAEJQTRMGRO-UHFFFAOYSA-N 358.522 6.655 30 1 FKEF C=CCCCCC=CC#CCCCCCCCC[C@@H]1C[C@@H](CO)OC1=O 2356417134 RNDRAGJYHLXUOB-YADHBBJMSA-N 360.538 5.337 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@@H]5CC[C@H](C=C3)[C@@]5(C)N4)=CC(C)=C2C1 2356775820 BXGIBPZRFLGZCR-WKCYRJLMSA-N 361.573 6.268 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)c1nc(C)c(C)o1 34803459 HEUFDOMTQLMLGS-QXMHVHEDSA-N 361.570 7.512 30 1 FKEF C=C(CCCC)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 40835627 YUIWLCUXQSXPNK-LJQANCHMSA-N 361.407 5.923 30 1 FKEF CCCCCCCCCCCCCCCC(=O)c1c(O)cc(O)cc1O 85944601 RWIHADCQLZUZEI-UHFFFAOYSA-N 364.526 6.467 30 1 FKEF biogenic CCC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccc(F)cc1 473247793 IFSUHMGUQFWOPR-IBGZPJMESA-N 352.434 5.102 30 1 FKEF COc1ccc([C@@H]2c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c(C)c1 963209426 WUGZPBXWGJOPIZ-LOSJGSFVSA-N 368.480 5.216 30 1 FKEF CCCCCCCCn1cc(CNC2CCCCCC2)c2cc(F)ccc21 1772604044 BATPNDHLZCLOBX-UHFFFAOYSA-N 372.572 6.953 30 1 FKEF C[C@H]1OC(=O)c2ccccc2[C@]1(Cl)c1ccc(C#Cc2ccccc2)cc1 1857575933 RVOYQALCIFEEFN-MZNJEOGPSA-N 372.851 5.128 30 1 FKEF CCCCCCCCn1ccc2c(OCCCN3CCCC3)cccc21 1857645007 SRJYPLYCBNGRDM-UHFFFAOYSA-N 356.554 5.867 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C)=CC[C@@H]12 2356794858 LMVLXXBDZWFCKB-XDDZPGGASA-N 352.562 6.679 30 1 FKEF N#Cc1ccc(Cn2ccnc2)cc1Oc1ccccc1-c1ccccc1 28253535 RYKIAQZQXCZXEZ-UHFFFAOYSA-N 351.409 5.262 30 1 FKEF Cc1cc2cc(Nc3c(C#N)cncc3/C=C/c3ccccc3)ccc2[nH]1 45260019 CLGKERUQODCNJI-BQYQJAHWSA-N 350.425 5.657 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC[C@@H](C)CC 138547114 PIDMIARWXIPIMD-VWLOTQADSA-N 352.691 9.854 30 1 FKEF CCC/C=[N+](\[O-])CCCCCC/C=C\CCCCCCc1cccnc1 140554886 OEXBPSQYJOTOJT-FRHLTTBBSA-N 358.570 6.463 30 1 FKEF Cc1ccc(NC2(c3nc4cc(C#N)cc(Cl)c4[nH]3)CCCC2)cc1 587237064 LYMKRYJVFLXGBS-UHFFFAOYSA-N 350.853 5.278 30 1 FKEF N#Cc1ccccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587501992 DIOSCLDDHJYNPT-HSZRJFAPSA-N 369.420 5.404 30 1 FKEF CCC1CCC(c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)CC1 587906516 IXWSIXDGAGVUHC-UHFFFAOYSA-N 352.905 6.432 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2ncc(C(C)=O)c(Cl)c2c1 587908582 BVDPCFOOKKUFJX-UHFFFAOYSA-N 370.235 5.153 30 1 FKEF N#Cc1cc(Cl)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587956286 QKOOUYQKLKJWDX-SFHVURJKSA-N 357.844 5.463 30 1 FKEF CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc21 1857643712 BIBNBEYRARSZEY-OQLLNIDSSA-N 355.437 5.719 30 1 FKEF C=CCOc1ccccc1[C@@H](Nc1cccc(F)c1)[C@@H]1CCCCC1=O 66251567 HOAZRCMWCFNOPE-GCJKJVERSA-N 353.437 5.303 30 1 FKEF CCCCCCCCCCCCC[C@H](C)CCCCCCCCCC 118606559 ROVQLBOPXKELIT-RUZDIDTESA-N 352.691 9.854 30 1 FKEF N#CC[C@@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587506968 PJCXCZHINYAJKD-VWLOTQADSA-N 371.480 5.219 30 1 FKEF C=C(C)[C@H]1CC=C(C)[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816996 HEHBXGNJAFJBKB-CKFHNAJUSA-N 364.302 5.250 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2cc(OC(C)C)ccc2c1 587907279 IVGFQAREMXFMTB-UHFFFAOYSA-N 350.845 5.689 30 1 FKEF CC=C(C)C(=O)O[C@H](C)C[C@@H]1CCN(C(=O)CCCCCCCCC)C1 2356569503 YPZRRRFUIPYEJJ-UXHICEINSA-N 365.558 5.264 30 1 FKEF C[C@@H]1CCCC/C1=N\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 28951719 USNKDWKIDLXGKS-CLXZYQIKSA-N 361.514 6.455 30 1 FKEF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)C1=C(CCCC1=O)N2 43011511 FVLQKDWADPKZFA-HXUWFJFHSA-N 356.828 5.373 30 1 FKEF CCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(C#N)c1 45228395 WSZFOZFNYAOOEC-SFHVURJKSA-N 362.517 5.687 30 1 FKEF CCCCCCCC(=O)NCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 587228768 XYNRGMJSRUMWSA-UHFFFAOYSA-N 370.324 5.279 30 1 FKEF C[C@@](CCC#N)(c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502200 FDWOBQRUFSUAJI-ISKFKSNPSA-N 359.469 5.161 30 1 FKEF CCOC(=O)c1cccc2c(C#Cc3cc(Cl)ccc3OC)cccc12 587910337 WDVIMMKOBJHGAH-UHFFFAOYSA-N 364.828 5.078 30 1 FKEF CCCCCCCC/C=C\C/C=C\C=C\Sc1ccccc1C(=O)OC 36222953 VLXDRZKBFBJYTB-ALMRBCHNSA-N 372.574 7.332 30 1 FKEF CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1OCC 36349519 LMAFBFKEXNZZHQ-UHFFFAOYSA-N 361.570 6.889 30 1 FKEF C/C(=C\c1cc2ccc(C)cc2nc1Cl)C(=O)c1cccc(Cl)c1 71282403 BFZAYELXNYXDPB-UKTHLTGXSA-N 356.252 6.136 30 1 FKEF CCCCCCCc1c(C(=O)O)c(O)cc2oc3cc(OC)cc(C)c3c12 86032292 CVRZPOWWQIURGZ-UHFFFAOYSA-N 370.445 5.820 30 1 FKEF biogenic C=CCc1cccc2[nH]c(-c3ccc([C@H]4CC[C@H](CCCC)CC4)cc3)nc12 586879963 JQUHDQYFEPQMCU-MXVIHJGJSA-N 372.556 7.422 30 1 FKEF CCCCCCCOc1ccc(C(=O)c2coc3cc(C#N)ccc23)cc1 587279664 ZQFMJCBVWZJMBX-UHFFFAOYSA-N 361.441 5.885 30 1 FKEF N#Cc1c(-c2ccc(Br)cc2F)[nH]c2ccc(F)c(Cl)c12 587629351 LJEIZGNIZJECFT-UHFFFAOYSA-N 367.580 5.401 30 1 FKEF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@H]1Cc1ccc(F)cc1 963205076 NAQZJNPSLNZCDX-RPWUZVMVSA-N 356.444 5.232 30 1 FKEF CC=CC=CCCCCCCCCCCC(=O)C1=C(O)CC[C@H](O)C1=O 2356434398 PZRXMWHGDOILSY-FQEVSTJZSA-N 362.510 5.125 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@@H]1OC(C)=C3C(=O)OC(C)(C)[C@@H]4CC[C@@]12[C@H]34 2356790384 FMYRDMFDPRCQQF-UXIKUJOOSA-N 368.517 5.330 30 1 FKEF CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccccc1O 40899444 YTIBYEHSAXMVNX-QFIPXVFZSA-N 369.464 5.746 30 1 FKEF Cn1ccc2cc(Nc3c(C#N)cncc3/C=C/c3ccccc3)ccc21 45257089 TWSGSMGLEVFTEX-BQYQJAHWSA-N 350.425 5.359 30 1 FKEF N#Cc1nc(Cl)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587051087 RUSBYYUMGSFZPS-JGVFFNPUSA-N 363.635 5.061 30 1 FKEF C=CCc1cccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c12 587074557 XDDJBZNYNODKNM-UHFFFAOYSA-N 358.872 6.587 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(Cl)nc(Cl)cc2c1 587908318 YTCPHMWZGORJNN-UHFFFAOYSA-N 362.643 5.603 30 1 FKEF CCCCCCCCCCCC=CCCC(=O)c1c(O)cc(O)cc1O 2356594224 MUFISAIGJOKEAT-UHFFFAOYSA-N 362.510 6.243 30 1 FKEF CCCCCCCCC=CCCCCCCCC(=O)Cc1cccc(O)c1 2356693354 GRADGYRIHVUXAA-UHFFFAOYSA-N 372.593 7.541 30 1 FKEF CC1(C)CCC(C)(C)c2cc(C(=O)/C=C/c3c[nH]c4ccccc34)ccc21 95578352 HLYPPOUSPCNXHO-ZRDIBKRKSA-N 357.497 6.413 30 1 FKEF CCCCCCCCCCCCC/C=C/Nc1ccc(C(=O)OCC)cc1 100782961 RFHLLPMGTWXSNH-LTGZKZEYSA-N 373.581 7.490 30 1 FKEF CCCCCCCCOC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253634340 MPVLPIQMXJGQFG-CDAPYURASA-N 366.542 5.358 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)cc(Br)c1Cl 587901147 YUDUJVTZMAYJHF-UHFFFAOYSA-N 370.073 5.473 30 1 FKEF CCCCCC=CCC=CCCCCCCCC(=O)C1=C(O)CCCC1=O 2356462474 STXYVJQAMKHXJI-UHFFFAOYSA-N 374.565 6.934 30 1 FKEF CCCCCCCCCCCC=CC=CCCCC(=O)OC[C@H](O)CO 2356464253 CEPAYHKRLMYIBN-OAQYLSRUSA-N 368.558 5.086 30 1 FKEF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(C(C)=O)=CC[C@]4(C)[C@H]3CC[C@]12C 2356543053 CPCJRYTXAKLNNM-CXJHFUFTSA-N 358.522 5.086 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](C)/C=C(\C)C(=O)OC 85642831 VEWBKTMTANDWQA-JBCNATCCSA-N 352.603 7.613 30 1 FKEF C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2c1cccnc1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C 141923591 FRSPDRIARDOSKB-NEIMMDAUSA-N 359.513 5.463 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)OC(C)(C)C)cc1C 587901218 WBZRXQATRRWZEF-UHFFFAOYSA-N 356.849 5.012 30 1 FKEF CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(C#N)n1 58512587 IIQHDIHUXYCPLT-UHFFFAOYSA-N 359.273 5.005 30 1 FKEF CCCCCCCCC/C=C/CCCCCCC(=O)Cc1cccc(O)c1 238775058 GIVJKSRWUFQGDW-ZHACJKMWSA-N 372.593 7.541 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@@H]4CC[C@@H]13 255259065 PHBLQXXYZFXKQX-QNKFGOHQSA-N 367.577 5.395 30 1 FKEF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2CCC(=O)C[C@]21C#N 474609314 PGVYQAOHTQPNMH-DKOCHQKSSA-N 355.522 5.087 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C#N)c(Oc2ccccc2)c1 587903950 WIEQGPRTDCNXTR-UHFFFAOYSA-N 359.812 5.412 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2cc(OCC(C)C)ccc2c1 587907687 OJEZPUNGADROIL-UHFFFAOYSA-N 364.872 5.936 30 1 FKEF CC(C)c1ccc(/N=C2\CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN23)[C@@H]45)cc1 1911570724 MDLSUBWBOMZLSL-GWYHXDICSA-N 365.565 5.199 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(OCC)C1=O 2356799413 UKXDPPLUHNQGRE-DQOBCGMHSA-N 356.506 5.174 30 1 FKEF COc1cc(Nc2c(C#N)cnc3ccsc23)c(Cl)cc1Cl 13586612 GYHITVOJOKDCCI-UHFFFAOYSA-N 350.230 5.227 30 1 FKEF CCCCCCCCCCC(C)(C)C(=O)Nc1c(CC)cccc1CC 36349440 FBRAMUFBRPEQDV-UHFFFAOYSA-N 359.598 7.307 30 1 FKEF CCCC/C=C/COC[C@@H](O)COC(=O)CCCCCCCCCC 85835031 AQZFORIMCWMRNP-UPTIQUDWSA-N 356.547 5.184 30 1 FKEF endogenous,in-man CCCCCCCCOC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169321551 MPVLPIQMXJGQFG-SDFYBUASSA-N 366.542 5.358 30 1 FKEF Cc1cc(C)c(Oc2nc(Nc3ccc(C#N)cc3)cn3ccnc23)c(C)c1 219786100 RAYZQYFQVRHKQX-UHFFFAOYSA-N 369.428 5.062 30 1 FKEF C#CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587107718 UJLGTLJDSQQFTO-UHFFFAOYSA-N 361.400 5.125 30 1 FKEF CCCCCCCCCCCCCCCc1cc2c3c(cccc3n1)CC2 587214720 WXFCKHXDUWFDCU-UHFFFAOYSA-N 365.605 7.967 30 1 FKEF CC/C(=C\c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587966472 HWQOJANQQWPEQQ-UKTHLTGXSA-N 355.363 5.712 30 1 FKEF C[C@]12CC[C@H]3[C@@H](C=CC4=C(O)C(=O)CC[C@@]43C)C1=CC=C2c1cccnc1 1772577658 OVJPNGCRJYHHBM-SWZCZGJTSA-N 359.469 5.189 30 1 FKEF CCCCCCCCCC=CCCCCc1cc(=O)c2ccccc2n1C 2356408606 KQTWSEHIMOOXFF-UHFFFAOYSA-N 367.577 6.948 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCc1occc1COC(C)=O 2356727685 RKLNNMGJYWCKNZ-KJXAQDMKSA-N 358.522 6.074 30 1 FKEF C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1C/C=C/c1ccc(F)cc1 13590020 OUARQPHHMTUCEM-OGRYVNHKSA-N 368.521 5.710 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C[C@H](c4ccccc4)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 253635437 LVJHBULIPHDPOH-KHODRUNXSA-N 362.513 5.481 30 1 FKEF N#CCCCCCCCCCCCCCCCCCc1ccc(C=O)[nH]1 15217520 SXHKKZXTGDJRLO-UHFFFAOYSA-N 358.570 7.135 30 1 FKEF biogenic CCCCCCCCC#CC/C=C\C=C\Sc1ccc(C(=O)OC)cc1 43409017 BRDUUXGEDXHNPI-YTUZWTBYSA-N 370.558 6.779 30 1 FKEF CCCCCCCCCCCC(=O)N(C)c1nc(-c2ccccc2)cs1 95583635 XHGNEMZJGKKTGD-UHFFFAOYSA-N 372.578 6.694 30 1 FKEF CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)C#N)(c1cccc(C)c1)CC2=O 587467127 CQEDFSQZTIVEDA-WAIKUNEKSA-N 363.457 5.064 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2nc3cc(N)ccc3o2)c1 587905522 XWFJQFSVMQAXGX-UHFFFAOYSA-N 374.827 5.139 30 1 FKEF C=C1CCCC(C)(C)[C@@H]1CCC(C)=CCCC(C)=CCCC1=CC(=O)OC1 2356423363 WHYDZULPKRRAKT-HSZRJFAPSA-N 370.577 7.085 30 1 FKEF C=C1CCC[C@@]2(C)[C@@H](CCC(C)=CC(=O)O)[C@@](C)(CCC=C(C)C)CC[C@H]12 2356792815 GVNLWAMQXITKTC-BPJRBCGYSA-N 372.593 7.323 30 1 FKEF CCn1c(C/C=N/c2ccccc2)[n+](CC)c2cc(Cl)c(Cl)cc21 777890 FTBUTYHYFSBLIO-SSDVNMTOSA-N 361.296 5.220 30 1 FKEF CN(C)c1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1 1660734 ZYTXKXKNGGKJNB-HZHRSRAPSA-N 357.482 5.780 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)C3CCC(CCCO)CC3)s2)s1 85592369 XWSHXUDNNYTXKR-UHFFFAOYSA-N 372.555 5.610 30 1 FKEF biogenic,in-vitro CC[N+]1(C)[C@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 101505054 KVABVPFNUZZHGO-OBEJDGEISA-N 359.537 5.294 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cn3ccsc3n2)cc1 587920146 BGELNLJRZFLEGU-UHFFFAOYSA-N 364.857 5.125 30 1 FKEF CCCCCCCCn1cc(CN2CCCCCC2)c2cccc(F)c21 1772652275 GBIBSJBOYVAOQB-UHFFFAOYSA-N 358.545 6.517 30 1 FKEF Cc1c(Nc2c(C#N)cncc2/C=C\c2ccccc2)ccc2[nH]ccc12 45259553 JSBPEIYUYLNLLN-FPLPWBNLSA-N 350.425 5.657 30 1 FKEF CC(C)=CCC/C(C)=C\Cc1c(O)ccc2c3c([nH]c12)C(=O)C=C(C)C3=O 214630466 SVBNPBFKMYVLCL-ZSOIEALJSA-N 363.457 5.434 30 1 FKEF C=C(C)CCOc1c2ccoc2c(OCCC(=C)C)c2oc(=O)ccc12 238739764 HCRFZKSQMNOHFA-UHFFFAOYSA-N 354.402 5.229 30 1 FKEF COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)[C@H]2c1c[nH]c2ccccc12 299841469 ZYUKIYCEWARRJA-JOCHJYFZSA-N 373.452 5.344 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2nc3ccccc3[nH]2)c1 587905130 MHFMKPNAFQIXCK-UHFFFAOYSA-N 358.828 5.292 30 1 FKEF C=C[C@@]1(Cc2ccccc2F)c2ccsc2CCN1Cc1ccco1 962714500 WDUNFANFMWUCRI-OAQYLSRUSA-N 353.462 5.163 30 1 FKEF Cc1cc(C)c(Oc2cnc([N+](=O)[O-])c(Nc3ccc(C#N)cc3)c2)c(C)c1 1857638828 CKYSDRQIAJTVDC-UHFFFAOYSA-N 374.400 5.323 30 1 FKEF CC[C@H](C)CCCCCCCCCCCC(O)=C1C(=O)CN(C)C1=O 2356673930 RXRWOJMGCVBNQH-KRWDZBQOSA-N 351.531 5.177 30 1 FKEF C=C1Oc2cc3c(c(OC)c2C1(C)C)c(=O)c1cc2ccccc2cc1n3C 26485497 JQRQGQPZTLWUES-UHFFFAOYSA-N 371.436 5.037 30 1 FKEF C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@H]([C@@H](C)CCC(=O)O)CC[C@@H]12 89469923 JJEWWCWHZFDCDG-OZVRQGLSSA-N 372.549 5.658 30 1 FKEF C=CCc1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137576 BQAKMBHANYWMSS-UHFFFAOYSA-N 365.633 5.513 30 1 FKEF CC#CCCCCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 587957398 ZGSKOBAEZRGGNL-UHFFFAOYSA-N 369.253 5.510 30 1 FKEF Brc1ccccc1C(=NNc1ccccc1)c1ccccc1 2356309533 OOSKFJVLMLRAJC-UHFFFAOYSA-N 351.247 5.314 30 1 FKEF C(=Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1c2ccccc2-c2ncccc21 2356309700 FTWGTGMBYKNUIF-VWLOTQADSA-N 358.444 6.168 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@]3(C[C@]12C)[C@H](C)CC[C@@H]1C(C)(C)[C@H](O)CC[C@@]13C 2356334958 QSKNABACZZQUJZ-FFHAODPDSA-N 372.549 5.188 30 1 FKEF CCCCCCC=CC[C@H](CCCCC)CC[C@H](CCN)CCC(=O)O 2356745850 AHYZOUABZXHJSR-VXKWHMMOSA-N 367.618 6.710 30 1 FKEF [N-]=[N+]=Nc1cccc(-c2cc(I)cc3cccnc23)c1 13814070 PBIQIEZSLAPKDM-UHFFFAOYSA-N 372.169 5.448 30 1 FKEF in-vivo CCCCCCCCC(C)(C)C(=O)Nc1c(C)cc(C)c2c1OC(C)(C)C2 36349380 BVAIDKNIRGVTOY-UHFFFAOYSA-N 373.581 6.732 30 1 FKEF C/C(O)=N\c1cccc(Nc2cc3[nH]c(-c4cccc(F)c4)cc3cn2)c1 74372933 QIJHAKFITNAHDY-UHFFFAOYSA-N 360.392 5.721 30 1 FKEF C#C[C@@H](O)/C=C/CCCCCCCCCCCCCC/C=C/[C@@H](O)C#C 96914857 KJWNXSBXDZJMLB-BYFFCTOFSA-N 358.566 5.548 30 1 FKEF N#Cc1ccc2c(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)coc2c1 587278890 AMRAMQLBJQDZBZ-QHCPKHFHSA-N 369.445 6.021 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2cc(-c3nnc(C)o3)ccc2c1 587908084 UARASQODDFDEHC-UHFFFAOYSA-N 374.827 5.260 30 1 FKEF CCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(C)cc2)c1C#N 653721390 ILHIYINUTNVHOM-UHFFFAOYSA-N 354.409 5.741 30 1 FKEF CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C/C(=N/O)[C@@](C)(CC[C@@H]21)C3 1857554167 OMALUWGOWZYSCJ-KETIWNPJSA-N 361.526 5.183 30 1 FKEF COC(=O)CCCCCC#CC=CCCCCC#CC=CBr 2356572444 BIFMCMMCEXHRNM-UHFFFAOYSA-N 365.311 5.142 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(C34C=C[C@@H]5CC[C@@H](C=C3)C5(C)N4)=CC(C)=C2C1 2356775817 BXGIBPZRFLGZCR-NUEBRDDISA-N 361.573 6.268 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CCc2ccc(OC)cc2C1 42923962 YCLULZYTDQDDEB-DEOSSOPVSA-N 373.625 6.843 30 1 FKEF CCCCCCCCO[C@@H]1c2cc(Cl)ccc2OC[C@H]1n1ccnc1 43379654 SWSUELLDBCHFTF-UYAOXDASSA-N 362.901 5.588 30 1 FKEF CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)CCC)CC2)cc1 102894418 ARWSHRKSIHBQCG-SOAUALDESA-N 358.634 7.102 30 1 FKEF O=C(O)CCC/C=C\C#CCCCCCCCC/C=C/Br 166217984 FHUYQYYXNIMLPO-RDCZQFDASA-N 355.316 5.830 30 1 FKEF CON=C(c1cccs1)c1ccccc1COc1cc(C)ccc1C 472780359 BKCFERQFFHZYPY-UHFFFAOYSA-N 351.471 5.343 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587824636 XZIUVYSIGXHYLX-HXYMJUCXSA-N 366.318 5.330 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@H](C)[C@]2(C)Cc1cc(C(=O)OC)cc(O)c1O 2356533603 LYISFTUSDUUZOY-REIWIRAVSA-N 372.505 5.226 30 1 FKEF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2c1csc(N)n1 254012053 LBSHCMQCZQSXKN-YMDUPTGGSA-N 370.562 5.341 30 3 FKEF CCCCCCCCCCCCCCCC(=O)C[C@@H](O)CCCCC 86001442 GGVGQHOCWYXITR-QFIPXVFZSA-N 354.619 7.368 30 1 FKEF endogenous,in-man C[C@@H]1/C(=N/N=C/c2ccco2)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 103296587 JDHQHTPTHOGYCV-ZGEGHHSJSA-N 357.457 5.167 30 1 FKEF CCCCCCCCCCCCC/C=C\CC/C=C/CCCC(=O)OC 238782037 BPMDJBLHOBBFPO-QJAOKCPOSA-N 364.614 7.923 30 1 FKEF CCCCCCCc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279393 IQLLOZFYPLSDDU-UHFFFAOYSA-N 365.429 6.085 30 1 FKEF Cc1csc(Nc2ccc(-c3nc(-c4ccc(C#N)cc4)cs3)cc2)n1 587921733 VRWBRNHOQZQINF-UHFFFAOYSA-N 374.494 5.857 30 1 FKEF CCC[C@H](C)[C@]1([C@@H](C)CC)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963197984 UOQDRYGZMAWHJG-KPOMPZIKSA-N 374.572 6.487 30 1 FKEF C=C(C)[C@@H]1CC2=C(C)C=C[C@]34C[C@H](C5(O)CCCC5)C[C@@H]3CC[C@@H](C1)[C@@]24C 2356545148 NFJOKXMTRSOFNT-VTSYCQLTSA-N 366.589 6.593 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)CC=C(C)CCC=C(CO)CC[C@H]3[C@H]12 2356575169 DCNGLOIOZYSSRI-KFEALIJWSA-N 356.594 6.840 30 1 FKEF CCCCCCCCCCCCCCCC[N+]1(C)CCCCCCC1 49680319 DKXRSRKLNOBZQN-UHFFFAOYSA-N 352.671 7.878 30 1 FKEF Cc1ccc(OC2=C(Sc3ccccc3)C(=O)c3ccccc3C2=O)cc1 73138183 IAKRBGZFQVLMFP-UHFFFAOYSA-N 372.445 5.457 30 1 FKEF CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc21 6341069 MJAGNXUIBFGLQC-DHZHZOJOSA-N 369.420 5.439 30 1 FKEF CC#COc1nc2ccccc2c(-c2ccncc2)c1-c1ccc(F)cc1 29039987 FXNXYUGYSIIOPZ-UHFFFAOYSA-N 354.384 5.463 30 1 FKEF C=C(CNC(=O)CCCCCCCCCCCCCCCC)C(=O)OC 85893971 RBRHOMONKQGTRO-UHFFFAOYSA-N 367.574 5.703 30 1 FKEF biogenic CCCCCCCCC[C@]1(O)CCC[C@@H](c2ccc(O)c(OC)c2)O1 85924081 YTTWJBFVZNJZHS-PZJWPPBQSA-N 350.499 5.472 30 1 FKEF biogenic C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/N=C/c1cccs1 169338327 LSICDTRQADIFNW-HPCQEULDSA-N 359.907 5.052 30 1 FKEF N#CC[C@]1(c2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509348 ZBMGOKDRRIJKDU-OAQYLSRUSA-N 369.823 5.132 30 1 FKEF C=CC[C@H](O)[C@H](C)CCCC(C)=CCC(=CCl)Cc1ccc(O)cc1 2356797676 OHHGQMCXEQGHPS-GCJKJVERSA-N 362.941 6.137 30 1 FKEF CCCCCCCCc1ccc(-c2cccc(N3CCNCC3)n2)cc1 73198822 JNVAVFCWJLIDCC-UHFFFAOYSA-N 351.538 5.061 30 1 FKEF COc1cccc(NC(=O)Nc2ccc(/C=C/C(=O)c3ccccc3)cc2)c1 73386632 NRAWKNVQXUAOIK-NTCAYCPXSA-N 372.424 5.235 30 1 FKEF C=CC[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 101505071 XWHJREUWFMMSHD-PGTVFPJISA-N 371.548 5.460 30 1 FKEF CCCCCCCc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404043 CFMNFNQZEFWYBB-XMMPIXPASA-N 365.517 5.971 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(OCc2cccc(F)c2)c1 587916813 RTKMBTSBAFJNMB-UHFFFAOYSA-N 366.819 5.467 30 1 FKEF CCCC=CC(=O)CCc1cc(CCCOC)c(O)c(OC2CCCC2)c1 2356370463 AIJCIWFJSPLSAX-UHFFFAOYSA-N 374.521 5.151 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2C(=CCC=C(C)C)[C@H](OC)O[C@H](OC(C)=O)[C@@H]12 2356386861 YWNFEGSZFPYUPC-PNJWGLBASA-N 374.521 5.470 30 1 FKEF CCCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](O)CO 2356397963 SJQQXPNOXOIRKD-OAQYLSRUSA-N 368.558 5.086 30 1 FKEF CCCC#CCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13557638 DDWKWDCODVKKDZ-WOJBJXKFSA-N 352.518 6.129 30 1 FKEF COc1cc(/C=C/C(O)=C/C(=O)/C=C/C2=C(C)CCCC2(C)C)ccc1O 101829773 WTYOGCZCCDDILY-QPDYONAKSA-N 368.473 5.508 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc(/C=C/c3ccc(Cl)cc3)cc2)cc1 103297767 YOWRBMZRNDHWMB-CUQLSPFUSA-N 374.867 6.415 30 1 FKEF O=C(Nc1cccc(Cl)c1)O/N=C1\CCCC[C@@H]1Cc1cccs1 140254760 AGVVTAXHVDCUGG-AJMWVYNUSA-N 362.882 5.739 30 1 FKEF C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](NC(=O)NCCc3ccccc3)[C@@H]12 199296611 YPAHERAMILUYQP-HYVLGVRCSA-N 368.565 5.326 30 1 FKEF CN[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C 255193490 AJAVHIZBCQNHJK-HBBKNZPMSA-N 369.593 5.379 30 1 FKEF C=CCc1cccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c12 587003995 OKIIAOFRMMXGNJ-UHFFFAOYSA-N 367.246 5.776 30 1 FKEF COc1cccc(/C=C2\CCC/C(=C\c3cccc(Cl)c3)C2=O)c1OC 1857652434 GWYUQJIXKPJAOQ-DEGBXGGYSA-N 368.860 5.577 30 1 FKEF C=C(C)[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(OC)CC[C@]21C)CC 2356400468 ABMLEQSWYRYDQS-XAFQUIJGSA-N 358.522 5.433 30 1 FKEF C=C1CCCC(C)(C)[C@@H]1CC[C@H]1C=Cc2c(cc(C)c(C(=O)O)c2O)O1 2356621871 STQDERKIAALZBL-NVXWUHKLSA-N 356.462 5.336 30 1 FKEF C=C1Cc2cc(C(=O)O)cc(O)c2O[C@@H]1CC/C=C(/C)CCC=C(C)C 14658250 XBOKPWYVDNVFMX-TXRMIHFUSA-N 356.462 5.423 30 1 FKEF endogenous,in-man CC(=O)OCc1sc(SC(C)C)c(C#N)c1-c1ccc(Cl)cc1 45254981 VPABECBULDFRDG-UHFFFAOYSA-N 365.907 5.504 30 1 FKEF CCCCCCCCNCCCSCCCNCCCCCCCC 48307285 ZLEQTKOMMWTZGL-UHFFFAOYSA-N 372.707 6.400 30 1 FKEF CCCCCCCCCCC[C@@H](Cc1cc(O)cc(O)c1)OC(C)=O 86002282 RTGVWTSNGMNSBW-NRFANRHFSA-N 350.499 5.493 30 1 FKEF biogenic C#C/C=C\CCCCCCCCC#CCCC(=O)NCCc1ccccc1 135966483 SHXHAJNGQUTIEX-ARJAWSKDSA-N 363.545 5.439 30 1 FKEF CCCCCCCCC=CCCCCCCCC=C[C@@H](O)C#CC#CCO 2356679993 OQJJHNNWSRRUMI-RUZDIDTESA-N 372.593 5.940 30 1 FKEF C=C(C)[C@@H]1C[C@]2(C)C(=CC1=O)C=C[C@H](OC(=O)C=CC=C[C@H](C)CC)[C@H]2C 2356764440 ICTLXILJPBBAPB-STDWZSPESA-N 368.517 5.360 30 1 FKEF C=CCN1CCN([C@H](c2ccccc2)c2ccc(-c3cccs3)cc2)CC1 28760612 LIQDRNWYHJPONU-XMMPIXPASA-N 374.553 5.308 30 1 FKEF O=C1/C(=C\N=N\c2cccc(Cl)c2)Nc2ccc(Br)cc21 49111103 SEFWSCMMNSPXJM-LYQDZYHDSA-N 362.614 5.336 30 1 FKEF CC(C)Nc1nc(Nc2ccc(Cl)cc2)nc(-c2ccccc2)c1C#N 95590169 AYSJBFUEUZRWQU-UHFFFAOYSA-N 363.852 5.233 30 1 FKEF CCC1=C(O)c2c(oc(-c3cccc(C)c3C)cc2=O)C(CC)(CC)C1=O 101616501 HDPSNABZVHEUCD-UHFFFAOYSA-N 366.457 5.243 30 1 FKEF CC(C)(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)cc1 169432585 PTJSJRNIPATLFA-KSTNYAOJSA-N 372.552 7.112 30 1 FKEF CCC=CCCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@@H](CCCCCCC)N[C@H](N1)N23 2356871327 XZSKTGNMJSNDED-ZQGJOIPISA-N 361.618 5.324 30 1 FKEF C=CCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCC)O1 14113511 XJYQGNNBDGDYCE-DXBBTUNJSA-N 354.575 5.533 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3CCCO)s2)s1 85592362 SHZNWUJGCWLQOJ-GOEBONIOSA-N 358.528 5.220 30 1 FKEF biogenic,in-vitro CCCCCCCCCCn1cc(-c2cc3ccccc3oc2=O)nn1 95573686 YXEGXUSDONFRKZ-UHFFFAOYSA-N 353.466 5.192 30 1 FKEF Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2[C@H](C)CCC[C@H]2C)c(C)c1 101828609 PXEOHFPZMACPBL-LOLMUTCCSA-N 367.493 5.198 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)c2ccc(F)cc2)c1 587916333 HSWUMGAPHCTHEE-UHFFFAOYSA-N 364.803 5.119 30 1 FKEF C=CCN(C(=O)[C@@H](C1CC1)[C@@H](O)c1ccc2ccccc2c1)c1ccccc1 203466877 NDPFDSTUWFHTQC-ZEQRLZLVSA-N 371.480 5.119 30 3 FKEF CCCCCCCCCCCCCCN[C@@H]1CCc2cc(O)ccc2C1 42965721 MZKYQUTYNMIMIP-HSZRJFAPSA-N 359.598 6.540 30 1 FKEF C=CC[C@@](C)(N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 64415752 SIXOZLLJMVGYIE-STPKKNLZSA-N 357.582 5.220 30 1 FKEF CCCCCCCCC/C=C/c1cc(=O)c2ccccc2n1CCCC 71295162 WTRMLYQAWRJTOI-DTQAZKPQSA-N 353.550 6.956 30 1 FKEF C[C@H](c1cccc(C#Cc2ccc3c(Cl)c(CN)sc3c2)c1)N(C)C 72109918 WWPNWGYPDKSGRS-CQSZACIVSA-N 368.933 5.036 30 1 FKEF CCCCCCCC[C@@]1(O)OC(=O)c2c(OCc3ccccc3)cccc21 84689865 XSJKOMDWFNLRSZ-HSZRJFAPSA-N 368.473 5.332 30 1 FKEF COc1ccc2sc(C(=O)c3coc4cc(C#N)ccc34)c(Cl)c2c1 587280052 ZJGHOCGSIKKOAZ-UHFFFAOYSA-N 367.813 5.412 30 1 FKEF N#Cc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784075 KKVNJTGTODNZMZ-UKTHLTGXSA-N 351.409 5.184 30 1 FKEF C(=C/c1ccccc1)\C(=N\Nc1nncc2ccccc12)c1ccccc1 1772577259 IUZQUGLOCXBWCX-QCGZKTFGSA-N 350.425 5.159 30 1 FKEF N#Cc1ccc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)s1 1857773056 TYVFYJAYNAHZOE-UHFFFAOYSA-N 361.253 5.568 30 1 FKEF CC=C1C(=O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](NC)CC[C@]45C[C@@]35CC[C@]12C 2356428895 BJDBLZLWPJZWEU-YQXZXELFSA-N 367.577 5.443 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(C34CC[C@@H]5CC[C@@H](CC3)C5(C)N4)=CC(C)=C2C1 2356777228 PQFMZJXBQQHCND-NUEBRDDISA-N 365.605 6.716 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C)=CC[C@H]12 2356794854 LMVLXXBDZWFCKB-JBRFXWQVSA-N 352.562 6.679 30 1 FKEF C=CC[C@@H](Nc1ccc(OC)cc1)c1cn(C(=O)OCC)c2ccccc12 28646666 RRBFKAGUKIDUCF-HXUWFJFHSA-N 364.445 5.384 30 1 FKEF CCCCCCC[C@](C)(CCCCC)OC(=O)c1cnc(Cl)cn1 43352423 NMOHGELNHONNKK-IBGZPJMESA-N 354.922 5.986 30 1 FKEF CCCCCCCCCCCCc1ccc(NC(=O)C2(C(=N)N)CC2)cc1 49781394 XNZNCMNYGAVLOU-UHFFFAOYSA-N 371.569 5.805 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC 96906276 XSVWQYRHOQUIEF-UHFFFAOYSA-N 369.658 6.022 30 1 FKEF CCCC/C=C/CCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O 103188283 KQWFKXIAVOXCLU-VOTSOKGWSA-N 362.510 6.040 30 1 FKEF CCCCCCCCCCC/C=C/CCCOc1ccc(C(=O)O)cc1 169344859 ARKWQSBLJYVJDQ-OUKQBFOZSA-N 360.538 7.021 30 1 FKEF C=CCCCCCCC#CCCCCCCCC[C@@H]1C[C@@H](CO)OC1=O 199771930 IGIJVQKQLNOUGZ-YADHBBJMSA-N 362.554 5.561 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1cc(Cl)cc(Cl)c1 299835816 XMWBBRQBLFEARM-GFCCVEGCSA-N 365.281 6.002 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2cc3ccccc3[nH]2)c1 587904949 FPDXRQRQLRNOQE-UHFFFAOYSA-N 357.840 5.897 30 1 FKEF C[C@H](C=O)CCCCCC[C@H](CCCC=CC(=O)O)C1CCCCC1 2356579476 DBJHMPRBVXWVSB-VQTJNVASSA-N 350.543 6.170 30 1 FKEF CCCCCCCCCCCCCC=CCCC(=O)N[C@@H](CO)COC 2356751010 IAONXYMLFOCVGA-NRFANRHFSA-N 369.590 5.147 30 1 FKEF C=C(C(=O)O)[C@@H](CCCCCC/C=C\CCCCCCCC)C(=O)O 14276291 BQGIGMHUCMNPDK-OEIFXAAASA-N 352.515 5.975 30 1 FKEF CCCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C 38157504 UJGPYZTZIBKMHJ-LADGPHEKSA-N 357.606 5.834 30 1 FKEF COc1cc(/C=C/C(=O)CC[C@@H]2C(C)=CCCC2(C)C)cc(OC)c1OC 40916636 XLQZPLQDVYMMKP-JBVUFVISSA-N 372.505 5.457 30 1 FKEF Cc1cccc(Oc2ccc(/C(=N/O)N[C@@H]3C[C@H](C)CC(C)(C)C3)cn2)c1 72103290 CAOIEAMMVKURIU-FUHWJXTLSA-N 367.493 5.123 30 1 FKEF CCC(CC)N/C(=N\O)c1ccc(Oc2cc(C)cc(C(C)C)c2)nc1 72185391 YOYKJFIQWBKQRC-UHFFFAOYSA-N 355.482 5.220 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CC 84651501 CKLLUIWAABQSJZ-AXUYNXDZSA-N 354.575 6.338 30 1 FKEF N#CC[C@@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587502895 GBZKDKQKNKHXFE-QHCPKHFHSA-N 357.409 5.086 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(CN=O)cc(C(F)(F)F)c1 587914103 XSFFFKGBPJRHQK-UHFFFAOYSA-N 353.727 5.034 30 1 FKEF CCCCCCCCC=CCCCCCCCCCc1cc(O)cc(O)c1 2356348908 KQGVEZGOGSMUMX-UHFFFAOYSA-N 374.609 8.068 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)[C@@H](CC(C)=CC(=O)O)OC(C)=O 2356544909 IGGKHPWWCRUXBE-ZNSCVOQBSA-N 362.510 5.138 30 1 FKEF CCCCCCCC(=O)CCCCCCCCCCCCCC(=O)OC 238741626 RYZBYQFFSOSFIC-UHFFFAOYSA-N 368.602 7.160 30 1 FKEF C=CCc1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587041999 RGGWFRZDBKJHJB-UHFFFAOYSA-N 368.527 5.349 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(NC(C)=O)c(C(C)(C)C)c1 587901974 CJAGTIGNYZLRTH-UHFFFAOYSA-N 355.865 5.004 30 1 FKEF CCCCCCCCC=CCCCCCCCCC[C@H](O)C#CC#CCO 2356433573 NKDFAYUSKHUVJW-VWLOTQADSA-N 374.609 6.164 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C(C(=O)O)[C@H](C)[C@@H]3CC[C@]12C 2356501396 YGVKQUJGWNEGIG-UJSPUYDYSA-N 370.577 6.789 30 1 FKEF C=CC[C@@H](CC/C(C)=C/C=C\CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC 13473229 LUEYTMPPCOCKBX-ROLIPQDHSA-N 373.606 6.367 30 1 FKEF CCCCCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 36294766 IDICPTJZTJUWIB-RTWAWAEBSA-N 366.545 6.519 30 1 FKEF CCCCCCCCCCCCCC[C@H](C)Nc1ccc(C(=O)O)cc1 44201974 QFEKOZJHYWVHDH-FQEVSTJZSA-N 361.570 7.276 30 1 FKEF CCCCCCCSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344225 KJSNNKBWTXQJLG-LDGZTXJUSA-N 368.583 5.685 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc(O)cc1 200909563 HKUIGLREWVTEHA-KTKRTIGZSA-N 373.581 7.368 30 1 FKEF Cn1c(-c2ccccc2)c(-c2[nH]c3cc(F)ccc3c2C#N)c2ccccc21 587636354 XWAOEPMYDVNOKT-UHFFFAOYSA-N 365.411 6.004 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(C#N)c2c1 587639023 MPVFDOWGDOTGSZ-LBPRGKRZSA-N 353.263 5.983 30 1 FKEF CCCCCCC[C@H](C(=O)OCC)[C@@]1(C)NCCc2c1sc(C)c2C 963012913 RMQLXEFOJIANNM-WIYYLYMNSA-N 365.583 5.266 30 1 FKEF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@H]3O[C@]3(C)CCCC2(C)C)cc1 2356389805 HQQJSFUWZFJWEU-TXTKFYIRSA-N 372.505 5.315 30 1 FKEF C=C1CC[C@H]([C@H](C)CCC=C(C)CO)[C@H]2[C@@H]1CCC1=CCCC(=C)[C@H]2C1 2356600681 UTURTWRYGLGHFA-BQJLFWIDSA-N 354.578 6.616 30 1 FKEF CC1=CC=C[C@@H](C#N)[C@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 36248259 SLJJMUAVIJMROI-PMOQBDJRSA-N 352.481 5.178 30 1 FKEF CCCCCCCCCCCCCC[C@@H](C)Oc1ccc(C(=O)O)cc1 169344838 WACPEUSXIKNXPH-HXUWFJFHSA-N 362.554 7.243 30 1 FKEF C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)C=C[C@H](OC(=O)/C=C/C=C/[C@H](C)CC)[C@@H]2C 238784858 ICTLXILJPBBAPB-BHEBINCOSA-N 368.517 5.360 30 1 FKEF CCCCCCCCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587488261 IRZYACTYQUYRJS-GOSISDBHSA-N 360.538 6.599 30 1 FKEF C=CC[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824837 ZCUOBFGGHJTVIN-WPKBUWHJSA-N 352.291 5.084 30 1 FKEF CCCCOc1cc(C#Cc2cc(Cl)ccc2OC)c(Cl)cc1N 587901182 VHUJSPBQPMOMRB-UHFFFAOYSA-N 364.272 5.163 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(Cl)cc(Cl)c(F)c1Cl 587915589 UXLUVQZQVMSVOZ-UHFFFAOYSA-N 364.030 5.848 30 1 FKEF CCCCCCC=CCCCCCCCC(=O)Cc1cc(O)cc(O)c1 2356491650 MKUILHVVIUZXIN-UHFFFAOYSA-N 360.538 6.467 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)CC=C(C)CCC=C(C(=O)O)CC[C@@H]3[C@H]12 2356640488 DTOMDHDCRRDBTA-LJDQNPOQSA-N 370.577 6.933 30 1 FKEF CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=C[C@@H]2c1ccc(Cl)cc1 101351159 WFVNAYORKPDMLJ-GOSISDBHSA-N 363.888 5.711 30 1 FKEF O=C1CCCCCCCCCC/C(=N/OCc2ccccc2)CCCN1 103167128 OQPBTEVPQOWRFI-FLFQWRMESA-N 358.526 5.370 30 1 FKEF CCCCCCCCCCCCC/C=C/C1=C(O)C(=O)C=C(OC)C1=O 214791452 VXPOFKWNVUZZOP-FOCLMDBBSA-N 362.510 5.738 30 1 FKEF O=C1C[C@@H](c2ccc(Cl)cc2)CC(O)=C1Sc1ccccc1Cl 299830645 XMZUSIPYMLFMIF-LBPRGKRZSA-N 365.281 6.002 30 1 FKEF C[C@@H]1C[C@@H]1c1ccc([C@@H]2c3ccccc3CCN2[C@@H](C#N)c2ccccc2)o1 963192986 JPEQHVVDFLMDDH-KJMJZGGDSA-N 368.480 5.615 30 1 FKEF CCC1(C2=CC(=O)C=C(OC)C2=O)CCCCCCCCCCCCC1 2356340342 MPAWFPMYVNEJCA-UHFFFAOYSA-N 360.538 6.076 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)CCC[C@H](O)CCCCC)s2)s1 2356352246 PUBIZFHLVTXAMD-MRXNPFEDSA-N 374.571 6.142 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2C(=CCC=C(C)C)[C@H](OC)O[C@@H](OC(C)=O)[C@H]12 2356386860 YWNFEGSZFPYUPC-JMJGKCIBSA-N 374.521 5.470 30 1 FKEF CC(C)CCCCCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356645779 DOKONNWENRHBTP-QGZVFWFLSA-N 351.531 5.175 30 1 FKEF C=C1COc2cc([C@H](C)[C@H](C)CCCCC)cc(O)c2[C@H]2C=C(C)CC[C@@H]12 40720174 XSVGNKMGHGRMPZ-IVOMFYJKSA-N 368.561 7.101 30 1 FKEF C[n+]1cccc(N(CCCCCC2CCCCC2)c2ccc(C#N)cc2)c1 66156666 HJYHSCQLNDIBDE-UHFFFAOYSA-N 362.541 5.662 30 1 FKEF CCCCCC/C=C\CCCCCCCCCCCc1cc(O)cc(O)c1 72177073 IFIOXWORGZJDKV-FPLPWBNLSA-N 374.609 8.068 30 1 FKEF CC(=O)c1cccc(/N=C(\O)c2ccc(-c3c(C)noc3C)c3ccoc23)c1 61925731 KULUDVUNFLDQNU-UHFFFAOYSA-N 374.396 5.544 30 3 FKEF CCCCCCCC1=C/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C 85563309 FUQGYJBNZNPALU-NBVRZTHBSA-N 351.494 6.121 30 1 FKEF CCCCCC/C=C/CCCCCCCCCCCCCCCC(=O)O 85922265 OGQIJHRKHPDBAV-BQYQJAHWSA-N 366.630 8.449 30 1 FKEF C=C1C[C@H](CC)[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)C1 169307245 RQKFAFJIHIDHTD-ZQAWKMMESA-N 351.534 5.053 30 1 FKEF N#Cc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1C(F)(F)F 587032993 OUUBVWXJAFEASH-UHFFFAOYSA-N 359.332 5.041 30 1 FKEF N#Cc1nc(Cl)cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587146059 XNCGBGZZQDXRAG-UHFFFAOYSA-N 366.758 5.095 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(F)c(F)c(C(F)(F)F)c1 587914077 WHZLHIKTSWAMCX-UHFFFAOYSA-N 360.709 5.240 30 1 FKEF CCCCCCCCC=CCCCCCCCc1ccc(OC)c(OC)c1 2356427854 PBAQFLUEBPQVLX-UHFFFAOYSA-N 374.609 7.894 30 1 FKEF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 2356743200 JSHASXVESQAJJO-FKXPRRGESA-N 366.589 6.759 30 1 FKEF C=CC/N=C(\SCC)N(CCc1ccccc1)CCc1ccccc1 82052276 DLGRKRXWTDBYBW-FCQUAONHSA-N 352.547 5.069 30 1 FKEF CCCCCCCCCCCCCCC[C@@H]1O[C@@]1(C)C(=O)N[C@@H](C)CO 85856116 WTOKUHHGBBPESF-JAXLGGSGSA-N 369.590 5.122 30 1 FKEF biogenic COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Cl)c1F 587914638 AKMBYKIPFKDNNB-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)CCCCCCC)C(=C)[C@@H]3C[C@H]12 1857654417 ZUQXFXIDHCTHOV-ZJQTUCFNSA-N 374.521 5.123 30 1 FKEF CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)CC1 43443410 NCIRKXCDHJIOPB-UHFFFAOYSA-N 364.570 6.690 30 1 FKEF N#CCCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 72181055 MLXHZIAABRSIGJ-UHFFFAOYSA-N 371.362 5.281 30 1 FKEF [N-]=[N+]=Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586987677 QBTMIAAIRXLKDW-UHFFFAOYSA-N 364.364 5.761 30 1 FKEF N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587630055 PLNLOBPKFUPOBW-UHFFFAOYSA-N 354.690 5.398 30 1 FKEF C=CC(C)(C)c1[nH]c2cccc3c2c1[C@H]1[C@H](CC[C@@](C)(C=C)[C@H]1C#N)C3(C)C 2356332544 FVLJNWUXPRLMPE-QZUYBOIVSA-N 372.556 6.748 30 1 FKEF CCCCCCC[C@@H](C/C=C/CCC(=O)Nc1ccc(Cl)cc1)OC 98083252 KCTCLEFAHBPTBB-JCOOBLOPSA-N 365.945 6.381 30 1 FKEF C[C@]12CC[C@H]3[C@@H](C(c4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 118933952 OPLIQEAVVVBVAF-OWUXGNKUSA-N 360.497 5.391 30 1 FKEF C=C1CC/C=C(/C)CC[C@H](/C(=C\CC=C(C)C)COC(C)=O)[C@H]1C(=O)OC 139460735 ISIHCFKJFHDLCQ-ZMLYNIJVSA-N 374.521 5.314 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OCC)C1=O 139793720 KHYSBNREYPBDKG-OVOQHVDUSA-N 372.505 5.060 30 1 FKEF CCCCCCCCCCCCOC(=O)CCCCCCCCCC 169622343 MCUFLKKUIDNRMB-UHFFFAOYSA-N 354.619 7.981 30 1 FKEF CCCN(CCC)CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 299820273 CYXQEUZERTYIOY-XNTDXEJSSA-N 351.490 5.084 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cnc(Br)c2ccccc12 587913598 YJVQOHOEAHKXHU-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF C=Cc1ccc([C@]2(C)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1 963190996 GLRJZURJZPXCJF-CLJLJLNGSA-N 364.492 5.716 30 1 FKEF CCCCCCCCC=CCCCCCCCCCCC#CC#CCO 2356805515 ZVKFHOHJXCLKPK-UHFFFAOYSA-N 358.610 7.193 30 1 FKEF C/C(=N\c1cccc2ccccc12)C1=C(O)C[C@H](c2ccccc2)CC1=O 18028603 DVNRKHIEEDWECN-PTFSYIGCSA-N 355.437 5.891 30 1 FKEF N#Cc1ccc(C(=O)N2CC[C@H]3C[C@@H]2c2cc(-c4ccccc4)ccc23)cc1 61942488 RCGRMQNXSSTNCO-XUZZJYLKSA-N 364.448 5.300 30 1 FKEF C/C(O)=N\c1ccc(-c2cnc3ccc(-c4ccccc4Cl)nn23)cc1 82082486 ZZVSEODPWMPQRG-UHFFFAOYSA-N 362.820 5.325 30 1 FKEF C=CCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599542 GOHPPWXOXAFCAB-SIKLNZKXSA-N 352.430 5.249 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)cc(Br)c1Cl 587916994 VVUVWFCBBAZDMJ-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF CC(C)(C)c1ccc([C@]2(CC#N)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100731 JBIKMHPEGCUCRV-GBXCKJPGSA-N 362.492 5.301 30 1 FKEF C=C(C)[C@H]1CC[C@]2(C)C(=C(C)C=C(CNC3(C)CCCC3)C23CCCC3)C1 2356536834 RJOBPFMLZQOVBA-SQJMNOBHSA-N 367.621 7.108 30 1 FKEF C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](c3csc(N)n3)CC[C@H]12 254012041 LBSHCMQCZQSXKN-CQSOASKCSA-N 370.562 5.341 30 3 FKEF C=CC[C@H]1Oc2cccc(OCC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493597 FRYYOGKOYDTCBQ-LJQANCHMSA-N 361.485 6.369 30 1 FKEF CCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1 85663755 AFZOXJCUHIZZDU-QHCPKHFHSA-N 366.630 8.124 30 1 FKEF biogenic,in-vitro CCCCCCCCC/C=C\CCCCCCC(=O)c1c(O)cccc1O 85900295 WBXXVNCMCIJAIX-KHPPLWFESA-N 374.565 7.318 30 1 FKEF biogenic,in-vitro CN1[C@@H]2CC[C@@H]1CC(=NO[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 101332905 KKDOWRPMGFXDPU-NJYVYQBISA-N 354.881 5.059 30 1 FKEF N#CCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 103211885 OKZXOOOXJVOJOR-UHFFFAOYSA-N 363.635 5.096 30 1 FKEF C=C1Nc2ccc3cc(C#Cc4cc(Cl)ccc4OC)ccc3c2C1(C)C 587908886 KYNPAAYQGOLAEO-UHFFFAOYSA-N 373.883 6.118 30 1 FKEF CCCCCCCCn1cc(C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21 1857541622 YHBVHMLXFACRGT-UHFFFAOYSA-N 369.383 5.079 30 1 FKEF CC[C@@H](C)Oc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)cc2)cc1 1911586098 RMKRWAYKMLZGSS-SEFLDGGSSA-N 364.441 5.307 30 1 FKEF C=C([C@H]1CCCCC12CCCC2)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@](C)(O)[C@@H]2C1 2356769331 BJIYTQALWHFTJM-GNWGRXFHSA-N 360.582 5.622 30 1 FKEF C=C[C@]12CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OCC)[C@@H]1CC[C@](C)(C=O)C2 40864463 OBDBSWKETQIULE-DPVJEZKXSA-N 360.538 5.334 30 1 FKEF C=C(C)COc1cccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587478771 HELKNBIRZBZLHS-NRFANRHFSA-N 352.430 5.006 30 1 FKEF Cc1c(-c2cccc(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625809 NQPHNSHCGAALSE-UHFFFAOYSA-N 361.260 6.320 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2)c(F)c1 587916918 YHHONHLNADCPCA-UHFFFAOYSA-N 366.819 5.467 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587965194 IBNSMGDLHVKUNJ-YPKPFQOOSA-N 354.409 5.560 30 1 FKEF C=CCSc1nnc(-c2cc3ccccc3n2CC=C)n1-c1ccccc1 1857574405 AHQWGNLPDNWNFS-UHFFFAOYSA-N 372.497 5.353 30 1 FKEF CCCCC=CCC=CCC=CCCC1=C[C@@](OC)(OC(C)=O)CC1=O 2356510921 RKFHNCDDZZBUNK-JOCHJYFZSA-N 360.494 5.211 30 1 FKEF CCCCCCCCCCCCCC(=O)OCC=C(C)CCC=C(C)C 2356662089 BVBISCLEXKZRHD-UHFFFAOYSA-N 364.614 7.923 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1c(O)c(OC)cc2ncoc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c1ccc(Nc2nc(C)c(C(=O)/C=C/c3ccccc3Cl)s2)cc1 64512770 GSKFCHXHNXEEGY-FMIVXFBMSA-N 368.889 6.053 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccccc1F)N[C@H]2c1ccccc1F 101991090 DPBGDUIBZNSYMQ-IOCKDUEOSA-N 370.443 5.159 30 1 FKEF N#Cc1ccccc1SC1=C(O)C[C@@H](c2ccccc2Cl)CC1=O 299825764 FRDPBKSHBPITEB-CYBMUJFWSA-N 355.846 5.220 30 1 FKEF Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587109804 VLMKADHCHAIQOE-UHFFFAOYSA-N 364.220 5.286 30 1 FKEF CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2cccs2)ccc1C 1857552472 AQZIXAFCPVRCJR-UHFFFAOYSA-N 352.890 6.407 30 1 FKEF CC=CC=CCCCCCCCCCCC(=O)C1=C(O)CC[C@@H](O)C1=O 2356434399 PZRXMWHGDOILSY-HXUWFJFHSA-N 362.510 5.125 30 1 FKEF CCCCCCCCN[C]1C2=C(CC(C)(C)CC2=O)Nc2ccccc21 2356824695 GXOIYRKVIBYPRI-UHFFFAOYSA-N 353.530 5.585 30 1 FKEF CCCCCCCCCCOc1ccc2c(c1NC(C)=O)OCCC2=O 14286204 CPFIEPYRKAOQHL-UHFFFAOYSA-N 361.482 5.130 30 1 FKEF CCCCCCCc1cccc(CC/C=C\[C@@H]2CSC([C@@H]3C[C@@H]3C)=N2)c1 43285257 JJFNYMYMBCMWBD-FQWYBILGSA-N 369.618 6.858 30 1 FKEF N#CCCCCCCCCCCCCCCCCCCc1ccc(C=O)[nH]1 49034369 LDVULBCKOKWVIQ-UHFFFAOYSA-N 372.597 7.525 30 1 FKEF biogenic Cc1cc(Oc2ncccc2/C(=N/O)N2[C@H](C)C=C[C@H]2C)cc(C(C)C)c1 72184296 DREMLMHYXFMESM-OHJTVKIKSA-N 365.477 5.090 30 1 FKEF CCCCCCCCCC[C@H]1C(=O)O[C@@H]1CCSCCCN(C)C 201552767 PQFJLBYLICWOHT-RTBURBONSA-N 357.604 5.134 30 1 FKEF CCCCCCC[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809525 AKYOXPRVIQDICP-IFXJQAMLSA-N 370.350 6.088 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c3c(cccc13)-c1ccccc1-2 587911870 VTSFNVDQDNJURK-UHFFFAOYSA-N 366.847 6.549 30 1 FKEF CCCCCCCCCCCCCCCCC(O)(CC(=O)O)CC(=O)O 43422556 QOHXHBONYSQTOT-UHFFFAOYSA-N 372.546 5.538 30 1 FKEF CCCCCCCNc1ccc(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 64559437 INIYPOPUKFVZSV-FCHUYYIVSA-N 369.936 6.709 30 1 FKEF CCCCCCCCn1cc([C@H](O)Cc2ccc(Cl)cc2Cl)nn1 72125114 VYKPLZIGCGTCEH-GOSISDBHSA-N 370.324 5.222 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@@H]1O 85966408 SNHBFKBOZVBFIT-FPSOPCMLSA-N 366.586 6.336 30 1 FKEF Oc1ccc(Br)cc1/C=N\CC12CCC3C[C@@H](C[C@H](C3)C1)C2 100311223 BCZKIYCXHNYUAA-DBLTWIKOSA-N 362.311 5.180 30 1 FKEF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(C(C)=O)=CC[C@]4(C)[C@H]3CC[C@@]21C 118933798 CPCJRYTXAKLNNM-MHYDGWTMSA-N 358.522 5.086 30 1 FKEF biogenic C=CCCCCCCCCC(=O)n1nc(-c2cccc(F)c2)cc1OCC 587870810 SFYLVIUUERBOCK-UHFFFAOYSA-N 372.484 6.035 30 1 FKEF N#Cc1c(C(F)(F)F)cc(Nc2ccccc2)n2c1nc1ccccc12 1857613641 AZPJDHKUXZWCGU-UHFFFAOYSA-N 352.319 5.122 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2c1csc(=N)[nH]1 1857622529 LBSHCMQCZQSXKN-YORQRNKESA-N 370.562 5.171 30 1 FKEF O=C1/C(=C/c2ccccc2)CCC/C1=C\c1cccc(Br)c1 1857760213 ZFBLPCHYKGTUDU-PWDIZTEBSA-N 353.259 5.669 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(C(=O)O)cc(O)c1O 14710033 ZEFXWSGFOUQFSK-GCPVUHDESA-N 358.478 5.137 30 1 FKEF biogenic CC1(C)CCC[C@]2(C)[C@@H]3C=C4C(=CC(=O)C(O)=C4Cl)O[C@@H]3CC[C@@]12C 27656850 HXKJEPAKJQIAJD-ZNKWIISNSA-N 362.897 5.419 30 1 FKEF CCCCCCCCCCn1cc[n+](C2c3ccccc3-c3ccccc32)c1 72112183 QIBIZMPCUSVDPT-UHFFFAOYSA-N 373.564 6.534 30 1 FKEF CC1=C(C(=O)SC(C)(C)C)[C@@H](c2ccccc2)C=C(c2ccccc2)N1 169322827 COZFLQRHDQMCDS-LJQANCHMSA-N 363.526 5.747 30 1 FKEF CCCCCCCCCCC[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445094 HVQPEMGTMPWRMU-XXBNENTESA-N 358.522 6.122 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(OC(F)(F)F)c1 587914422 FTIKZKMXJAOPPZ-UHFFFAOYSA-N 361.146 5.300 30 1 FKEF CC(C)(C)OC(=O)n1ccc2cc(/C=C3\CCc4ccccc4C3=O)ccc21 1772637583 IYTDEHOHYYALDR-XDJHFCHBSA-N 373.452 5.637 30 1 FKEF Clc1cccc(N/N=C(\Cc2nc3ccccc3[nH]2)c2ccccc2)c1 6566789 UGWWOMGMROCAAK-LHLOQNFPSA-N 360.848 5.275 30 3 FKEF C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]12 15209507 IIZXOWSEQGPRRJ-KXLHKWQWSA-N 368.517 5.746 30 1 FKEF CCCCCCCCCCCCCOC(=O)c1cc(O)cc(O)c1O 43379661 CJQLUGIDCLACEL-UHFFFAOYSA-N 352.471 5.271 30 1 FKEF CCCCCCCCCC[n+]1cccc2c1CC[C@]1(C)CCN(C)[C@]21C 43834916 IDXVCSGPWJLLFJ-DNQXCXABSA-N 357.606 5.618 30 1 FKEF CCCCCCCCCCSc1ncnc2c1ncn2C1CCCCC1 95601015 XBVHUTWKMXASEH-UHFFFAOYSA-N 374.598 6.564 30 1 FKEF C=CCc1cccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164500 SLCADSWGXSHAQJ-NBVRZTHBSA-N 360.457 6.081 30 1 FKEF C[C@]1([C@@H](C#N)c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587505983 MXIJZBLARPMENF-PGRDOPGGSA-N 365.860 5.250 30 1 FKEF CC#CCCCCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 587957228 UAEDNCPHRDJRRV-UHFFFAOYSA-N 368.706 5.280 30 1 FKEF C=C1[C@H]2CC[C@@H](C2)[C@]1(C)CCC=C(C)COC(=O)c1ccccc1C(=O)O 2356491199 GOPWGEUCLQCLRB-IUKKYPGJSA-N 368.473 5.261 30 1 FKEF O=C(/C=C/c1ccc(/C=C2/SC(=S)N=C2O)cc1)c1ccccc1F 84742542 ITPVJIBPQQDQEP-BSDMPFPKSA-N 369.442 5.051 30 1 FKEF CCCCCCCCCCCCCCC[C@@H](O)CCC[C@@H](O)CC(=O)O 169621975 FCJIICMIGKVTBE-NHCUHLMSSA-N 372.590 5.835 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(C)(C)CCC2(C)C 587907563 NUQQAJZQNAIZNL-UHFFFAOYSA-N 352.905 6.097 30 1 FKEF CCCCn1c(C(=O)/C=C/c2ccc(Cl)cc2Cl)nc2ccccc21 1857651459 NEXFSGBQMUHHCU-PKNBQFBNSA-N 373.283 6.039 30 1 FKEF COC(=O)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356791966 JEGXOFSOVHNFEU-MYDAXSSOSA-N 372.549 5.334 30 1 FKEF CC(C)[C@@H]1C2=C(O[C@]3(C)C=C[C@@H](C(C)C)C[C@H]13)C(C)(C)C(=O)C(C)(C)C2=O 2382243211 CSYLCVIIBKDWLG-MJZOOFNFSA-N 372.549 5.354 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3ccnc4ccc(Cl)cc34)C2)cc1 36389385 XWPWTNYFPQWSGO-OAHLLOKOSA-N 363.844 5.427 30 3 FKEF Cc1c/c(=N/N=C/c2ccccc2Cl)c2cc(C(F)(F)F)ccc2[nH]1 45229689 XDTJXECGVDCQFC-AUEPDCJTSA-N 363.770 5.083 30 1 FKEF CC1CCC(=NNc2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 64417045 QDVKHDBSNKGHDG-UHFFFAOYSA-N 354.306 6.095 30 1 FKEF Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N(C)c2ccccc2)c(C)c1 72180695 DEEOGFPVDZZPEY-FLFQWRMESA-N 361.445 5.071 30 1 FKEF CCCCCCC[C@@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587404850 RYASOGQORFVWJK-QHCPKHFHSA-N 367.489 5.504 30 1 FKEF C=CCc1c(-c2ccc(Br)cc2)[nH]c2c(C)cc(Cl)cc12 587623852 SFQVOKVLKQHJOU-UHFFFAOYSA-N 360.682 6.288 30 1 FKEF CCCCCCCCCCCC[C@@H]1C[C@@H]1CCC[C@@H](O)C#CC#CCO 2356432701 JOHTYJMIIFZAKY-SGNDLWITSA-N 360.582 5.464 30 1 FKEF O=C(O)CCCC=CC#CCCCCCCCCC=CBr 2356620801 FHUYQYYXNIMLPO-UHFFFAOYSA-N 355.316 5.830 30 1 FKEF CC(C)CC[C@H](C)CCCCCCCCC(O)=C1C(=O)CN(C)C1=O 2356791306 INMIWUSYKDHVTD-QGZVFWFLSA-N 351.531 5.033 30 1 FKEF Cc1cc(N/C(=N/C2CCCCC2)Nc2ccccn2)c2ccccc2n1 26153681 VGLBBSYLMIMZAJ-UHFFFAOYSA-N 359.477 5.151 30 1 FKEF CCCCCCC[C@@H](O)CCC[C@@H](CCCCCCC(=O)O)C(C)=O 59902812 CTAWNNLCPLSSPB-WOJBJXKFSA-N 356.547 5.509 30 1 FKEF C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CCC(=O)O 89469930 JJEWWCWHZFDCDG-LZLUUCJGSA-N 372.549 5.658 30 1 FKEF N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCc5ccccc5C4)CC3)c2c1 100804678 LOEPSYRVNXADMM-XUTJKUGGSA-N 355.485 5.124 30 1 FKEF CCC[N+]1(C)[C@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 101505016 LNLHXQQVDKSMLL-JZKCUWCCSA-N 373.564 5.684 30 1 FKEF COc1ccc(C(=O)/C=C/c2cn(C)c3ccccc23)c2c1C=CC(C)(C)O2 169311452 QYTXFSNKBQQXQL-PKNBQFBNSA-N 373.452 5.267 30 1 FKEF Cc1cc(Cl)cc(Cl)c1OCC(=O)c1coc2cc(C#N)ccc12 587277983 JVUZSUUOQGDZJQ-UHFFFAOYSA-N 360.196 5.181 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@]3(C[C@]12C)[C@H](C)CC[C@@H]1C(C)(C)[C@H](O)CC[C@]13C 2356334957 QSKNABACZZQUJZ-ALABMXHCSA-N 372.549 5.188 30 1 FKEF CC[C@@H](C)CCCCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356438056 QDDWPSIPKTZOEU-IAGOWNOFSA-N 351.531 5.175 30 1 FKEF CCCCCCCC=CCCCCC1=C(C)N(C(=O)C(F)(F)F)CC1 2356550254 RWTHTFNLYIDWAH-UHFFFAOYSA-N 359.476 6.532 30 1 FKEF CCCCCCCC#Cc1ccccc1/C=N/[S@@](=O)c1ccc(C)cc1 8019661 SCVDAEQMKWHSQK-VTWHXADISA-N 365.542 5.849 30 3 FKEF COc1ccc(/C=C/C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 28474703 DSGJBZLXOYPIHM-CXUHLZMHSA-N 372.424 5.235 30 1 FKEF CCCCCCCC(=O)c1ccc(O)c(-c2nc3ccc(C)cc3[nH]2)c1 43226785 ZZRVDAGTWZCPLG-UHFFFAOYSA-N 350.462 5.787 30 1 FKEF Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc1 84671442 ZRUGWDPUCWOPAS-DPBNUBQISA-N 350.487 5.255 30 1 FKEF CCCCCCCCCCCCC(=O)CCCCCCCCC(=O)O 102184480 NRNVQOWXYJTJKK-UHFFFAOYSA-N 354.575 7.072 30 1 FKEF C=CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587108242 XXYICEVIBMAAGC-UHFFFAOYSA-N 363.416 5.678 30 1 FKEF N#CCCCC[C@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963103814 ODBFYAKGOQWVID-GGAORHGYSA-N 366.455 5.313 30 1 FKEF C[C@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 2356517180 AIWMJAGAGKKIFO-IHMUCKAYSA-N 368.517 5.187 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc(O)ccc1OC(C)=O 2356790165 FGBQMZDQNSRMSZ-LSUGYDDCSA-N 356.506 5.659 30 1 FKEF CCCCCCCCCCCCN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 36351357 NIGRKYJRTIZDFW-CWBXHPNXSA-N 351.619 6.026 30 1 FKEF C=C[C@@H](/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 44018451 QIWFBWCTOKXYBB-GUOLPTJISA-N 357.202 6.995 30 1 FKEF CCCCCCCCCC(=O)c1ccc(CCCCCCCCC)nc1 85936628 XPASABMPOWTXIB-UHFFFAOYSA-N 359.598 7.698 30 1 FKEF endogenous,in-man CC(C)N(CC[C@@H](O)c1ccc2ccccc2c1)Cc1ccc(C#N)cc1 145177686 ONANKLUCDKACLS-XMMPIXPASA-N 358.485 5.046 30 1 FKEF Cc1cccc(C)c1[C@@H]1CC(=O)C(Sc2ccccc2Cl)=C(O)C1 299830619 XHKMRBZSSOBFGK-AWEZNQCLSA-N 358.890 5.965 30 1 FKEF Cc1cc(Cl)cc2c(C#N)c(-c3ccc(F)c(C(F)(F)F)c3)[nH]c12 587624453 MNCKXUTXPNJAJT-UHFFFAOYSA-N 352.718 5.826 30 1 FKEF Cc1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c1 587625174 AWWBLOPOVMSYAF-UHFFFAOYSA-N 368.280 6.053 30 1 FKEF CSc1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626720 ZKBJPCHLUQKSSU-UHFFFAOYSA-N 367.236 5.946 30 1 FKEF C=C1OC(=O)C(=CCCCCCCCCCCCCCCCC)[C@@H]1O 2356340469 PTTRTHRCPBSLRI-OAQYLSRUSA-N 350.543 6.216 30 1 FKEF C=C(C)[C@H]1CC[C@@]2(C)C(=C(C)C=C(CNC3(C)CCCC3)C23CCCC3)C1 2356536833 RJOBPFMLZQOVBA-OFVILXPXSA-N 367.621 7.108 30 1 FKEF C=C[C@@H]1CN2CC[C@H]1C[C@H]2CN(CC1CCCCC1)CC1CCCCC1 2356867614 WTXCZPVJLWKXCE-SGNDLWITSA-N 358.614 5.345 30 1 FKEF O=C1C=C(c2ccc(OC(F)(F)F)cc2)C[C@@H](c2ccc(F)cc2)C1 36382276 GKCMNRRCSHXOQF-CQSZACIVSA-N 350.311 5.254 30 3 FKEF CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C 590937 CJJSYYLZHUPKBQ-SDXDJHTJSA-N 352.594 5.520 30 1 FKEF C=CCc1cc(C(C)=O)c(O)cc1OCCCCCCCCCCC#N 13650550 ZZAGUOGZZYBQPX-UHFFFAOYSA-N 357.494 5.737 30 1 FKEF C=C[C@H](C)[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29415350 ROQNRNMUXQFMDI-LFVRLGFBSA-N 361.485 6.225 30 1 FKEF C=CCn1c(O)c(N=NC(S)=Nc2ccccc2F)c2ccccc21 253978771 DCQPEFSXZNSWHI-UHFFFAOYSA-N 354.410 5.373 30 1 FKEF CC(=O)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C 255225328 KZLRFHAMRYWCOP-HMNGWXEXSA-N 369.593 5.475 30 1 FKEF Fc1cc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2cc1C(F)(F)F 586900940 GTMATUAOURJMGR-UHFFFAOYSA-N 370.305 5.381 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(N4CCCCC4)cc3)c(C#N)c2c1 587643386 DVWIEDCJOWZITD-QGZVFWFLSA-N 357.501 6.210 30 1 FKEF C=CCOC(=O)c1ccc(/C=C/c2ccc(/C=C/c3ccncc3)cc2)cc1 1857545410 VJXGWRMWRTUWFU-XBLVEGMJSA-N 367.448 5.765 30 1 FKEF CCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 104070955 PFJJHTDFOPEZCA-VZFXBBDVSA-N 367.489 5.256 30 1 FKEF N#CCC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498206 DDLOYIMSCMEXEX-JOCHJYFZSA-N 365.860 5.383 30 1 FKEF C[C@@H]1CC[C@@H](C(C)(C)S)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587531283 HIUHGVJHEXWFEL-LNHNDHHWSA-N 358.547 5.414 30 1 FKEF Nc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626114 PUTOUFPEIXJEFR-UHFFFAOYSA-N 362.248 5.594 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccc2oncc2c1 963192003 PMVJXSARAAYRQM-VWNXMTODSA-N 365.436 5.040 30 1 FKEF CCCCCCCCn1cc(CN2CCCCC2)c2ccc(C#N)cc21 1857645458 WSKLRLPGIDNYFI-UHFFFAOYSA-N 351.538 5.859 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC=C(C(=O)O)CCC=C(C)CCC=C(C)CC1 2356607618 XDZVNBMUIGWTCQ-QHCPKHFHSA-N 370.577 7.553 30 1 FKEF C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1c1c(O)cc(C=Cc2ccccc2O)cc1O 2356646144 QZIGMIOMEWTNCH-UXPWSPDFSA-N 364.485 6.070 30 1 FKEF CCCCCCCCCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356678118 TZDVTFYLQHHLND-GOSISDBHSA-N 365.558 5.709 30 1 FKEF CCCCCC#CCc1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13557645 VXCPTRRVQGVIOH-NHCUHLMSSA-N 366.545 6.432 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(O)c(/C=C/c2ccccc2)c1)CCC=C(C)C 29062113 SYQTZMKEWKAXII-QTLRCOOBSA-N 358.525 7.515 30 1 FKEF C=CCOc1ccc2c(c1)Oc1ccccc1C(CC)=C2c1ccc(O)cc1 33889729 UOXXUALEFWGXFB-UHFFFAOYSA-N 370.448 6.432 30 1 FKEF CCCCCCC[C@H](O)CCCCCCC(=O)NCCc1ccccc1 44350812 JJZSGRYZZBAVAB-QFIPXVFZSA-N 361.570 5.407 30 1 FKEF biogenic C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/COC(C)=O 85992581 HSANNLXBHKRHSH-SYBQXNLGSA-N 362.510 5.140 30 1 FKEF Cc1cc(Cl)cc2c(C(=O)/C=C\c3ccccc3)c(C(F)(F)F)[nH]c12 587623997 CXYLKIYBTZDLBG-FPLPWBNLSA-N 363.766 6.045 30 1 FKEF C=CCc1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587782053 GGBUSCHBPDEBJI-UHFFFAOYSA-N 356.425 5.243 30 1 FKEF CCCCCCCCn1c(C)c(F)c(=O)n(CCCCCCCC)c1=O 1857570070 JVFBLPAHGVQLEF-UHFFFAOYSA-N 368.537 5.179 30 1 FKEF CCCCCCCS[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100997991 KCOKBDWYBNXFCM-RAPRNAFNSA-N 354.556 5.437 30 1 FKEF CC(=O)C1=C(O)S[C@@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O 101280281 JFLJKSVENTWYMC-CSBUDRDFSA-N 362.535 5.839 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](C)CC 166332942 VQGFLDJIMXABEX-MLUDITRGSA-N 352.603 7.613 30 1 FKEF C=C1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H](C1)C2)-c1ccccc1C5=O 586990654 NCEGQKVQRODFDN-KGLIPLIRSA-N 353.421 5.148 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2ncn(C(C)(C)C)c2c(F)c1F 587917794 QSLOINUIBDGHHK-UHFFFAOYSA-N 374.818 5.131 30 1 FKEF CC#CCCCCCCCc1nc2cc(F)cc(Br)c2[nH]1 587956423 BBVXJAVKORRSGB-UHFFFAOYSA-N 351.263 5.371 30 1 FKEF CC#CCCCCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 587957350 XXNUEFHREWHXTL-UHFFFAOYSA-N 367.718 5.885 30 1 FKEF CCCCCCCCCCCCCCNCc1nc(-c2ccccc2)no1 1857590933 IIBFJTQNRQDMTK-UHFFFAOYSA-N 371.569 6.527 30 1 FKEF C=CC(C)=CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)OC 2356524557 JMENQAVVDLRQNF-UZCBEENBSA-N 374.521 5.002 30 1 FKEF O=C1/C(=C/c2ccc(Cl)cc2)CCC/C1=C\c1cccc([N+](=O)[O-])c1 40430258 UJPRDWIXEBATNU-MAEUFBSDSA-N 353.805 5.468 30 1 FKEF C#Cc1c(-c2ccc(Oc3ccccc3)cc2)oc2cc(O)c(C(=O)O)cc12 96272279 RUGWCZFSYXQKMP-UHFFFAOYSA-N 370.360 5.277 30 1 FKEF CCC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccccc1Cl 473248199 LNGLOSYXMGMVEO-IBGZPJMESA-N 368.889 5.616 30 1 FKEF CCCCSC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 1857571975 JWJVSQSPSJHDRJ-QWEHLCMWSA-N 374.590 5.948 30 1 FKEF COc1ccc(C(=NNc2ccc3ccccc3c2)c2ccccc2)cc1 2356317995 IAYAERLWINTBLN-UHFFFAOYSA-N 352.437 5.713 30 1 FKEF CC(C)CCCCC=CCCCCCCCCC[C@@H](O)C#CC#CCO 2356400345 XHLZCKOMBOQHNF-XMMPIXPASA-N 360.582 5.630 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC1=CC(=O)C(OCC)=CC1=O 2356794100 KXYBFLVVTOCOSE-HKDUHGGJSA-N 356.506 5.174 30 1 FKEF CC1=CC=C[C@H](C#N)[C@@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 36248255 SLJJMUAVIJMROI-UEVCKROQSA-N 352.481 5.178 30 1 FKEF CCCCCCCCCCCCCCO[C@]1(C)NC(=O)C(C(C)=O)=C1C 43910485 GAGAIUJUXASBMX-QFIPXVFZSA-N 365.558 5.456 30 1 FKEF C=CC/C=C\C/C=C\CCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O 44431261 ISZNSNPZAIWOAG-HZJYTTRNSA-N 372.505 5.378 30 1 FKEF N#Cc1cccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n12 72177730 FGUOGNNOSTZAQY-UHFFFAOYSA-N 350.853 5.271 30 1 FKEF Cc1cc(N/C(=N/c2nccs2)Nc2ccccc2C)c2ccccc2n1 84462551 NRNBFRAQIOHWKK-UHFFFAOYSA-N 373.485 5.520 30 1 FKEF O=C1C[C@@H](c2c(F)cccc2F)CC(O)=C1Sc1ccccc1Cl 299826784 HZPCKAOVDZAVLW-JTQLQIEISA-N 366.816 5.627 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1nc2ccccc2s1 299832070 KOQQYCFZRHBKFR-CYBMUJFWSA-N 353.468 5.305 30 1 FKEF CCCCCCCCc1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587206450 MTTPLYICBTVQGJ-UHFFFAOYSA-N 357.497 6.658 30 1 FKEF CCCCCCC[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587809530 AKYOXPRVIQDICP-KUHUBIRLSA-N 370.350 6.088 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2ccccc2nc1Br 587912982 DXIKYZJXLCYCTJ-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF N#Cc1c(-c2ccccc2)[nH]c2ncc(-c3ccccc3)c-2c1-c1ccccc1 1772619444 KYBILUOQSOYRDC-UHFFFAOYSA-N 371.443 6.387 30 1 FKEF Cc1nc(C)c(/C=C2\C[C@@H](C)C/C(=C\c3ccccc3Cl)C2=O)nc1C 1772657759 GFYMNVAVWCJTDO-DQDIMGQMSA-N 366.892 5.521 30 1 FKEF O=C(C=Cc1csc(-c2ccccc2)n1)c1ccc(Br)cc1 2356738656 YMBSALRBERQUQM-UHFFFAOYSA-N 370.271 5.469 30 1 FKEF CCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 49639118 QTMUZEIOUGWZFX-UHFFFAOYSA-N 370.924 6.822 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](CCC)C1CCCCC1 70454149 IBXHOJGRWDXKSM-RUZDIDTESA-N 364.702 9.854 30 1 FKEF biogenic,in-vitro CON=C1[C@@H]2CC(C)C[C@@H]1[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 101985515 SMZOFVGUOFNQSQ-AWSWRJTOSA-N 370.443 5.015 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(C=O)cc2)cc1 587906978 AELJOIRMJWXXGM-UHFFFAOYSA-N 362.812 5.353 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(F)cc1OCc1ccccc1 587916562 MTXRQGDTHIOTSG-UHFFFAOYSA-N 366.819 5.467 30 1 FKEF Cc1ccc(-c2csc(-c3ccc(OCC(C)C)c(C#N)c3)n2)cc1C 587920823 OOWYOLYJQZCDTO-UHFFFAOYSA-N 362.498 6.000 30 1 FKEF CCCSC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 1857540515 KECSLKZJFNOOFU-OFQQUKTFSA-N 360.563 5.558 30 1 FKEF CCCCCCCCC[C@H](C)[C@H]1OCc2c(/C=C/C(C)=O)cnc(C)c2O1 1857773824 DPIOIILZMBLZMJ-PZQODKGESA-N 373.537 6.004 30 1 FKEF C=CC[C@H](CCC=CC=CCCC=C[C@@H]1CSC([C@H]2C[C@H]2C)=N1)OC 2356451099 SSJXRCYFOOLEKV-NCYKPQTJSA-N 359.579 5.976 30 1 FKEF CCCCCC=CCC=CCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 2356707423 WSPSBGYYAVPUDE-UHFFFAOYSA-N 374.521 6.206 30 1 FKEF CC(C)c1ccc(/C=C2\CN(C)C/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 17378629 RTHRALZSQGTXLN-KOJZRSEWSA-N 373.540 5.915 30 1 FKEF C=C1COc2cc([C@H](C)[C@@H](C)CCCCC)cc(O)c2[C@@H]2C=C(C)CC[C@@H]12 27865544 XSVGNKMGHGRMPZ-OZROYSPXSA-N 368.561 7.101 30 1 FKEF COc1nc2c(c(-c3cccs3)c1C#N)CCSc1ccccc1-2 28648159 KMVFHXLKPFSOJE-UHFFFAOYSA-N 350.468 5.006 30 1 FKEF CCCCCCCCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206000 IRIUDMGFDGRCCH-UHFFFAOYSA-N 371.524 7.129 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2cc(Br)ccc2c1 587907933 SJRVTXKTWNIACK-UHFFFAOYSA-N 371.661 5.664 30 1 FKEF CC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccc(C#N)cc12 13859720 MKKHBCAWMVQAAX-UHFFFAOYSA-N 352.393 5.070 30 1 FKEF C=C[C@]1(C)CCC2=C(CC[C@@H]3[C@](C)(OC(=O)CC(=O)O)CCC[C@@]23C)C1 40952368 NKRZOAWZBYVTMB-KVJIRVJXSA-N 360.494 5.036 30 1 FKEF biogenic CCOC(=O)C1=CC[C@@H](c2ccccc2)[C@@]12CC/C(=C\c1ccccc1)C2=O 95783684 KXVNAAYAKGJVOX-AFBBGLSWSA-N 372.464 5.096 30 1 FKEF O/N=C1/CCc2cc(Nc3c(-c4ccccc4)sc4cnccc34)ccc21 102824075 UBWMJAQWDSWJJT-PLRJNAJWSA-N 371.465 5.831 30 1 FKEF O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccccc1-c1ccccc1 116760414 MFOGQDREEHBOAT-UNZYHPAISA-N 368.432 5.314 30 1 FKEF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC#N)c1ccc(C(F)(F)F)cc1 963242398 PQUMLVSQYWXNFX-IIBYNOLFSA-N 372.434 5.519 30 1 FKEF CC(C)(C)c1cc(C(=O)/C=C/C=C/c2ccccc2)cc(C(C)(C)C)c1O 1657990 FUQYXHNKZYPNRC-WFYKWJGLSA-N 362.513 6.440 30 1 FKEF C=CCC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352464 JKCWMUBQMZGJQI-IRLDBZIGSA-N 352.405 5.005 30 1 FKEF CCC=CCCCCCCCCCCCCC[C@@]1(O)CC(=O)C=C[C@H]1O 2356621882 TYJQNNWWKJMQRK-DHIUTWEWSA-N 364.570 5.645 30 1 FKEF CCCCCCCCN1c2ccccc2C(=O)N(O)[C@@H]1c1ccc(C)cc1 2382229505 XVNGJKMSRUYMJF-JOCHJYFZSA-N 366.505 5.706 30 1 FKEF CC[C@H](C)C(=O)C1=C(O)C2=C(O[C@](C)(CCC=C(C)C)C=C2)C(C)(C)C1=O 40973986 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CON=C1[C@H]2CC(C)C[C@H]1[C@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 253809593 SMZOFVGUOFNQSQ-KKPWCDKKSA-N 370.443 5.015 30 1 FKEF CCCCCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 587561013 JWXLIZZLLLDULQ-UHFFFAOYSA-N 365.477 5.396 30 1 FKEF CCCCCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814245 SHHRAQDRJIUAFE-FZKQIMNGSA-N 356.323 5.698 30 1 FKEF CCCCCCC/C=C\[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821580 VXKQRVZNDIVMFM-HDWJSYOQSA-N 368.334 6.080 30 1 FKEF Cc1ccc(/C=C2\CCC/C(=C\c3ccc(Cl)c(Cl)c3)C2=O)cc1 653728718 VOMVDFFSKGJPJD-JYFOCSDGSA-N 357.280 6.522 30 1 FKEF C=CCc1cc([C@@H]2NCCc3c2sc(C)c3C)cc(OC)c1OC(C)C 963032875 VPODYFHUJVOSAC-FQEVSTJZSA-N 371.546 5.124 30 1 FKEF CC(C)CNc1ccc2c(c1)sc1cc(C#N)c3nc4ccccc4n3c12 1772582978 UNDTZBSYGXTPGL-UHFFFAOYSA-N 370.481 5.795 30 1 FKEF Cc1ccc(C#Cc2sc3c(c2C(=O)c2ccc(C)cc2)CCCC3)cc1 1772590950 ZYVLWNTYVRPJKL-UHFFFAOYSA-N 370.517 5.875 30 1 FKEF CCCCCCCCCCCC(=O)c1c(C)c(CCC(=O)O)n(C)c1C 44281065 OSPNFBMKODBJJE-UHFFFAOYSA-N 363.542 5.763 30 1 FKEF C/C(=C\C(=O)c1cc(O)cc2c1C[C@@H](c1ccccc1)O2)c1ccccc1 95914177 DWLVEVYKWBKSNV-DTPJYZGHSA-N 356.421 5.355 30 1 FKEF biogenic,in-vitro C[C@@H](C=O)CCCCCC[C@H](CCCC=CC(=O)O)Cc1ccccc1 2356684301 QFHJXWNOPQMWPO-NHCUHLMSSA-N 358.522 5.832 30 1 FKEF COC1=C(C)C(=O)[C@@]2(CC(CCC=C(C)C)=CC[C@H]2C(C)C)C(=O)C1(C)C 2356773402 YLLJLJGJAVHFKG-CYFREDJKSA-N 372.549 5.810 30 1 FKEF C=C(C[C@H](O)CC(C)C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC[C@@H]3[C@@](C)(O)CC[C@@H]12 2356773448 ZTTPPDZFKVLMFX-CMFFXWLXSA-N 374.609 5.890 30 1 FKEF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccncc3)C[C@@H]12 5582732 KPRTUBHMORTVPE-XCFFBTTBSA-N 373.496 5.209 30 1 FKEF COc1ccc(-c2cncc(C#N)c2Nc2ccc(Cl)cc2)cc1OC 40429454 XBRSPOIYHCTXLY-UHFFFAOYSA-N 365.820 5.034 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)/C=C/[C@H]1O[C@H]1C(=O)O 44430555 LOPUOQXRVYARTM-LHEOCQAHSA-N 366.542 5.835 30 1 FKEF CCCCCCCCCC[N+](C)(C)CCCCCCCCCCCS 44430602 NACXIFUOYUDAJZ-UHFFFAOYSA-O 372.727 7.644 30 1 FKEF CC[C@@H](C)CC[C@@H](C[C@H]1O[C@]1(C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191560 CKTDKWGLYNYMOS-ZLOLNMDISA-N 366.674 8.265 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\c1ccccc1 473247980 KUIWKUDCNPFWEL-CGZUMTCDSA-N 363.545 6.083 30 1 FKEF COc1cccc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3)C2=O)c1OC 1857764948 VQYUAGPOLHLJFF-DISAMGIASA-N 368.860 5.577 30 1 FKEF CCCCCCCCCCCC/C=C/c1c(C)cc(C)c2[n+]1C[C@@H](C)C=C2 1911578897 YVDOFDBWEXOBCV-QWYDYZLZSA-N 368.629 7.578 30 1 FKEF CC(C)=N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C=N[C@@H](C)[C@@H]2CC[C@@H]34)C1 2356542740 DRZFZXHDHUZWHI-JTIYRIOISA-N 352.566 5.868 30 1 FKEF COc1ccc(/C=N/Nc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 29134483 MSKLUMWFGNPTQC-YDZHTSKRSA-N 365.864 5.222 30 1 FKEF C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1c1c(O)cc(-c2cc3ccccc3o2)cc1O 86022801 UPLNMKNMLLBKKI-AYOQOUSVSA-N 362.469 6.607 30 1 FKEF biogenic CCCCCCCCCCCC[C@H](C)CCCCCCCCCCC 136773699 GOVCFPPSXWBHGY-RUZDIDTESA-N 352.691 9.854 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(Cl)c1 587900843 RFZFLMNLRMRHTF-UHFFFAOYSA-N 356.046 5.164 30 1 FKEF O=C(/C=C(\Nc1cccc(Cl)c1F)c1ccccc1)c1ccccc1 199260786 ZRKJTHURXOQUGT-RGEXLXHISA-N 351.808 5.815 30 3 FKEF CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c3c([nH]c12)C(=O)C=C(C)C3=O 14611226 SVBNPBFKMYVLCL-RIYZIHGNSA-N 363.457 5.434 30 1 FKEF CCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)C)cc1 104006388 IEFCNVCPKSECAE-UUZBPDLYSA-N 353.462 5.181 30 1 FKEF C=CC[N@@+]1(C)CCCN(C(=O)CCCCCCCCCCCCC)CC1 299844802 BUWNOZUZSQKNFO-VWLOTQADSA-N 365.626 5.552 30 1 FKEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587189815 FNKRCEQFCNMBLF-MRXNPFEDSA-N 369.424 5.154 30 1 FKEF C#C[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587366780 MSBSIJWUJAZGRI-OAHLLOKOSA-N 353.421 5.395 30 1 FKEF Cc1nc(C)c(/C=C2\CCC/C(=C\c3ccccc3Cl)C2=O)nc1C 1772636874 HCQSPQDFEQXMJO-JYFOCSDGSA-N 352.865 5.275 30 1 FKEF CCCCCCCCCCCCCCCC[C@@]1(C)OC(CCO)=CC1=O 2356416444 UKBAAKDRBGMWAJ-HSZRJFAPSA-N 366.586 6.482 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H]([C@H](C)CCC=C(C)CO)CC[C@@]3(C)C[C@@H]12 2356519189 RMOFCIYZKYVKBR-LAMOWGQJSA-N 356.594 6.696 30 1 FKEF CCCCCCCCCCC1CCC2(CC1)CCN(CCCN(C)C)C2 43328129 BIBWGJIUUSZPEB-UHFFFAOYSA-N 364.662 6.351 30 1 FKEF CCCCCCCCCCn1cc(-c2nc3ccccc3cc2CC)nn1 95586468 GDCYRJTXARQCHE-UHFFFAOYSA-N 364.537 6.196 30 1 FKEF CCCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S 96913998 IJUOHSDHKJKRNX-RQZCQDPDSA-N 366.309 5.074 30 1 FKEF CCCCCCCCCCCCCCCC[C@@]1(C)SC(O)=C(C)C1=O 101028530 WQBQVXYZSOOIBG-JOCHJYFZSA-N 368.627 7.722 30 1 FKEF C#Cc1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 586881746 ZCPKUTQPIKPICP-UHFFFAOYSA-N 351.434 5.488 30 1 FKEF CCCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366860 NPJYSVCUSLRQAP-UHFFFAOYSA-N 373.496 7.170 30 1 FKEF CCCCCC/C=C\[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815017 JNGACIYSIKWOKT-SGGLYQJMSA-N 368.334 5.864 30 1 FKEF COc1cccc(Oc2ncc(C#Cc3cc(Cl)ccc3OC)s2)c1 587920301 COACVTWSXZSOQR-UHFFFAOYSA-N 371.845 5.006 30 1 FKEF [N-]=[N+]=Nc1cc(-c2noc(-c3ccc(O)cc3)n2)ccc1Oc1ccccc1 653768367 OWWOWPLGKICRJO-UHFFFAOYSA-N 371.356 5.843 30 1 FKEF N#C[C@]1(c2c3ccccc3cc3ccccc23)NCCc2cc(Cl)ccc21 963391298 SFDOMOBRAPZRLD-DEOSSOPVSA-N 368.867 5.559 30 1 FKEF C=CC=CCCCCCCCCCCCCCC=CCCCCCCCC 2356533355 ALOCDLUUNKDQHB-UHFFFAOYSA-N 374.697 10.107 30 1 FKEF CC1=C[C@H](C)C[C@H](C)CCC[C@@H]2C=C(C)[C@H](C)C[C@@]23OC(=O)C(=C3O)C1=O 2356716678 UPNVMWXNMXHNBS-KAMXLUCRSA-N 372.505 5.058 30 1 FKEF CCCCCCC=CCC=CCCCCC(=O)c1c(O)cc(O)cc1O 2356721793 OLPSQQCRGWVMPG-UHFFFAOYSA-N 360.494 6.019 30 1 FKEF CCCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)c(C)c1 2382227556 HJCKDRBQKVGCGG-RUZDIDTESA-N 373.625 6.415 30 1 FKEF C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(C(=O)n4ccnc4)CCC[C@@]23C)C1 27105573 YYUULFLSFQSOPB-MAMMYTCMSA-N 352.522 5.659 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(OC(C)=O)c(NC(C)=O)c1)CCC=C(C)C 29061710 YXVLESVPDLNMKM-XSEIIIHRSA-N 355.478 5.522 30 1 FKEF CCCCCCCC/C=C\CCCCC[C@@H](O)Cc1cc(O)ccc1O 107343624 SYEWMKBCQCNFPV-VFCOFNOGSA-N 362.554 6.259 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCCCC[C@@H](O)C(=O)O 166184020 IWAIJBHTQSBAOZ-MZMPXXGTSA-N 368.602 7.030 30 1 FKEF C#Cc1cccc(Nc2ncnc3sc(-c4ccccc4OC)cc23)c1 299860277 IYTYCLFNTIYRQB-UHFFFAOYSA-N 357.438 5.092 30 1 FKEF CCC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccc(F)cc1 473247795 IFSUHMGUQFWOPR-LJQANCHMSA-N 352.434 5.102 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(NC(=O)OC(C)(C)C)ccc1C 587901634 LKOMEXSEGPIPOP-UHFFFAOYSA-N 371.864 5.404 30 1 FKEF CCCCCCCCCNc1cc(-c2ccccc2)nn1-c1ccccc1 1772603828 VZNUUKKRUURWGP-UHFFFAOYSA-N 361.533 6.702 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC(C)=CCC[C@@H](C)OC(C)=O 2356729069 FCPHMAOZUSIKSS-HBAHCVPVSA-N 374.609 7.244 30 1 FKEF C=C1[C@H](C)CCC[C@@]1(C)CC[C@@]1(C)C=Cc2c(O)c(OC)cc(OC)c2O1 14589309 RHDKGXOTYDFQHO-AIYSXCBHSA-N 372.505 5.736 30 1 FKEF biogenic CC(C)(C)c1ccc(-c2c(C(=O)O)sc(C(F)(F)F)c2C#N)cc1 38147735 IEKNNRQNPQYALN-UHFFFAOYSA-N 353.365 5.301 30 1 FKEF C[C@H](C1N=CC=N1)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253636879 RMALHIYLKVZMFX-FQSAVCLWSA-N 366.549 5.252 30 1 FKEF FC(F)(F)Oc1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1Cl 587089595 FEVZIERJEFMGDB-MRVPVSSYSA-N 371.039 5.038 30 1 FKEF CC(=Nc1ccc(Nc2ccccc2)cc1)c1cc2ccccc2oc1=O 1081818922 OYGDLRZLXPIIAM-UHFFFAOYSA-N 354.409 5.677 30 1 FKEF biogenic CCCCCCC=CCCC=CCCCCCCCCCCCC(=O)O 2356390487 DRQCKFSJBIWOHQ-UHFFFAOYSA-N 364.614 8.225 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCc1occc1COC(C)=O 2356727688 RKLNNMGJYWCKNZ-XKCSPQBFSA-N 358.522 6.074 30 1 FKEF CCCCCCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1 84652868 OTUMOCKQXFVROJ-UHFFFAOYSA-N 353.574 6.737 30 1 FKEF C/C(=N/Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccc2ccccc2c1 95573667 SYQMMWNYQSQRKW-MYYYXRDXSA-N 368.465 5.671 30 1 FKEF CC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccc(Cl)cc1 473247541 FKXGJEHXPKPHJG-SFHVURJKSA-N 354.862 5.226 30 1 FKEF CCCCCCCC[C@@]1(c2ccccn2)NCCc2ccc(F)c(C)c21 962092353 MYBQEHMQMJTGDJ-QHCPKHFHSA-N 354.513 5.669 30 1 FKEF C[C@]1([C@@H](C#N)c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963090120 IEMHXUHVSCBTGA-LQWHRVPQSA-N 354.856 5.022 30 1 FKEF CC(C)CC[C@]1(C(C)C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963209471 XDILWNJMSTXWOC-RPBOFIJWSA-N 360.545 6.097 30 1 FKEF C=C1CC[C@@H]2[C@@H]1C[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)CO)[C@@H]1C[C@H]1O[C@]12C 2356666236 JPWWOAMPHFTWJX-MJJCRLSLSA-N 372.593 5.908 30 1 FKEF CCCCCCCCn1c2ccccc2c2cc(CO)c(OCCO)cc21 72106848 MXZYMNLSQPAQTQ-UHFFFAOYSA-N 369.505 5.018 30 1 FKEF N#Cc1ccc(-c2csc(N/N=C\c3cccc4ccccc34)n2)cc1 95579449 QPWGQUMCJZUVCL-QRVIBDJDSA-N 354.438 5.281 30 1 FKEF COC(=O)CCCC#CC#CCCCCCC/C=C/C=C/Br 169622021 FNTJNYUUZXUSJG-IGPVVLDESA-N 365.311 5.142 30 1 FKEF C=CC[C@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365673 ILNAZWUGXSCQMH-INIZCTEOSA-N 369.464 6.653 30 1 FKEF CCCCCCCC[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587403169 KMBZDTHMVYZGRV-XMMPIXPASA-N 365.517 6.189 30 1 FKEF N#Cc1c(-c2ccccc2OC(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629622 FPAAMORDJAZOGY-UHFFFAOYSA-N 354.690 5.398 30 1 FKEF CCOC(=O)c1cc2ccc(C#Cc3cc(Cl)ccc3OC)cc2s1 587920180 DCXOCTLGOURVDQ-UHFFFAOYSA-N 370.857 5.140 30 1 FKEF [N-]=[N+]=Nc1ccccc1Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 1857558850 RPUZHSIXUZQUTK-UHFFFAOYSA-N 371.356 5.843 30 1 FKEF C=C(C)[C@@H]1CCC(C)=C[C@@H]1[C@H]1[C@@H](OC=CC)C[C@H](C=CC=CC)C[C@H]1O 2356332791 JIKOATDNDJNLDZ-ZIKOEFHUSA-N 356.550 5.973 30 1 FKEF C=C(C(=O)O)[C@@H]1CC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)CO1 2356469716 YIBKNWRFOJURQA-QHCPKHFHSA-N 372.549 6.542 30 1 FKEF CCCCCCCCCCCCCCN[C@@H]1CCc2c(cccc2OC)C1 42923952 ZTKHQONPMFQEMG-HSZRJFAPSA-N 373.625 6.843 30 1 FKEF CCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12 53296346 LNHZLMYNAZPRES-UHFFFAOYSA-N 356.554 6.138 30 1 FKEF biogenic C=C[C@@H](C)CC[C@H](C[C@H]1O[C@]1(C)CCC=C(C)C)C(=C)CCCC(C)C 102191534 DFYPQSCRXJHGDF-WJNCPCKPSA-N 360.626 7.881 30 1 FKEF CCCCCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814244 SHHRAQDRJIUAFE-ACJLOTCBSA-N 356.323 5.698 30 1 FKEF COc1ccc([C@H]2c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1C 963192009 PUHOPVSYXKOFON-NOZRDPDXSA-N 368.480 5.216 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1c(O)c(OC)cc2ncoc12 2356797262 NSXJJSLVOUBQRV-BHAGSQDASA-N 369.505 5.883 30 1 FKEF CCCCCCCCC(=O)c1c(O)cc(CCCCCCCC)oc1=O 36241784 NLATVPVYSKNDRM-UHFFFAOYSA-N 364.526 6.182 30 1 FKEF in-vivo CC(C)(C)CCCn1c(Cc2ccc(Cl)cc2)cc2cnc(C#N)nc21 45506522 PHDAPWSITYILFC-UHFFFAOYSA-N 366.896 5.373 30 1 FKEF Cc1ccc(CO/N=C2/CCCCCCCCCCC(=O)NCC2)cc1 103167649 ZKUDIZZCYVWUDC-FLFQWRMESA-N 358.526 5.289 30 1 FKEF C/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C\CCC(C)C 587875591 YEGGZPROGFIQEM-VIZOYTHASA-N 352.305 5.038 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)ccc1OCc1ccccc1 587916183 FBFGHTKCTDPZFY-UHFFFAOYSA-N 366.819 5.467 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2oc(-c3cccs3)nc2c1 587921041 STSDLNHRLZKLBF-UHFFFAOYSA-N 365.841 5.618 30 1 FKEF Cc1cc2c(cc1F)[C@@]1(C=C(C(C)(C)C)C=C(C(C)(C)C)C1=O)NCC2 962297572 JXFYAQVEBZEIDI-HSZRJFAPSA-N 355.497 5.003 30 1 FKEF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)C1=C(C[C@H](C)CC1=O)N2 43019116 SAUARPVLHFQDKM-LAJNKCICSA-N 370.855 5.619 30 1 FKEF CCCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CCCCC 86001430 UTABNNBRPUDDNU-XZOQPEGZSA-N 356.635 7.160 30 1 FKEF endogenous,in-man O=C1C(=O)c2ccccc2C(O)=C1CCC[C@H]1CC[C@H]2CCCC[C@@H]2C1 100486339 IFXSMZUKQQEJIZ-GVDBMIGSSA-N 352.474 5.498 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587067309 SXDRYBVOLLHEGM-UHFFFAOYSA-N 352.718 5.082 30 1 FKEF O=C(/C=C/c1cccc(C(F)(F)F)c1)c1coc2ccc(Cl)cc12 587277849 GANXBADQXICPKV-GQCTYLIASA-N 350.723 6.001 30 1 FKEF CCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820105 OWEVITRXWKKFNU-BBRMVZONSA-N 356.323 5.914 30 1 FKEF C#C[C@@H](O)C=CCCCCCCCCCCCCCCC=C[C@H](O)C#C 2356336262 KJWNXSBXDZJMLB-DNQXCXABSA-N 358.566 5.548 30 1 FKEF C=C1C[C@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@@H]1[C@@H]23 2356360681 LOMCSNMWUADCBX-LVYJRLNXSA-N 358.566 5.495 30 1 FKEF C[C@]12CC[C@H]3[C@@H](C[C@@H](c4ccccc4)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 13736405 LVJHBULIPHDPOH-RIWJMWRJSA-N 362.513 5.481 30 1 FKEF CCCCCCCCCCCCCCCCCC[C@]1(C(=O)OC)CO1 43242210 QNSMZUJWRYPLMF-JOCHJYFZSA-N 354.575 6.580 30 1 FKEF CCCCCCCCCc1nc2c3ccccc3ncc2n1CC(C)(C)O 72175410 FCJCVHHQMZPZDZ-UHFFFAOYSA-N 367.537 5.649 30 1 FKEF C=C(C(=O)O)[C@@H](CCC/C=C\CCCCCCCCCCC)C(=O)O 86046647 DMZSLKOHRRVYHI-FNDLEWIFSA-N 352.515 5.975 30 1 FKEF CO/N=C1\[C@@H]2CCC[C@]1(C)[C@@H](c1ccccc1F)N[C@@H]2c1ccccc1F 169324503 DPBGDUIBZNSYMQ-VTHLUYLLSA-N 370.443 5.159 30 1 FKEF C=CCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC 587366613 XDCNWGWJCWJFIH-UHFFFAOYSA-N 357.453 6.338 30 1 FKEF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C(=O)CCC(=O)O 28341778 JULKJNBBXNPUJK-KUBAVDMBSA-N 356.506 6.118 30 1 FKEF CSc1cccc2c(C#N)c(-c3ccccc3)c(NC3CCCCC3)n12 40763309 GZGPRDNEYRTDIW-UHFFFAOYSA-N 361.514 5.944 30 1 FKEF C=C1CCCC/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 43676716 FXKMDILIEQILCA-VDVRBEGSSA-N 368.649 8.648 30 1 FKEF Cc1ccc(/C(=N/O)N(C)c2ccccc2)c(Oc2ccc(Cl)cc2)n1 72103700 PSOZJLRJZUPECJ-NMWGTECJSA-N 367.836 5.108 30 1 FKEF CCCCCCCCCCc1cncc(C(=O)CCCCCCCCC)c1 95910513 GKISHTDTMHMYHC-UHFFFAOYSA-N 373.625 8.088 30 1 FKEF biogenic,in-vitro CCCCCCCCCNc1nc(C)nc(C(Cl)(Cl)Cl)n1 103187177 KALFETMTWBVITB-UHFFFAOYSA-N 353.725 5.169 30 1 FKEF N#Cc1ccc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)cc1 587921518 BBHDFONJAKWQBX-UHFFFAOYSA-N 354.434 6.141 30 1 FKEF CC(C)CC[C@@H](C)CCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356820562 FMLXCEGMUOREDJ-ROUUACIJSA-N 365.558 5.421 30 1 FKEF CCCCCCCCCCCCCC(=O)N(C)CC[N+](CC)(CC)CC 96906270 KSYIUPMBSRNZAX-UHFFFAOYSA-N 369.658 6.022 30 1 FKEF CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 100733179 DDQBFKNOKOZBQK-IEXUWNMDSA-N 357.582 6.057 30 1 FKEF CC1(C)CC(=O)C2=C(C1)Oc1c(O)cccc1[C@@H]2c1c[nH]c2ccccc12 299835172 LWZUOUSBLXMHGO-HXUWFJFHSA-N 359.425 5.041 30 1 FKEF C[C@@]1(c2cccc(N=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573823 DGBGRBIBGRFLAA-RXVVDRJESA-N 373.368 5.211 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1C(C)C 587901036 ULEJYDCFTUVMBE-UHFFFAOYSA-N 363.682 5.634 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)OC(C)(C)C)c(C)c1 587901964 BZDPYDVDVYZOGU-UHFFFAOYSA-N 371.864 5.404 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)C1=CC=C2c1cncc(F)c1 1772569842 MKLFOKUFONVFHZ-ZNEWLNCYSA-N 363.476 5.666 30 1 FKEF CCCCCCCCCCCCCC(=O)OC(C)(C)[C@@H]1CC=C(C)CC1 1857629652 ZAFPKFHBRYPMQE-JOCHJYFZSA-N 364.614 7.756 30 1 FKEF O=C(O)CCCCCC#CCCCCCCCCC=CBr 2356428311 GZSYVIBWPVIYAL-UHFFFAOYSA-N 357.332 6.054 30 1 FKEF C=C[C@](C)(CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)O)OC(C)=O 2356552255 KJYGPSIJPCJCAC-WQIFRTTPSA-N 362.510 5.138 30 1 FKEF CCCCCCCCCCCCCCCCNC1CCC(C(=O)O)CC1 49589288 MOPKDCBLWLEGFA-UHFFFAOYSA-N 367.618 6.701 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CCCC34CCCC4)s2)s1 85592363 WGWMGNNPZXBJKB-INIZCTEOSA-N 354.540 6.391 30 1 FKEF biogenic,in-vitro C=CCc1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063119 PKOAIFNXINJYNO-UHFFFAOYSA-N 358.872 6.203 30 1 FKEF CCC[C@H]1CC=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 587891076 MKUVHNNDGHYMKN-HNNXBMFYSA-N 364.316 5.182 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(F)cc(Cl)cc1Br 587914567 CPIXCXYSXZUNEC-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF C=C1C=C2[C@]3(CCC[C@@H]3CO)CC[C@H](C3CCCCC3)[C@]2(C)[C@H]2[C@@H]1C2(C)C 2356350545 FAESPSHBAAQWRG-JBDPYEMLSA-N 368.605 6.530 30 1 FKEF COc1ccc(-c2cccs2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1 34322820 PEJUBFZKPIPGRC-CSKARUKUSA-N 364.422 5.018 30 1 FKEF CCCCCCCCCOc1ccc2[nH]cc(CCNCCCC)c2c1 34801057 LLJYSJYQCDMRRG-UHFFFAOYSA-N 358.570 6.230 30 1 FKEF CCCCCCCCCCCCNC(=O)CC[C@@H](C)OC(=O)OCC 43523923 DEXSLTBOCHOQAX-GOSISDBHSA-N 357.535 5.365 30 1 FKEF C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1 64479827 ICSPLQZPXDQLPF-TYYASITHSA-N 354.306 6.095 30 1 FKEF CCCCCCCCCCCCCCCCC[C@H](O)CC(=O)CCC 86001435 QWHZKWJRMLWHDH-QHCPKHFHSA-N 354.619 7.368 30 1 FKEF endogenous,in-man COc1ccc(Sc2ccc(NC(=O)c3ccccc3C)cc2C#N)cc1 95771660 NULQSVOMADDTNN-UHFFFAOYSA-N 374.465 5.279 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC(=O)C(=O)O 102184484 NDYMYSCKMCQILW-UHFFFAOYSA-N 354.575 7.072 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587067083 MWHDDQDHRAIYDW-UHFFFAOYSA-N 366.795 5.536 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)C(F)(F)F)s1 587912456 IOCQOYLOAVGTBU-UHFFFAOYSA-N 366.738 5.464 30 1 FKEF Fc1ccc(Nc2ncccc2/N=C/c2nc3ccc(F)cc3s2)cc1 1772644643 XLDGLILQMAWIMA-FOKLQQMPSA-N 366.396 5.464 30 1 FKEF CCCCCCCCCCCCCC(=O)OC(C)(C)[C@H]1CC=C(C)CC1 1857629653 ZAFPKFHBRYPMQE-QFIPXVFZSA-N 364.614 7.756 30 1 FKEF CC(=O)O[C@@H]1c2oc(cc2C(C)C)[C@H](C)CCC=C(C)CC[C@@H]2O[C@@]21C 2356573417 MVULDMBCESYPJZ-XOHCFOMMSA-N 360.494 5.789 30 1 FKEF C#CC=CCCCCCCCCCCCCC[C@@H](C)CCCCC=CC#C 2356801865 RRXLPNMSOHCSKV-MHZLTWQESA-N 368.649 8.633 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=C(SC(F)F)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 13454687 BOHMWYWMXGQCMS-KXVLAIBUSA-N 368.489 5.371 30 1 FKEF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1cccs1)C2=O 13681701 NTDFYDJSLAOTRY-XZCHBVSMSA-N 364.510 5.572 30 1 FKEF in-vivo N#Cc1ccc([C@H]2C[C@H](n3ccnc3)c3ccc4ccccc4c3O2)cc1 71281923 DUNNACINMFVVPI-FCHUYYIVSA-N 351.409 5.021 30 1 FKEF CCCCCCCCCCCCCCCC(=O)C[C@H](O)c1ccccc1 85773074 XVDDTGFGTWMISV-DEOSSOPVSA-N 360.582 7.161 30 1 FKEF endogenous,in-man C[C@]12CC[C@H]3[C@@H](C[C@H](c4ccccc4)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 118932936 LVJHBULIPHDPOH-QDRUZAQNSA-N 362.513 5.481 30 1 FKEF CCCCCCCC[C@H](CCCCCCCCCCCC(=O)O)OC 136334397 MZXNTCGVKVBBBA-OAQYLSRUSA-N 356.591 7.128 30 1 FKEF N#Cc1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1C(F)(F)F 587098551 SMIWIMDLMPOXDQ-UHFFFAOYSA-N 373.231 5.278 30 1 FKEF Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(-c3ccccc3)cc1)O2 587387768 WOFMSBHRBKIPRN-XMMPIXPASA-N 368.436 5.019 30 1 FKEF N#CC[C@]1(c2cc3ccccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587535342 KGFPZNYWNSIZMD-HSZRJFAPSA-N 373.477 5.554 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(Oc2ccc(F)cc2)c1 587916717 PCFDVNNMAVASMS-UHFFFAOYSA-N 352.792 5.680 30 1 FKEF C=C1[C@H](C)CCC[C@@]1(C)CC[C@]1(C)C=Cc2c(O)c(OC)cc(OC)c2O1 14589310 RHDKGXOTYDFQHO-QABPDZFRSA-N 372.505 5.736 30 1 FKEF biogenic CCCCCCCCCC/C=C/CCCCCCCCCC(=O)OC 138939849 QIZZORAOGOPHQF-OUKQBFOZSA-N 352.603 7.757 30 1 FKEF CCCCCCCCCCCCCCCCC[C@H](O)COC(=O)CCC 238766565 BVADXSKPLYAODZ-QFIPXVFZSA-N 370.618 6.952 30 1 FKEF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C#N)ccc4[nH]3)cc2)CC1 586881944 XQOXHYPGRBLVFM-UAPYVXQJSA-N 357.501 6.566 30 1 FKEF CCCCCCC[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599960 JMCBEUKMSVTYOW-NZQKXSOJSA-N 368.473 5.863 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)/C=C\c3ccccc3)c2c1 587642461 SFRVKXBIFWUBQX-UQTJOTSZSA-N 371.402 6.596 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)cc1OC(C)C 587913740 FOXYYWCITHBBKE-UHFFFAOYSA-N 368.782 5.554 30 1 FKEF C=C(c1ccc2c(c1)c1ccccc1n2C)c1cc(C#N)nc2ccccc12 1857590647 OAGXJWJEJPZUKH-UHFFFAOYSA-N 359.432 5.813 30 1 FKEF CCCCCCC/C(=N\O)c1cc(-c2ccc(OC)c(F)c2)ccc1O 1857656657 UNNISOYPQHRWEK-FCDQGJHFSA-N 359.441 5.746 30 1 FKEF CCCCCCCCC=CCCCCCCCCCCC[C@H](O)C(=O)O 2356430293 IWAIJBHTQSBAOZ-QFIPXVFZSA-N 368.602 7.030 30 1 FKEF CCCCCCCCCCC(C)(C)NC(=O)Nc1c(CC)cccc1CC 14234070 HNVWJFJYQYXAQG-UHFFFAOYSA-N 374.613 7.242 30 1 FKEF C=C(C)CC[C@]1(C)C2=CCC[C@](C)(C[C@H](O)c3ccoc3)[C@H]2CC[C@H]1C 28826877 NAQMVJXNLLINDP-WFUQYPKXSA-N 356.550 6.838 30 1 FKEF CCCCCCCCCCCCCC(=O)NC[C@H](O)c1ccc(O)cc1 95574098 NXQPLWMLYJICBR-NRFANRHFSA-N 363.542 5.243 30 1 FKEF CCC1=C(O)c2c(oc(-c3ccc(F)c(C)c3)cc2=O)C(CC)(CC)C1=O 102243508 FGOPQHVTSOTJFX-UHFFFAOYSA-N 370.420 5.074 30 1 FKEF c1ccc(CO/N=C2/C(c3c[nH]c4ccccc34)=Nc3ccccc32)cc1 299866976 XDJSHHRUOXAEAE-WNAAXNPUSA-N 351.409 5.223 30 1 FKEF N#Cc1c(-c2cccc(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626298 RNJWMCFITQCBGQ-UHFFFAOYSA-N 372.243 5.883 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cncc2cc(Br)ccc12 587911636 YGHBIVOJMXATOO-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF COc1ccc(-c2cccc(-c3nc4cccc(C#N)c4[nH]3)c2C)c(OC)c1 587930665 UENIYCCZOBVJKA-UHFFFAOYSA-N 369.424 5.094 30 1 FKEF CCC(=O)C=C[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)CCC[C@@]23C)O1 2356415211 DJTVQIDPSCHPOP-OWSOIFCUSA-N 362.554 5.063 30 1 FKEF CCCCCCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 64448322 CANMFHDDABPZDR-QGZVFWFLSA-N 357.535 5.364 30 1 FKEF CCCCCCCCCCCCCCCCCCCc1cc[nH]c1C=O 85568872 YFRRMMHQXZVEFB-UHFFFAOYSA-N 361.614 8.021 30 1 FKEF biogenic C=CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587630266 XIJJNVCLNBZIEC-UHFFFAOYSA-N 353.746 6.375 30 1 FKEF CCC=C(C)C(=O)C(C)=C[C@@H](C)C=C(C)C=C(C)C(=O)[C@@H](C)C(=O)CC 2356446713 PGVPJDMZSGQKNW-YWZLYKJASA-N 358.522 5.571 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H]([C@H](C)CCC=C(C)CO)CC[C@]3(C)C[C@@H]12 2356519190 RMOFCIYZKYVKBR-SVXXDTORSA-N 356.594 6.696 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@H]([C@@H](C)CCC=C(C)CO)[C@H]3[C@H]1C2 2356634578 JPWFNNHZPMNWHM-BEOYZGJASA-N 354.578 6.761 30 1 FKEF N#Cc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1 1653540 BDWONQPZEDXSSS-UHFFFAOYSA-N 371.827 5.401 30 1 FKEF N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1 6582480 YSWNRPWFHVJTTL-UHFFFAOYSA-N 370.455 6.812 30 1 FKEF Cc1ccc(-c2oc3cnccc3c2Nc2ccc3c(c2)CC/C3=N\O)cc1 34891920 KBEBEVPIQHOIGX-LHLOQNFPSA-N 369.424 5.671 30 1 FKEF C=CCn1c2ccccc2c2c3c(ccc21)CN(Cc1ccc(C)cc1)CO3 49803893 WBRQYHQLZYKDNQ-UHFFFAOYSA-N 368.480 5.641 30 1 FKEF CCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(O)c1 85832183 JJYLJNSNDWOJGU-UHFFFAOYSA-N 362.554 6.691 30 1 FKEF biogenic CO/N=C1\[C@@H]2CCC[C@]1(C)[C@@H](c1ccccc1C)N[C@@H]2c1ccccc1C 169320369 HVSOWXGRFNTGEQ-LRSWOOJSSA-N 362.517 5.498 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586992769 ZKKNWENIDMBWRH-KBPBESRZSA-N 355.437 5.709 30 1 FKEF C=C(C)COc1ccccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587483202 PSUJSRZKBVJZBB-OAQYLSRUSA-N 352.430 5.006 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1C(=O)C(F)(F)F 587912758 NLDZRNUSQZAOMN-UHFFFAOYSA-N 373.157 5.147 30 1 FKEF CCCCn1c(C)nc2cc(C#Cc3cc(Cl)ccc3OC)c(F)cc21 587917448 JHXFJCHJXIDIFQ-UHFFFAOYSA-N 370.855 5.346 30 1 FKEF C=C1C[C@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@H]2[C@@H]1CC2(C)C 2356374105 NRYDVRYMFVCPIJ-VGHKYRARSA-N 358.566 5.495 30 1 FKEF COc1ccc(C(=O)/C=C/c2cc(-c3cccs3)ccc2OC)cc1 29252142 AYMMUKKANAJWLE-YRNVUSSQSA-N 350.439 5.328 30 1 FKEF CC(C)C1=C(c2ccccc2)c2ccc3c(c2C(=O)C1=O)CCCC3(C)C 36088376 DFBADKDMIJKZMI-UHFFFAOYSA-N 358.481 5.524 30 1 FKEF CCCCCCCCCCCCCCCCCCCCCCCCC=O 86040157 HAGKFWXVDSAFHB-UHFFFAOYSA-N 366.674 9.178 30 1 FKEF biogenic CC[C@H](C)CCCCCCCCCC/C(O)=C1\C(=O)[C@H](C)N(C)C1=O 100090397 QDDWPSIPKTZOEU-BQLSZWSRSA-N 351.531 5.175 30 1 FKEF in-vitro CC(/C=C(\O)c1cccnc1)=N\c1ccc(Br)c(Cl)c1 104704280 UTBGMNIAEKINAN-OJRBBMDYSA-N 351.631 5.189 30 1 FKEF C=C(C)[C@@H]1CC=C([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587822243 JLXJYRKFMSEMIP-QUJCMNEKSA-N 364.302 5.466 30 1 FKEF COc1ccc(Cl)cc1C#CCc1sc(-c2ccccc2)nc1C 587920718 MGVUEIKWXAOBBG-UHFFFAOYSA-N 353.874 5.375 30 1 FKEF C=C[C@@H](O)[C@H](O)CN(C)CCCCCCCCCCCCCCCC 653767920 QYXDRFMJWSYVTG-FGZHOGPDSA-N 355.607 5.307 30 1 FKEF N#CCCCOc1cccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c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c1ncc(-c2ccccn2)o1 34803559 CZDQFSCARAYQAZ-UHFFFAOYSA-N 356.510 6.620 30 1 FKEF CCCCCCCCCCc1cc2cc([C@H](C)N(O)C(C)=O)ccc2o1 36241741 OGCATCOXTYVDFR-KRWDZBQOSA-N 359.510 6.415 30 1 FKEF CCCCCCCCCCCC(=O)N1N=C2C(C)=CC=C[C@]2(C)CN1C 43587146 RDDBXFALEAZIKG-JOCHJYFZSA-N 359.558 5.475 30 1 FKEF CCCCCCCCCCCCCc1cccc(O)c1NS(C)(=O)=O 43920059 DLONCEBDXIMKEJ-UHFFFAOYSA-N 369.571 5.617 30 1 FKEF CCCCCCCCCCCC(=O)Oc1cccc2c1C(=O)C=CC2=O 73164661 PGQZEUKITDGNDJ-UHFFFAOYSA-N 356.462 5.448 30 1 FKEF CCCCCCCC[C@H](O)[C@H](O)CCCCCCCCCC(=O)OC 85580020 QWSZTLFFEPDHPO-VQTJNVASSA-N 358.563 5.143 30 1 FKEF biogenic Cc1cccc(NC2=C(Nc3cccc(C)c3)C(=O)c3ccccc3C2=O)c1 103093764 KSPDOUXDMVECRO-UHFFFAOYSA-N 368.436 5.118 30 1 FKEF Oc1ccc(C(=Nc2cccc(C(F)(F)F)c2)c2ccc(O)cc2)cc1 169310725 LCEDFYWJXYKPTO-UHFFFAOYSA-N 357.331 5.286 30 1 FKEF C=CC1=C2COC(C)(C)O[C@H]3C[C@H]4C(C)(C)CCC[C@]4(C)[C@@H](CC1=O)[C@H]23 238737414 MJCWWMBIKBQJAG-FUTZIVEQSA-N 358.522 5.062 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccccc1C)N[C@H]2c1ccccc1C 253733897 HVSOWXGRFNTGEQ-WQNASHEBSA-N 362.517 5.498 30 1 FKEF CC1(C)CCC[C@@]2(C)[C@H]1CC=C(/C=C/C(=O)OCc1ccccc1)[C@@H]2C=O 473153130 ZAXLCOCRPMKBHR-CHDLNQHKSA-N 366.501 5.264 30 1 FKEF N#Cc1ccccc1SCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586964826 LROZMLQKSXXCAX-UHFFFAOYSA-N 372.453 5.101 30 1 FKEF CC#Cc1nc2cc(OCCCCCCCC)c(Br)cc2[nH]1 587953939 WOQVCFJZJPOBMA-UHFFFAOYSA-N 363.299 5.436 30 1 FKEF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 587959402 MUPQEFVYGYTVKO-UHFFFAOYSA-N 358.832 5.049 30 1 FKEF Fc1ccc(-c2[nH]c3ccccc3c2/C=N/Nc2ccccc2Cl)cc1 653692019 HQZMKHGDDHZFMB-ZMOGYAJESA-N 363.823 6.073 30 1 FKEF C=C(C(=O)O)[C@H]1CC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)CO1 2356469715 YIBKNWRFOJURQA-HSZRJFAPSA-N 372.549 6.542 30 1 FKEF C/C(=N\OC(C)C)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118921581 NHXGLJNJYKPMRP-UIVXXDDVSA-N 371.565 5.647 30 1 FKEF C=CCc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@H](C)CC)cc12 587639290 QMPXXBDDXYKKRV-CQSZACIVSA-N 368.318 6.839 30 1 FKEF C=CCOc1c(OC)cccc1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962661965 BHLASBTVMKGTEQ-DEOSSOPVSA-N 371.480 5.162 30 1 FKEF C=C[C@]1(C)CCC2=C(CC[C@@H]3[C@@](C)(OC(=O)CC(=O)OC)CCC[C@@]23C)C1 2356332912 LMMOFSFYOMSBHS-AWDZXFJFSA-N 374.521 5.124 30 1 FKEF C=C[C@@](C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356476854 QWGVDDMJQKJIOI-RUZDIDTESA-N 358.610 7.849 30 1 FKEF C=C1CCC=C(C)CC[C@H](C(=CCC=C(C)C)COC(C)=O)[C@@H]1C(=O)OC 2356677140 ISIHCFKJFHDLCQ-FGZHOGPDSA-N 374.521 5.314 30 1 FKEF C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(C2(CCCCCC)CC2)cc1O 13819854 ZAIIZDMGLNYKSN-RTWAWAEBSA-N 368.561 7.116 30 1 FKEF CCCCCCC[C@@]1(c2cccc(Cl)c2)C(=O)N=C(SC)N1C 84687172 VKWHTOFFOFYPPY-GOSISDBHSA-N 352.931 5.087 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c2cccnc12 587911678 MLYWFDSKJCQVAW-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF Clc1ccc(-c2csc(N/N=C/CSc3ccccc3)n2)cc1 1857534157 GLDYGNQAROJHHS-VXLYETTFSA-N 359.907 5.654 30 1 FKEF C=C1CC[C@@H]2[C@@H]1C[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)CO)[C@@H]1C[C@@H]1O[C@]12C 2356666232 JPWWOAMPHFTWJX-KFVIIKDFSA-N 372.593 5.908 30 1 FKEF CC(C)CCCCCCCCCCCC/C(O)=C1\C(=O)CN(C)C1=O 14588254 CPMHESKNPLZJEM-ZZEZOPTASA-N 351.531 5.177 30 1 FKEF C=C[C@H](/C=C/c1ccccc1Br)c1ccc(OC)cc1OC 28567346 MYFOLVJQWWBLBX-ATWMFIQVSA-N 359.263 5.449 30 1 FKEF Fc1cccc(Cl)c1-c1nc(-c2ccc(C#Cc3ccccc3)nc2)c[nH]1 64573423 MQRZMYCCZRPTSU-UHFFFAOYSA-N 373.818 5.331 30 1 FKEF N#C[C@@H](c1ccccc1)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 299864203 QUCBKSLQRTZLAO-QHCPKHFHSA-N 358.444 6.644 30 1 FKEF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C#N)cc(Cl)c2[nH]1 587012459 RNHHYIXRVAWEAW-UHFFFAOYSA-N 364.861 5.111 30 1 FKEF CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)c1coc2cc(C#N)ccc12 587278248 KWQIAHCRSVUZAZ-UHFFFAOYSA-N 374.223 5.652 30 1 FKEF C=CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810382 CLESJJLEWFGQDG-VBKZILBWSA-N 374.297 5.332 30 1 FKEF CCCC/N=C\N1c2ccccc2-n2cccc2[C@H]1c1ccc(CC)cc1 263590332 OWFDBANBHLBNNU-GFDSCVEPSA-N 357.501 5.778 30 3 FKEF CCCCCCCCCC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C 14278178 LQIHPIYBTDIIPA-UHFFFAOYSA-N 373.581 6.972 30 1 FKEF CCOC1=CC(=O)C(O)=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C)=CCC[C@H]32)C1=O 44431092 QRNQIPWSGCHABE-KNSMUJDWSA-N 372.505 5.060 30 1 FKEF C[P+](C)(C)CCCCCCCCCCN1C(=O)c2ccccc2C1=O 84618601 JBQLFXBFLYCFEP-UHFFFAOYSA-N 362.474 5.310 30 1 FKEF CCCCCCCCCCCCc1c(O)ccc(C(C)(C)C)c1C(C)(C)C 100051267 NCLOCTQVALZMOS-UHFFFAOYSA-N 374.653 8.451 30 1 FKEF C=C1CC[C@H]2/C(C)=C/C[C@H]3[C@@H](C(C)C)[C@H](O)C[C@]3(C)C/C=C(\C)CC[C@@H]12 238788375 XFTVUNNLOZHXIM-HUYLXDFDSA-N 356.594 6.695 30 1 FKEF Fc1cc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2cc1C(F)(F)F 587098157 RWOVKZOAVPZFCB-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF C=CCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587513486 AIHDNPPVUZOYNF-QHCPKHFHSA-N 357.453 5.413 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(CCC(=O)C(C)(C)C)c(F)c1 587916958 ZVDWQRRPUWUZEG-UHFFFAOYSA-N 372.867 5.435 30 1 FKEF COc1cc(/C=C2\CC/C(=C\c3ccc(Cl)cc3)C2=O)cc(OC)c1 1772652851 XCRKZQHRTJHFAE-CZCYGEDCSA-N 354.833 5.187 30 1 FKEF CCCCCCCCCCCC=CCCC=CC=CC(=O)N[C@@H](C)CC 2356599403 XFWSQAFQPXGKME-QHCPKHFHSA-N 361.614 7.271 30 1 FKEF CCCCCCCCCN1CCC(C(=O)OCC)(c2ccccc2)CC1 36286699 WRMQMVUODGVRJU-UHFFFAOYSA-N 359.554 5.334 30 1 FKEF C=C1COc2cc([C@@H](C)[C@@H](C)CCCCC)cc(O)c2[C@H]2C=C(C)CC[C@@H]12 40720180 XSVGNKMGHGRMPZ-UDDWMFPDSA-N 368.561 7.101 30 1 FKEF CCCCCCCCCCCCCCCCCCC(=O)C[n+]1ccccc1 43379880 YITHDBDEABYTHH-UHFFFAOYSA-N 374.633 7.195 30 1 FKEF CCCCCCCCCCCCOc1cc2nncn2c2ccccc12 44418194 RFDQNCFSEXLYBI-UHFFFAOYSA-N 353.510 6.182 30 1 FKEF COc1ccc2c(c1)CC/C(=C\c1ccccc1/C=C/c1ccccc1)C2=O 64391350 SQCQOVHHAAFDJI-ADSQIOCHSA-N 366.460 6.078 30 1 FKEF COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1C#N 73195702 IEXQJJHEJSWUMW-KRWDZBQOSA-N 361.470 5.235 30 1 FKEF CN1[C@@H]2CC[C@@H]1CC(=NO[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 101992739 RULAVIRWRLNNKW-NJYVYQBISA-N 354.881 5.059 30 1 FKEF Cc1cc2occ(/C=C3\Oc4cc5ccccc5cc4C3=O)c(=O)c2cc1C 103299774 ZSPMREXWXCVBDZ-JJFYIABZSA-N 368.388 5.179 30 1 FKEF CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC)[C@H](C)CCC 169622427 SXBQGMISTDXSCC-MLDHBFCZSA-N 366.630 8.002 30 1 FKEF Fc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1F 587095394 XCLXRLXHYFFEFG-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF CCCCOc1c(C)cc(C#Cc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 587903695 NCBJNGBFIKQWBC-UHFFFAOYSA-N 373.836 5.144 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(SC)c(Cl)c1Cl 587919901 ZXOGVLUXNGJHSA-UHFFFAOYSA-N 357.689 5.777 30 1 FKEF CCCCCCCCn1cc(CN2CCCCCC2)c2c(OC)cccc21 1772612686 BSQSTRZWMUXJMT-UHFFFAOYSA-N 370.581 6.386 30 1 FKEF CCCCCCC[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599959 JMCBEUKMSVTYOW-NFBKMPQASA-N 368.473 5.863 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2ccc(Br)cc2n1 587912885 ARHGETZAUYNJED-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@]3(C[C@]12C)[C@H](C)CC[C@@H]1C(C)(C)[C@@H](O)CC[C@@]13C 2356334960 QSKNABACZZQUJZ-KAJHUPTRSA-N 372.549 5.188 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(/C=C/c3ccc(C(F)(F)F)cc3)C2)cc1 36389375 UKEYJENJHPCOED-ZMUQKWFASA-N 372.386 5.800 30 3 FKEF COc1cc2ncc(C#N)c(Nc3cc(Cl)cc(Cl)c3)c2cc1OC 13862209 QWCFQFDGEMOHBY-UHFFFAOYSA-N 374.227 5.174 30 1 FKEF CCCCCCCNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(CC)[C@@H]2C1 38148158 GTJDKKGEHMPRJD-IRLDBZIGSA-N 358.526 5.174 30 1 FKEF CON=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(C)cc1)N(C)[C@@H]2c1ccc(C)cc1 71329311 BPAXDDSFZGIWFY-GXSHZHGVSA-N 362.517 5.450 30 1 FKEF CCCCCCCCCCCCCCCc1cc(OC)cc(OC)c1O 86040511 VNEAIGHVYDWTTQ-UHFFFAOYSA-N 364.570 7.043 30 1 FKEF biogenic Cc1c(-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165399 ACKVGJWYFJQSLR-UHFFFAOYSA-N 364.811 5.208 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)OC(C)(C)C)cc1C 587899464 BDSFTEMPRFLGLJ-UHFFFAOYSA-N 371.864 5.404 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C)c(NC(=O)OC(C)(C)C)c1 587903568 JWDBZLAMBYRPHH-UHFFFAOYSA-N 371.864 5.404 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1-c1ccc(C(C)=O)s1 587920365 FGDPZTZEXCVGSI-UHFFFAOYSA-N 366.869 5.680 30 1 FKEF COCCC/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1911581510 DZMBFIYGOGLGGG-BYRRJADHSA-N 370.533 5.050 30 1 FKEF C=C1C[C@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@@H]1[C@H]23 2356360682 LOMCSNMWUADCBX-NFENDOSCSA-N 358.566 5.495 30 1 FKEF CCCCCCCCCC(C)=CC(=O)NCCc1ccc(O)c(OC)c1 2356466517 IYORFNKPBLVYFD-UHFFFAOYSA-N 361.526 5.147 30 1 FKEF CC(=O)O[C@]1(C)CCCC(C)=CCC[C@]2(C)O[C@@H]2C(=O)C(=C(C)C)CC1 2356532612 QRIAHPSWAQTBHB-VSKRKVRLSA-N 362.510 5.062 30 1 FKEF CC(C)=CCCC(C)=CCCC(C)=CC[C@]12CC(=O)C=C[C@@H]1OC(=O)C2 2356755732 MXERJWHSUSUHEB-JTHBVZDNSA-N 356.506 5.627 30 1 FKEF CN(C/C=C/C#CC(C)(C)C)Cc1cccc2c(C(F)(F)F)csc12 27854379 VNRZNIHQPAFLFL-FNORWQNLSA-N 365.464 5.958 30 1 FKEF C=CCCCCCCCCCCCCCCC/C=C\C=C/CCCCCC 201268160 WADIPXFBWUBLCI-CHPJJDCXSA-N 374.697 10.107 30 1 FKEF CCCCCCCCNc1cnc(C(=O)Nc2ccccc2Cl)cn1 299826114 XLMFSOGGXTUMIE-UHFFFAOYSA-N 360.889 5.155 30 1 FKEF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1cccs1)C2=O 299870139 NTDFYDJSLAOTRY-VSFMYCGFSA-N 364.510 5.572 30 1 FKEF in-vivo Cc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1C#N 587189021 WKLVHASOQWRFHA-UHFFFAOYSA-N 369.268 5.448 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1NC(=O)OC(C)(C)C 587902715 NHNCXYDFOFEKAH-UHFFFAOYSA-N 357.837 5.095 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2nc(C)c(C)c(Cl)c2c1 587908909 LVWKTFLTTZBSIQ-UHFFFAOYSA-N 356.252 5.567 30 1 FKEF COc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2Cl)c1C#N 1857632640 JQZJXOVAVHFIIV-UHFFFAOYSA-N 361.253 5.664 30 1 FKEF COc1cccc(/C=C2\CCC/C(=C\c3ccc(F)cc3)C2=O)c1OC 1857747915 UYLMQGGSIQFJBK-DISAMGIASA-N 352.405 5.063 30 1 FKEF CC=C1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356436343 IXSGXUXGUNZCPE-XDYMYTNASA-N 358.522 5.086 30 1 FKEF C=CC(C)=CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]21C 2356524558 JMENQAVVDLRQNF-ZVLHEHLASA-N 374.521 5.002 30 1 FKEF Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)ncc2Cl)c(C)c1 5930562 SOJXDRPTMGPTRD-UHFFFAOYSA-N 363.852 5.414 30 1 FKEF aggregator C=C1[C@H](C)CCC[C@@]1(C)CC[C@@]1(C)C=Cc2c(O)c(O)cc(OC)c2O1 14589314 WMSMWNWYHIYDCT-YKAGIRRDSA-N 358.478 5.433 30 1 FKEF biogenic N#Cc1ccccc1-c1cnc(C(=O)CCCCCCc2ccccc2)o1 35259920 MSPDKDPNQMFJKX-UHFFFAOYSA-N 358.441 5.589 30 1 FKEF CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1OC(C)=O 85966508 GOOFLQFKCQQJMT-YSIASYRMSA-N 354.531 5.571 30 1 FKEF biogenic CCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)C(=O)OC 238739468 MSCCWJOOROLFCG-OAQYLSRUSA-N 370.574 6.353 30 1 FKEF CCCCCCC/C=C\CC/C=C\CCCCCCCCCCC(=O)O 238770406 WDHQGCVISBFUKD-OZKAYXIQSA-N 364.614 8.225 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C#N)c2c1 587639554 ZMBFIKLAAFSDGV-LBPRGKRZSA-N 353.263 5.983 30 1 FKEF COc1ccc(Cl)cc1C#Cc1nc(Br)cc2ccccc12 587910887 XJDZPOXEPXWXMQ-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF N#CCCCC[C@]1(c2cccc(C#N)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963097428 FFGSGUOJPCYHCO-UPVQGACJSA-N 373.475 5.045 30 1 FKEF CCCCCCCCOc1cc(OC)c(Br)cc1C(C)=O 1772629792 LQXRGOZPMXPWRU-UHFFFAOYSA-N 357.288 5.400 30 1 FKEF CN1C(=CC=Nc2ccccc2)N(c2ccccc2)c2ccc(Cl)cc21 1857594598 WAIBPQZXBUNNLQ-UHFFFAOYSA-N 359.860 6.172 30 1 FKEF C=C(C)[C@@H]1C[C@H](c2c(O)cc(O)c(C(=O)c3ccccc3)c2O)C(C)(C)C1 14635949 BJMZANGURMWXHW-HZPDHXFCSA-N 366.457 5.130 30 1 FKEF biogenic CCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC 36349507 TUMYYKFYRFQEGD-UHFFFAOYSA-N 351.487 5.038 30 1 FKEF N#Cc1c(-c2ccc(N3CCCCC3)cc2)[nH]c2ccc(F)c(Cl)c12 587631967 NYCKBQNWLZZLDG-UHFFFAOYSA-N 353.828 5.489 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(N2CCCCCC2)c1C#N 587899471 DGXPCYWINQSWNX-UHFFFAOYSA-N 364.876 5.000 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2ccccc2)c(F)c1 587916420 KUHPZFJZXUOSKL-UHFFFAOYSA-N 364.803 5.119 30 1 FKEF CC#CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356455111 HHGLFNRDPUBPSI-JFGYVGILSA-N 368.561 5.155 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)C(C)=CC(=O)O 2356464361 HHYMHAFBPNXEIC-VQQMMKBISA-N 362.510 5.138 30 1 FKEF C=CCCCCC[C@H](OC(C)=O)[C@@H](CC=CCC=CCC)OC(C)=O 2356484817 IYBHZAIQDKSHHC-LEWJYISDSA-N 350.499 5.289 30 1 FKEF CCCCCCCCCCCC=CC[C@H](O)COC[C@@H]1COC(C)(C)O1 2356543360 OIDMHVREMLCFQV-LEWJYISDSA-N 370.574 5.383 30 1 FKEF C=C(C(=O)O)[C@@H]1CC[C@H](CCC=C(C)CCC=C(C)CCC=C(C)C)CO1 2356587351 IFDPWHHQIPWEFF-GOTSBHOMSA-N 374.565 6.622 30 1 FKEF CCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)cc1 27551310 UZKKSANYJFXGCW-RVDMUPIBSA-N 368.473 5.559 30 1 FKEF CCCC[C@H](CC)CNc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N 33855463 BNLGSPUVPWVNLE-JTQLQIEISA-N 358.700 6.018 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]4C=C(O)C=C[C@H]43)s2)s1 85592358 OHGVJNOZZQEQSA-KBRIMQKVSA-N 366.507 5.685 30 1 FKEF biogenic,in-vitro C=C1[C@@H]2CC[C@@H](C2)[C@]1(C)CC/C=C(\C)COC(=O)c1ccccc1C(=O)O 238739205 GOPWGEUCLQCLRB-DZNYXUEBSA-N 368.473 5.261 30 1 FKEF CCOc1cc(C(F)(F)F)ccc1C#Cc1cc(Cl)ccc1OC 587913899 NAIXETTXBVRAAP-UHFFFAOYSA-N 354.755 5.166 30 1 FKEF O=Cc1ccc(/C=C/C(=O)c2c(O)cccc2OCC2CCCCC2)cc1 28640624 ISLFRWXMGBJEPB-BUHFOSPRSA-N 364.441 5.060 30 1 FKEF CCCCCCCCCCCCC/C=C1/C[C@](CO)(COCC)OC1=O 34800460 ZPFFKORTIDVBPN-YEMUAQJGSA-N 368.558 5.328 30 1 FKEF CCCCCCC/C(C)=C/C(C)=C\C(=O)NCCc1c[nH]c2ccccc12 42920005 FYPDAIJQUOZGTQ-YZXPOQMXSA-N 366.549 6.080 30 1 FKEF C=CC[N@+]1(C)CCCN(C(=O)CCCCCCCCCCCCC)CC1 299844801 BUWNOZUZSQKNFO-RUZDIDTESA-N 365.626 5.552 30 1 FKEF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@]5(CC[C@@]43C)CO5)[C@H]1CC=C2c1cccnc1 1772639936 FABONGUPFNAOSV-SOYGGVAOSA-N 363.545 5.887 30 1 FKEF Clc1ccc2c(NCCN=C3C4CC5CC(C4)CC3C5)ccnc2c1 1857757244 XAOVYUOULJZHHO-UHFFFAOYSA-N 353.897 5.197 30 1 FKEF CCC=C(C)C(=O)C(C)=C[C@H](C)C=C(C)C=C(C)C(=O)[C@H](C)C(=O)CC 2356446710 PGVPJDMZSGQKNW-FOIQADDNSA-N 358.522 5.571 30 1 FKEF C=C(C)[C@]1(C)CC[C@@H]2[C@](CC)(CC[C@@H]3C(CC)(CC)[C@@H](O)CC[C@@]32CC)C1 2356501248 SJVDEZBDRHOHIN-DRSPEVCKSA-N 374.653 7.533 30 1 FKEF Cc1cccc(Oc2ccc(/C(=N/O)N[C@H]3C[C@H](C)CC(C)(C)C3)cn2)c1 72103291 CAOIEAMMVKURIU-WMZOPIPTSA-N 367.493 5.123 30 1 FKEF CCCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 84712981 MCFWQAHODJJXRF-GHSKVMHMSA-N 370.621 7.351 30 1 FKEF C=C1C[C@]2(CCC3(CCCC3)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C 85547255 FWAMSOSQRBOWJG-HDSXVTNQSA-N 354.578 6.667 30 1 FKEF biogenic,in-vitro CCCc1ccc(-c2ccc(NC3=CC(=O)c4ncccc4C3=O)cc2)cc1 103006845 LTXRQJRFFUQIDN-UHFFFAOYSA-N 368.436 5.076 30 1 FKEF CN(C)/C=N/c1cc(-c2ccc(Cl)cc2)nn1-c1cccc(Cl)c1 103215938 HIRDOJZEONCLAF-CIAFOILYSA-N 359.260 5.068 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCCC[C@@H](O)C(=O)O 113984249 VZMAFALCHHMPNA-VFCOFNOGSA-N 354.575 6.640 30 1 FKEF C/C=C1\C(=O)C[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]4(C)[C@@H]3CC[C@@]12C 263636985 JSUJWYWIDCBKFU-UPIVOXAMSA-N 371.609 5.769 30 1 FKEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772606270 VKTLHHJWBGZZJJ-WIYXKHDTSA-N 369.593 5.619 30 1 FKEF CC1(C)CC(C)(C)c2cc(NC(=O)Nc3ccc(C#N)cc3)ccc2S1 1857598970 SEYLPHUWIZVDOB-UHFFFAOYSA-N 365.502 5.754 30 1 FKEF C=CCCCCCCCC/C=C/CCCNc1ccc(C(=O)OCC)cc1 29203625 GYOUVRDLURUWEA-BUHFOSPRSA-N 371.565 6.918 30 1 FKEF CC(C)Sc1sc(C(=O)O)c(-c2ccc(C(C)(C)C)cc2)c1C#N 38147741 NLGSWJFLPVIVOK-UHFFFAOYSA-N 359.516 5.783 30 1 FKEF C/C(O)=N\c1ccc(Nc2nccc3c2cc(-c2ccccc2)n3C)cc1 74386923 XLHRFKZIAFDDAO-UHFFFAOYSA-N 356.429 5.592 30 1 FKEF O=C1/C(=C(O)/C=C/c2ccc(Cl)cc2)CC/C1=C\c1ccc(Cl)cc1 101125092 KUQOTMSKYPBNNR-JNXXTEORSA-N 371.263 6.265 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@H](C)CC 166333056 VQGFLDJIMXABEX-OTDUKCBNSA-N 352.603 7.613 30 1 FKEF CCCCCCCCC/C=C/[S@](=O)c1cc(O)c2ccccc2c1O 169729648 IITYBDHZPSZCDD-FHWWYNCCSA-N 360.519 6.013 30 1 FKEF CCCCCCCCCCn1c(Cc2cccc(Cl)c2)n[nH]c1=S 299822835 CEFLKUDFQRISJK-UHFFFAOYSA-N 365.974 6.326 30 1 FKEF CCCCCCCCCCCCCCc1cc2c3c(cccc3n1)CC2 587214294 RKQXWHYHMZTHMA-UHFFFAOYSA-N 351.578 7.577 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(F)cc1 587625553 KFJOHTCCVVMAEG-UHFFFAOYSA-N 361.260 6.320 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(Oc2ccccc2)c1C#N 587900140 MNJQXBCXALKFJE-UHFFFAOYSA-N 359.812 5.412 30 1 FKEF COc1ccc([C@@H]2c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1C 963192010 PUHOPVSYXKOFON-UKILVPOCSA-N 368.480 5.216 30 1 FKEF CCCCCCC[C@]1(CCCC)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963489537 HSCFSJIQPWZXLH-AVRDEDQJSA-N 361.526 5.046 30 1 FKEF CCCCCCC/C=C/C1=C[C@@]2(C)C[C@]1(C)[C@@H](CCCCCCC)CC2=O 17611568 MJBOCEQQHSSWGQ-OZQMUCCCSA-N 372.637 8.195 30 1 FKEF CCCCCCCCN(C(=O)c1cc2cc(O)ccc2[nH]1)c1ccccc1 38144902 FRPDFGUDAZJLHV-UHFFFAOYSA-N 364.489 5.881 30 1 FKEF CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccccc2-c2ccccc2)cc1 73196078 RLQJGINCIVPNFB-NRFANRHFSA-N 370.448 5.514 30 1 FKEF COc1cccc2c1CC/C2=N\Nc1nc(-c2ccc(Cl)cc2)cs1 84758390 LYZRURHNWICOHQ-CJLVFECKSA-N 369.877 5.235 30 1 FKEF Cc1ccc([C@@]2(CCCC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509035 WXSGWGFDBVFSPL-XMMPIXPASA-N 359.469 5.428 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2ccc(C)cc2)cc1 587904924 DQVLHRNSEWAGMK-UHFFFAOYSA-N 360.840 5.288 30 1 FKEF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C#C[Si](C)(C)C)cc2)N1 962956841 NLPKQWRDKVBFPS-XXBNENTESA-N 372.588 5.411 30 1 FKEF COc1ccc(-n2cc(-c3cccc(N)c3C)c3cc(C#N)ccc32)cc1 1857748635 FVWLGLZEZTWPEM-UHFFFAOYSA-N 353.425 5.068 30 1 FKEF CCCCCCC=CC[C@@H](CCCCCC(=O)O)CCc1ccccc1 2356553963 NMFIWEWVSZZXKA-QFIPXVFZSA-N 358.566 7.187 30 1 FKEF CCCCCCCCCC(=O)OCc1ccc(OCCCC)c(OC)c1 43022219 MBHUCMXFLRZUSF-UHFFFAOYSA-N 364.526 6.058 30 1 FKEF N#CCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1 58590862 VHFLJBCBDLDJAP-UHFFFAOYSA-N 360.360 5.442 30 1 FKEF CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@@]21C=CCO1 261191075 ZEOIRIKFAKERSP-JNFBOQJPSA-N 366.545 5.480 30 1 FKEF C[C@@]12CC[C@H]3[C@@H](C(c4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 1857560454 OPLIQEAVVVBVAF-RSPHESMNSA-N 360.497 5.391 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)CCCC(C)=CCC[C@@H](C(=O)O)CC1 2356407587 FPYLTCXRQURGOI-QPTUXGOLSA-N 374.609 7.713 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=CCC[C@H](C)OC(C)=O 2356729068 FCPHMAOZUSIKSS-FDHFVPJWSA-N 374.609 7.244 30 1 FKEF C#CCOc1ccc(/C=C/C(=O)c2ccc(CC=C(C)C)cc2)cc1OC 2382255939 MTNHXLCWKUYPAA-GXDHUFHOSA-N 360.453 5.112 30 1 FKEF C=C(CC)C(=O)c1ccc(OCCCCCC(=O)O)c(Cl)c1Cl 26497534 BZDPMBQKYOGPQO-UHFFFAOYSA-N 359.249 5.166 30 1 FKEF CC(=O)C1=C(C)Nc2cc(Cl)ccc2S[C@H]1c1ccc(Cl)cc1 43120300 AHURKCUSPHKHHO-SFHVURJKSA-N 364.297 6.115 30 1 FKEF Cc1nn(-c2ccccc2)c(/N=C/c2ccc(O)cc2)c1-c1ccccc1 100150478 RXVFWGSBVGEYKM-LFVJCYFKSA-N 353.425 5.304 30 1 FKEF CC(=O)c1ccc(-c2cc(-c3nc4ccc(C#N)cc4[nH]3)ccc2F)cc1 587139445 JPKNDEVFMIPUFY-UHFFFAOYSA-N 355.372 5.110 30 1 FKEF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(-c3ccccc3)cc1)O2 587387767 WOFMSBHRBKIPRN-DEOSSOPVSA-N 368.436 5.019 30 1 FKEF C=CCc1ccccc1OC[C@H](O)CN(C1CCCCC1)C1CCCCC1 4122052 MLILOCPMFGYBCX-HSZRJFAPSA-N 371.565 5.122 30 1 FKEF CCCCCCCCCCCCN/C=C1\N=C(c2ccc[nH]2)C=C1OC 14277788 FDQXCPYGFLFWFX-UZYVYHOESA-N 357.542 5.700 30 1 FKEF C=C1CCC(CC2(O)CCC(c3ccc(Cl)cc3)(N(C)C)CC2)CC1 27325296 IVGYDFJYDUFABZ-UHFFFAOYSA-N 361.957 5.539 30 1 FKEF CCCCCCCCCCCCCN1CCC(C2CCNCC2)CC1 42965928 QJZJTAWPLVQRGS-UHFFFAOYSA-N 350.635 6.009 30 1 FKEF CCCCCCCS[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100997995 KCOKBDWYBNXFCM-MRQDTFTPSA-N 354.556 5.437 30 1 FKEF C=CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601512 GOWLDZNLNDBGTH-URXFXBBRSA-N 372.420 5.216 30 1 FKEF Cc1cc(Cl)cc2c(C#N)c(-c3ccc(OC(F)(F)F)cc3)[nH]c12 587624456 MOTYUQQTPVFKFJ-UHFFFAOYSA-N 350.727 5.567 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587822695 MAVORXKBVQYJPG-WZFJYNIESA-N 366.318 5.330 30 1 FKEF CC(C)COc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1C#N 587921903 ANPWKEGFGWPCKW-UHFFFAOYSA-N 370.424 5.662 30 1 FKEF O=C(CCCCCCCCCCc1ccccc1)C1=C(O)CCCC1=O 5606870 YTMIWNYJSYVIQA-UHFFFAOYSA-N 356.506 5.874 30 1 FKEF O/N=C1\CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 40767084 KUGSWYUYGMFUIN-BOIHGQTQSA-N 374.528 5.423 30 1 FKEF C=CCOc1cc(OC)c(C(=O)/C=C/c2ccc(C)cc2)c(OCC=C)c1 40954507 RJMLTIUWSCPLML-VAWYXSNFSA-N 364.441 5.029 30 1 FKEF C[C@]12CCC3(C=C1CC/C(=C\c1ccc(O)cc1)C2=O)SCCS3 71316754 TWCVGXQJABDMRD-QZEGLACASA-N 358.528 5.041 30 1 FKEF CCCCCCCCOc1cccc(O)c1C(=O)/C=C/c1ccc(O)cc1 84671393 DXUGYEQBIWDWSM-DTQAZKPQSA-N 368.473 5.733 30 1 FKEF CCCCCCCCCCNC1=C(C)C(=O)c2cccc(OC)c2C1=O 103222853 JOQSQWGLZFRFBW-UHFFFAOYSA-N 357.494 5.079 30 1 FKEF CCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 103993711 OZGGAOMKTLNMDC-SRIJWZPRSA-N 353.462 5.002 30 1 FKEF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587952169 MFVLTBJTZUGOBT-BNLOLNQZSA-N 365.399 5.500 30 1 FKEF N#Cc1c(-c2cccc3ccccc23)cc(-c2ccc3ccccc3c2)nc1O 1772639666 XFUVPGVOHRRGFU-UHFFFAOYSA-N 372.427 6.299 30 1 FKEF C=CCCCCC=CC#CCCCCCCCC[C@H]1C[C@@H](CO)OC1=O 2356417133 RNDRAGJYHLXUOB-VXKWHMMOSA-N 360.538 5.337 30 1 FKEF CCCCCCCNC(=S)Nc1cc(OCC)c(Cl)cc1OCC 66156793 GMNBQCCDUPIEBF-UHFFFAOYSA-N 372.962 5.394 30 1 FKEF C=C(C)C/N=C(\SCC)N(Cc1ccccc1)Cc1ccc(F)cc1 82052082 RWQLBFDIJSEKOX-LNVKXUELSA-N 356.510 5.513 30 1 FKEF Cc1cccc2c1C(=O)C(O)=C(C[C@H](C)CCCCCC(F)(F)F)C2=O 84730889 STYXOFVKIDLDCI-GFCCVEGCSA-N 368.395 5.725 30 1 FKEF O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccc(-c4ccccc4)cc1)(C3)C2)NO 101666152 UYRAOYCLFKFZJH-JSODFGIGSA-N 361.485 5.087 30 1 FKEF C=C1/C=C\C(C)(C)[C@H](OC(=O)c2ccc(O)c(OC)c2)CC/C(C)=C/CC1 169336991 WCPPMAAKIAIVQU-DSZFBOOBSA-N 370.489 5.585 30 1 FKEF CCCCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587882568 GGABAOOZALQEKO-UHFFFAOYSA-N 374.311 5.046 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(CN[C@]3(C)CCC4(CCCC4)C3)=CC(C)=C2C1 2356374772 FRBUDINKNCDAJQ-QLBJFCOMSA-N 367.621 7.108 30 1 FKEF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 2356686633 NFMWHHOYZDYINA-PVDMVPRFSA-N 370.533 5.411 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC=C(C)CCC=C(C)CCC=C(C)C[C@@H]1OC 2356748432 FGDIMNAMJBFDNJ-FTJBHMTQSA-N 370.621 8.113 30 1 FKEF C=C1CCCCCCCCCC[C@@]12SCC[C@H]2CCCCSC 1642109 HOFZDTZMKCWGHW-NHCUHLMSSA-N 354.669 7.482 30 1 FKEF CCC(C)(C)N/C(=N\O)c1ccc(C)nc1Oc1ccc(SC)c(C)c1 72184490 DMWNUWRPVRNYOM-UHFFFAOYSA-N 373.522 5.127 30 1 FKEF CCCCCCCO/N=C1/CCCCCCCCCCC(=O)NCC1 103207932 OELDSEBUVDVVNR-ATJXCDBQSA-N 352.563 5.750 30 1 FKEF CC#CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356425714 JXCAWBKVCGIFHC-JAXAMVQESA-N 356.594 6.056 30 1 FKEF C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]21C)OC(C)=O 2356552254 KJYGPSIJPCJCAC-UXJHKWJQSA-N 362.510 5.138 30 1 FKEF Clc1ccc(N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 72141798 UQSCNYAHUAZDFV-ZVHZXABRSA-N 359.860 5.789 30 1 FKEF Nc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 103200642 RFLLJDLJIHRBRN-RMKNXTFCSA-N 358.224 5.732 30 1 FKEF C=C/C(C)=C/C[C@@H]1C(=C)C[C@@H](OC(C)=O)[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]21C 197330351 JMENQAVVDLRQNF-PTJHCOLCSA-N 374.521 5.002 30 1 FKEF Cc1csc(SCc2ccc(-c3nc4c(C#N)cccc4[nH]3)cc2)n1 587020590 CBQRVCDEAYDXBY-UHFFFAOYSA-N 362.483 5.159 30 1 FKEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587191845 SLVFJUWPGYTKOH-SECBINFHSA-N 365.742 5.247 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2nc(OC(C)C)cc(C)c2c1 587909341 SWYKHAWRHOUGPY-UHFFFAOYSA-N 365.860 5.392 30 1 FKEF COc1ccc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3)C2=O)cc1OC 1857649871 XGFRLGPIWWGQLN-PWDIZTEBSA-N 368.860 5.577 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)C(=CC)C(=O)C[C@]2(C)[C@@H]4CC[C@@H]13 2356687955 HDJAPAUXOZLNPO-VZCVTDGGSA-N 367.577 5.395 30 1 FKEF O=C(/C=C/c1ccc(OCCCCN2CCCCC2)cc1)c1ccccc1 40916157 FNGFXXOILKUHFD-DTQAZKPQSA-N 363.501 5.228 30 1 FKEF CCCCCCCCC/C=C\CCCCc1cc(=O)c2ccccc2n1C 66251155 KQTWSEHIMOOXFF-QXMHVHEDSA-N 367.577 6.948 30 1 FKEF CCCCCCCCCCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444287 CMILJFZXNPHMRY-PMACEKPBSA-N 358.522 6.122 30 1 FKEF C[C@H](CC1CCOCC1)[C@@H]1c2ccccc2CCN1[C@H](C#N)c1ccccc1 963187749 JHNUBSVHBIIART-UKDVSSAZSA-N 374.528 5.303 30 1 FKEF Cc1nc(NN=C2CCN(C)CC2)sc1/N=N/c1ccc(Cl)cc1 1857750825 SSNXYPIUSUMSKU-XUTLUUPISA-N 362.890 5.014 30 1 FKEF CCCCCC=CCCCCCCCCC(=O)C1=C(O)CC[C@@H](O)C1=O 2356484444 URQIXKBPBUXBHD-HXUWFJFHSA-N 364.526 5.349 30 1 FKEF CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3cccc(O)c3)C2=C(O)C1 2602901 WZDOJHAGMONOCR-IBGZPJMESA-N 365.473 5.206 30 1 FKEF C=C1OC(=O)C(C(=O)CCCCCCCCCCCCCCC)=C1O 36176154 AHTDOSYUWQFCFI-UHFFFAOYSA-N 350.499 5.919 30 1 FKEF CSc1nc2c(Nc3cccc(C#N)c3)c3cc(F)ccc3nc2s1 40878412 BOQOOBVEYHOPTE-UHFFFAOYSA-N 366.446 5.321 30 1 FKEF C=CCOc1cc2c(c(OCC=C)c1)C(=O)O[C@H](C)CCCCCCC2 66074331 SLBXXMBQOLQTRH-QGZVFWFLSA-N 358.478 5.258 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccccc1O 71329288 CTRBNBZLLPSOLC-KTKRTIGZSA-N 373.581 7.368 30 1 FKEF CCCCCCCC[C@H](C)CCCCCCCC[C@H](O)C#CC#CCO 86052447 VJTDCONECWWPIO-ZEQRLZLVSA-N 362.598 5.854 30 1 FKEF biogenic FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C#Cc3ccccc3)nc2c1 587954037 ZTRCUXIHNYQWHT-UHFFFAOYSA-N 354.253 5.000 30 1 FKEF CCCCCCCc1cc(-c2ccc3cc(C(=O)O)ccc3c2)ccc1O 1857546700 GYTJMOVXKSPDQS-UHFFFAOYSA-N 362.469 6.424 30 1 FKEF CCC=CCCCCCCCCCCCCC[C@@]1(O)CC(=O)C=C[C@@H]1O 2356621885 TYJQNNWWKJMQRK-XZOQPEGZSA-N 364.570 5.645 30 1 FKEF CC1C2=C(CCCC2=O)N(c2cccc3ccccc23)C2=C1C(=O)CCC2 6996039 XCOYLPLYRAHSNO-UHFFFAOYSA-N 357.453 5.310 30 3 FKEF O=C1C=C(c2ccc(OC(F)(F)F)cc2)C[C@@H](c2ccc(Cl)cc2)C1 36388357 KAULEURTEXPYRU-CQSZACIVSA-N 366.766 5.769 30 3 FKEF COc1cccc(OC/C=C(\C)CC/C=C(\C)C2=CC(=O)C(C)(C)O2)c1 29547058 LOYNCTAMAOXYJH-QOVZJITASA-N 356.462 5.009 30 1 FKEF N#Cc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1C(F)(F)F 587080640 OBTRKIMMSDUABE-UHFFFAOYSA-N 374.753 5.110 30 1 FKEF CCC(CC)(CCC#N)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587734621 RVJDKMPCKXCDAC-SJCJKPOMSA-N 367.306 5.274 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@H](C)OCC2CCC2)cc1 587906177 TXAQNMHBVGPRQQ-INIZCTEOSA-N 354.877 5.626 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1cccc(F)c1F 963183385 BMVHPLIGWSLEOK-GGAORHGYSA-N 360.407 5.177 30 1 FKEF O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1nccc2c1[nH]c1ccccc12 1857757224 NIYRZGYIYPBQCC-JXMROGBWSA-N 366.342 5.631 30 1 FKEF CC(=O)OC[C@@H]1O[C@]1(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356523908 JKDTUPIBGMGXAM-YUVXSKOASA-N 354.575 6.146 30 1 FKEF CC[C@H](CCc1ccc(O)c(OC)c1)C/C(S)=N/CCc1ccccc1 13489527 BSFOORGIRVILDL-QGZVFWFLSA-N 371.546 5.321 30 1 FKEF C=C(CCc1ccc(C)cc1)C1=C(C)C(=C)[C@H]2CC[C@H](CC#N)C(C)(C)C2=C1 43071134 AOIQERYGVZXFRM-DNQXCXABSA-N 371.568 7.263 30 1 FKEF CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)cc1 103522863 LPGLGDZXLBAYOY-VZFXBBDVSA-N 353.462 5.010 30 1 FKEF C=CCc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OCC 587477127 FCZZBXWFUOETIO-JOCHJYFZSA-N 366.457 5.178 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C(=O)O)s2)cc1 587920836 OBSJKRSQBDINON-UHFFFAOYSA-N 368.841 5.175 30 1 FKEF O=C(O)CCCCCC#CC=CCCCCC#CC=CBr 2356391081 PKRHWWLSHFMWNA-UHFFFAOYSA-N 351.284 5.054 30 1 FKEF C=CC(C)(C)c1cc2cc3c(c(CC=C(C)C)c2oc1=O)OC(C)(C)C=C3 15120968 PIOKBHKPGZHPHS-UHFFFAOYSA-N 364.485 5.950 30 1 FKEF endogenous,in-man C=C1[C@H](OC(C)=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 85994303 LVCNTQGACCPCKA-DQUFGQPPSA-N 364.526 5.218 30 1 FKEF Fc1ccc(N2/C(=N/Nc3ccccc3)CSC23CCCCC3)cc1 96932566 PTKMVEPZOXUDRG-FCDQGJHFSA-N 355.482 5.465 30 1 FKEF C=CCN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 100872554 MMRRATOYUMFVAD-XPNTWCBSSA-N 367.920 5.627 30 1 FKEF O=C1/C(=C/c2ccnc3ccccc23)CC/C1=C\c1ccnc2ccccc12 103234273 IEJNKQYBMJIRJU-MXWIWYRXSA-N 362.432 5.613 30 1 FKEF biogenic C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(c(C)cc3c1[nH]c1c(OC)cccc13)O2 238734100 LLNNPDWCMNJBKW-PQNFPLSNSA-N 361.485 6.249 30 1 FKEF C=CC[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 299846170 XWHJREUWFMMSHD-ULGIXDOUSA-N 371.548 5.460 30 1 FKEF C=CCOc1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497430 AURSYOPGZCTGDR-NRFANRHFSA-N 368.860 5.490 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cncc(SCc2ccccc2)c1 587918953 CLKAYPNQORFDEJ-UHFFFAOYSA-N 365.885 5.436 30 1 FKEF CN[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@]35CC[C@]12C 2356561570 AJAVHIZBCQNHJK-KFBWRBLJSA-N 369.593 5.379 30 1 FKEF O=C1C=C(c2cccc3c2oc2ccccc23)C[C@@H](c2ccc(F)cc2)C1 36389306 XPBDUHFJIBSTIE-MRXNPFEDSA-N 356.396 6.255 30 3 FKEF C/C(=N/O)c1cccc(Nc2nc3ccccc3c3[nH]c4ccccc4c23)c1 5597229 CFFACRWPWIZWGJ-VYYCAZPPSA-N 366.424 5.811 30 1 FKEF Cc1cc(C#N)cc(C)c1Nc1ccc(F)c(Nc2ccc(C#N)cc2)n1 149479031 JUEIHDIUDUUHTD-UHFFFAOYSA-N 357.392 5.068 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@@](C)(COC(=O)CC(=O)O)CCC[C@]23C)C1 238761831 ADRMEPMWXLEIKU-MMORHLLASA-N 374.521 5.140 30 1 FKEF CCCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@]2(C)C=CC(=O)C=C12 261171814 TWSVBZORGBDMKX-SVTSUPGHSA-N 368.561 6.060 30 1 FKEF C=CC[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822503 KZIKEYVXGPGDDS-WRSAYESZSA-N 352.291 5.084 30 1 FKEF COc1cccc(/C=C/C(=O)c2sc(Nc3ccccc3)nc2C)c1 64526968 PQIWGZQREPHJCA-VAWYXSNFSA-N 350.443 5.100 30 1 FKEF CCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O 299862704 NPHSMQOBCGRVGV-UHFFFAOYSA-N 364.526 5.660 30 1 FKEF C=CCCCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811733 GWHAZWGZCMAAIL-FZKQIMNGSA-N 354.307 5.474 30 1 FKEF CS/C(N)=N/CCCCCCCCCCCCCC/N=C(\N)SC 12502908 IOKDMHHZKWLWKO-UHFFFAOYSA-N 374.664 5.023 30 1 FKEF in-vivo C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)CC(=O)c1ccc(O)cc1O 15113893 GRNAGUJNQRJEQR-JBSURENYSA-N 356.506 6.336 30 1 FKEF FC(F)(F)c1cc(C#Cc2n[nH]c3ccccc23)cc(C(F)(F)F)c1 66251572 PBTMDZSKRVIXLW-UHFFFAOYSA-N 354.253 5.000 30 1 FKEF CCC[C@H]1C[C@@]2(CC[C@H]3C[C@@H]2C3(C)C)OC2=C1C(=O)C(C)(C)C(=O)C2(C)C 299829591 HRXSXWWZDQGJRG-FLLLTOGHSA-N 372.549 5.476 30 1 FKEF CN1/C(=C\C=Nc2ccccc2)N(c2ccccc2)c2ccc(Cl)cc21 377814232 WAIBPQZXBUNNLQ-AXXAPAIGSA-N 359.860 6.172 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)cc(Cl)c1Br 587916149 DCPMSPBLCIESNG-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF N#Cc1ccc(OC(=O)c2c(-c3ccccc3)sc3c2CCCC3)cc1 1772617103 WBFRYDMWZDCKQZ-UHFFFAOYSA-N 359.450 5.385 30 1 FKEF COc1cccc([C@H]2c3cccn3-c3ccccc3N2/C=N\C(C)(C)C)c1 263590288 IBKJZRAUYKVZJN-ZKFYFQMZSA-N 359.473 5.222 30 3 FKEF C=C[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C\Cl)[C@@H]2CCc3cc(O)ccc3[C@H]21 13556121 SSQWPMLTYOGGLM-XITZMQDRSA-N 358.909 5.144 30 1 FKEF C=CCOc1ccccc1[C@H](Nc1cccc(F)c1)[C@H]1CCCCC1=O 66251568 HOAZRCMWCFNOPE-PGRDOPGGSA-N 353.437 5.303 30 1 FKEF C=C1C[C@]2(CCC3(CCCC3)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23 85547249 RLZPIHCBWILNHW-SIVGVRJXSA-N 354.578 6.667 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCOC(=O)/C=C\c1ccc(O)c(OC)c1 90215372 GSGVKEOQRLQPPH-PEZBUJJGSA-N 362.510 5.878 30 1 FKEF N#CCc1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628210 PIKFNUKJDVSOMK-UHFFFAOYSA-N 369.268 5.334 30 1 FKEF CCc1ccc(-n2c(C)cc(-c3[nH]c4cccc(F)c4c3C#N)c2C)cc1 587635476 ILSPMNMLBXQWFF-UHFFFAOYSA-N 357.432 5.816 30 1 FKEF N#Cc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1C#N 587949395 FFEBGOYDDDCSKM-ZHACJKMWSA-N 362.392 5.269 30 1 FKEF CCCCCCCCn1cc(CN2CCC(C)CC2)c2ccc(F)cc21 1772655160 JSQBCOBMWJCOFK-UHFFFAOYSA-N 358.545 6.373 30 1 FKEF C=CCCC=CC#CC#CCCCCCCCC[C@H]1C[C@H](COC)OC1=O 2356416642 ATRXNBRPMCIVSA-XZOQPEGZSA-N 370.533 5.215 30 1 FKEF CCC(=O)[C@@H](C)C(=O)C(C)=CC(C)=C[C@H](C)C=C(C)C(=O)C(C)=CC(C)C 2356431260 JKSSPGWIWKMCSU-HRAATJIYSA-N 372.549 5.817 30 1 FKEF O=[N+]([O-])c1ccc(C(=NNc2cccc3ccccc23)c2ccccc2)cc1 2356833319 MYVHWGUQUOSBLZ-UHFFFAOYSA-N 367.408 5.613 30 1 FKEF CCCCCCCCCCCCCCCc1nnc(-c2ccncc2)o1 43562097 QYQPIRNTCAZREW-UHFFFAOYSA-N 357.542 6.765 30 1 FKEF Cc1cccc(Oc2ccc(/C(=N/O)N[C@H]3C[C@@H](C)CC(C)(C)C3)cn2)c1 72103293 CAOIEAMMVKURIU-AEFFLSMTSA-N 367.493 5.123 30 1 FKEF CCCCCCCCCCCCCCCc1ccc2c(O)nc(O)nc2n1 587560512 CTUSBSQTFUWLSC-UHFFFAOYSA-N 373.541 6.070 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccccc2)c2ccccc12 587909883 BSEAWIJMNZOKLG-UHFFFAOYSA-N 368.863 6.569 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)ccc1SC 587914386 DBQAVIAXUXNUCU-UHFFFAOYSA-N 372.795 5.369 30 1 FKEF O=C(/C=C/c1cc2ccccc2[nH]1)c1cc2ccc(Br)cc2[nH]1 1772599188 IAEKSWFKQKJYDU-BQYQJAHWSA-N 365.230 5.308 30 1 FKEF CCCN(CCC)[P+](CC)(N(CCC)CCC)N(CCC)CCC 5246737 MUCNTDNNNFCWFT-UHFFFAOYSA-N 360.591 6.135 30 1 FKEF CCCCCCC[C@]1(c2cccc(Cl)c2)C(=O)N=C(SC)N1C 84687171 VKWHTOFFOFYPPY-SFHVURJKSA-N 352.931 5.087 30 1 FKEF CCCCCCCCc1ccc([C@H]2CC[C@@H]([N+](C)(C)CCO)CC2)cc1 102930968 NTNMKHVTKXMICS-RQNOJGIXSA-N 360.606 5.685 30 1 FKEF CCCCCCCCCC[C@@]1(c2ncco2)NCCc2ccc(O)cc21 963352943 NPZBKHXSLWZNKL-JOCHJYFZSA-N 356.510 5.300 30 1 FKEF CCCCCCCCn1cc(CN2CCCCCC2)c2cccc(OC)c21 1772614104 DSVYIUFMMQLDMG-UHFFFAOYSA-N 370.581 6.386 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](O)COC(=O)CCCC 2356460527 YXJYYEAYENRXMY-JOCHJYFZSA-N 370.618 6.952 30 1 FKEF CCCCCCCCCc1c[nH]c(C=C2N=C(c3ccc[nH]3)C=C2OC)c1 2356654272 ZFWNFDJEWPSCJW-UHFFFAOYSA-N 365.521 6.010 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@@H]1OC(C)=C3C(=O)OC(C)(C)[C@@H]4CC[C@]12[C@@H]34 2356790385 FMYRDMFDPRCQQF-YEKPRJOZSA-N 368.517 5.330 30 1 FKEF O=C1C(Cl)=C(N(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 43011506 FDLBGLHYVRBXLY-UHFFFAOYSA-N 359.812 5.354 30 1 FKEF CCCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2 43532343 FMUHMPQVJCLKDI-UHFFFAOYSA-N 366.593 7.446 30 1 FKEF CC[C@H](C)CC[C@H](C[C@H]1O[C@]1(C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191576 CKTDKWGLYNYMOS-UBCNIHEASA-N 366.674 8.265 30 1 FKEF C[C@@H]1/C(=N/N=C/c2ccco2)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 169318993 JDHQHTPTHOGYCV-PUSUFXNTSA-N 357.457 5.167 30 1 FKEF O=C1C[C@@H](c2cccc(Cl)c2)CC(O)=C1Sc1ccccc1Cl 299830025 USTRLPGVEOTAJW-LBPRGKRZSA-N 365.281 6.002 30 1 FKEF C=CCc1cccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 587030333 CWYZSTJLRHFZGK-HNNXBMFYSA-N 373.525 6.250 30 1 FKEF C=CCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 587208293 ODNOCQBROSWRPO-UHFFFAOYSA-N 350.259 5.491 30 1 FKEF C[C@@]1([C@@H](C#N)c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587505981 MXIJZBLARPMENF-AVRDEDQJSA-N 365.860 5.250 30 1 FKEF Fc1ccc(-c2[nH]c3ccccc3c2/C=N/Nc2cc(F)cc(F)c2)cc1 653693888 DRYHEUYDHYLROR-BRJLIKDPSA-N 365.358 5.698 30 1 FKEF CC1=C[C@@H]2Cc3[nH]c4cc(Cl)ccc4c(=NCCCCC#N)c3[C@H](C1)C2 1772598007 KPTRIEXMOQLDNE-JKSUJKDBSA-N 365.908 5.412 30 1 FKEF CCCCCCCCCCCCC=CCCC=CCCCC(=O)OC 2356306035 AKCJXIPVDJNKKL-UHFFFAOYSA-N 350.587 7.533 30 1 FKEF O=c1oc2cc(N=Cc3c(Cl)cccc3Cl)ccc2c2ccccc12 2356392976 VVHLUWPBNLMWJB-UHFFFAOYSA-N 368.219 6.004 30 1 FKEF CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c4c([nH]c23)C(=O)C=C(C)C4=O)O1 14684050 MKKICXDLMPFUNZ-HSZRJFAPSA-N 361.441 5.404 30 1 FKEF biogenic CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccccc3)c2O)O1 14713312 XKBWBVSFQXIHLM-BVYAJCBJSA-N 374.480 6.199 30 1 FKEF CCOC(=O)[C@@](C)(C#N)[C@H](c1ccccc1OC)c1cccc2ccccc12 28865617 CBUZULIIAXHASW-UPVQGACJSA-N 373.452 5.073 30 1 FKEF CCCCCCCCCCCCC(=O)N[C@H](CCCC)CCC(=O)O 36144469 VURSRCNOGUSCIN-LJQANCHMSA-N 355.563 5.837 30 1 FKEF CCCCCCCCC(=O)Oc1c(OC)cc2ccnc3ccn(C)c1c23 44430995 DYZVYLPIAJBRPF-UHFFFAOYSA-N 368.477 5.391 30 1 FKEF Cc1cc(F)c(Cc2cnc(Nc3ccc(C#N)c(Cl)c3)o2)c(F)c1 95585424 TYKQOOLNMJDVCS-UHFFFAOYSA-N 359.763 5.121 30 1 FKEF O=C(C(=S)Nc1ccccc1)[C@@H](/C=N/c1ccccc1)c1ccccc1 169686677 WSOXYTIBSUTHGB-NGIIGVMLSA-N 358.466 5.181 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1ccc(C(F)(F)F)cc1 299831468 IZSGRWORFDRBFE-CYBMUJFWSA-N 364.388 5.714 30 1 FKEF Cc1c(Cl)ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 586910242 NRKLLLDPXRRVCG-HXUWFJFHSA-N 374.912 5.174 30 1 FKEF C=CCc1ccc(Oc2cc(CC=C)cc(OC)c2OCC)c(OC)c1 1857575989 ZMFZQYAMPBNHEX-UHFFFAOYSA-N 354.446 5.352 30 1 FKEF CCCCCCCCCCCCCCCCC[C@H](C)C(=O)CCCCC 2356529239 YXTMOGKDCHGEMG-DEOSSOPVSA-N 366.674 9.033 30 1 FKEF N#Cc1ccc(C(F)(F)F)cc1N/N=N/c1c(Cl)cccc1Cl 27993909 SKCFSAXATAMFBT-UHFFFAOYSA-N 359.138 5.995 30 1 FKEF C/C=C\CCCCCCCCCCCCCCCCCCCCCC 137329802 FBNVVWQGXNHZAR-HYXAFXHYSA-N 350.675 9.775 30 1 FKEF CCCCCCCCCCCCCCCCCN(C)CCN(C)C(C)=O 137650493 QXTPZXSCPBYHQO-UHFFFAOYSA-N 368.650 6.268 30 1 FKEF C#CCOc1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1Cl 962667819 VVBFHFNYQOSVHL-XMMPIXPASA-N 373.883 5.254 30 1 FKEF N#Cc1ccc2[nH]c(-c3ccccc3)c([C@H](C[N+](=O)[O-])c3cccs3)c2c1 1857597617 LGNKRYCADOAUNE-QGZVFWFLSA-N 373.437 5.177 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(=CC(=O)O)COC(C)=O 2356754924 UZVOKBODOSKIIR-NNMXDRDESA-N 362.510 5.140 30 1 FKEF CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3cnc4ccccc4c3)c2O)O1 95589338 SHEMFEDXNPJVEX-VQHVLOKHSA-N 357.409 5.021 30 1 FKEF CCCCCCCCCCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C 100733237 DDQBFKNOKOZBQK-FOVJLYNBSA-N 357.582 6.057 30 1 FKEF N#Cc1cccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)c1 144752068 FDVIKSFIFSVKGL-HXUWFJFHSA-N 351.327 5.004 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1 587904866 AQABFXRGTLTYSK-UHFFFAOYSA-N 369.892 5.007 30 1 FKEF COc1ccc(Cl)cc1C#C/C(C)=C/c1ccc(Cl)nc1S 587919234 VTVHFINYYZODCH-PKNBQFBNSA-N 350.270 5.141 30 1 FKEF C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\c1coc(C(C)(C)C)n1)OC 13473244 OBPZKJXDTGPGOJ-KOSHRXDPSA-N 357.538 6.639 30 1 FKEF CCc1ccc(/C=C2\CCC3=CC4(CC[C@@]3(C)C2=O)SCCS4)cc1 71316010 TVRWCRNFAMCNOQ-IYYMRFBLSA-N 370.583 5.898 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 587066757 HDCJXBZHTMZUHE-UHFFFAOYSA-N 374.896 6.076 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2[nH]c3c(c2c1)CCCCCC3 587906954 AJXCKINIUKDWDR-UHFFFAOYSA-N 363.888 5.889 30 1 FKEF COc1ccc(/C=N\Nc2ccnc3cc(F)c(C)cc23)c2ccccc12 48308945 JSPHZLYBRIGZSL-MXAYSNPKSA-N 359.404 5.290 30 1 FKEF C=CCn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 103210304 OCCFKWZGAVQHLM-UHFFFAOYSA-N 364.663 5.758 30 1 FKEF CCCCC(=O)/C=C/CCCCCCc1cc(=O)c2ccccc2n1C 210762329 RYOZJPAVHRFRAH-XNTDXEJSSA-N 353.506 5.347 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(SCCC(F)(F)F)c1 587912341 FMJAEKBUCKPPSA-UHFFFAOYSA-N 370.823 5.793 30 1 FKEF CCCCCCCCn1cc(CN2CCC(C)CC2)c2cc(OC)ccc21 1772654224 FSYJECSTEPLNGR-UHFFFAOYSA-N 370.581 6.242 30 1 FKEF CC[C@@H]1C[C@H]2C3=CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1772656351 VMLGXFVIHIKDSA-SVLVZLANSA-N 373.540 6.163 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](O)C=CC=CC(=O)O 2356324591 KKPWDPXWIUPCGB-NRFANRHFSA-N 352.559 6.416 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2C(=CCC=C(C)C)[C@H](OC)O[C@@H](OC(C)=O)[C@@H]12 2356386859 YWNFEGSZFPYUPC-CWKRKGSWSA-N 374.521 5.470 30 1 FKEF CCCCCCCCCCCCCC=CC[C@H](COC[C@@H](O)CO)OC 2356728354 HAEKESXEMFDAFY-FCHUYYIVSA-N 372.590 5.019 30 1 FKEF CC(=O)/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C=C/CC(=O)O 215857275 BPKMPDBOJSCKEJ-BFADOSBYSA-N 362.469 5.612 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Br)ccc1Cl 587898983 VUDBRJTVBWDXFF-UHFFFAOYSA-N 370.073 5.359 30 1 FKEF CC#CCCCCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587957270 UWSUOXSGOMTMJX-UHFFFAOYSA-N 372.818 6.021 30 1 FKEF C=C1[C@H]2CC[C@@](C(=O)CCc3ccccc3)([C@@H]2OC)[C@@]1(C)C1CCCC1 2356440942 XELMFKCJQTWXBI-MSNJVRRCSA-N 352.518 5.366 30 1 FKEF CC(=O)OC[C@@H]1O[C@]1(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2356523905 JKDTUPIBGMGXAM-BLKABHOGSA-N 354.575 6.146 30 1 FKEF C=C1CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC(C)=CC(=O)O 2356727797 ULWOIBVJYLRVQJ-YUVXSKOASA-N 362.510 5.140 30 1 FKEF C#CCOc1cccc2c1-c1ccc3c(c1[C@H](CC=C)O2)C(C)=CC(C)(C)N3 13493601 SNHVWFHHKLONNR-FQEVSTJZSA-N 371.480 5.983 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1 85773072 MVJPWTFBRAZGDC-UHFFFAOYSA-N 372.593 7.700 30 1 FKEF endogenous,in-man CCCCCCCCCCCCCCOc1cc(OC)ccc1C(C)=O 1772593157 OJAHOSAOOWNGTA-UHFFFAOYSA-N 362.554 6.978 30 1 FKEF C=C[C@]1(C)CC[C@]2(C)[C@H](CC[C@]3(O)[C@@H]2CCC[C@]3(C)COCC(C)=CC)C1 2356437344 OZVOQLQAPWZOIF-CRNSPECLSA-N 374.609 6.299 30 1 FKEF CC(=O)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@@]12C 2356515346 KZLRFHAMRYWCOP-JZKQJPFZSA-N 369.593 5.475 30 1 FKEF CC(C)(C)c1cc(C2=CC(=O)C(=O)c3ccccc32)cc(C(C)(C)C)c1O 13443888 RVDSRWWXVKJXBB-UHFFFAOYSA-N 362.469 5.184 30 1 FKEF N#Cc1ccc2[nH]c(-c3ccncc3)c(-c3ccc(Cl)c(Cl)c3)c2n1 40952588 AVAWJZQFPDDPSF-UHFFFAOYSA-N 365.223 5.470 30 1 FKEF CCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1 169336645 OMSGVGNQIOVWHR-UHFFFAOYSA-N 362.554 6.943 30 1 FKEF CON=C1[C@H]2C[C@@H](C)C[C@H]1[C@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 253863654 IDVQFEASHNUUHC-FEKYKSCKSA-N 370.443 5.015 30 1 FKEF C=C(C#Cc1cc(Cl)ccc1OC)C(F)(C(F)(F)F)C(F)(F)F 587912220 CYHUIGVLILOKRL-UHFFFAOYSA-N 360.656 5.089 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@H]1Cc1ccc(F)cc1 963205075 NAQZJNPSLNZCDX-DNQXCXABSA-N 356.444 5.232 30 1 FKEF C=C(C(=O)O)[C@@H]1CC[C@@H](CCC=C(C)CCC=C(C)CCC=C(C)C)CO1 2356587352 IFDPWHHQIPWEFF-PKTZIBPZSA-N 374.565 6.622 30 1 FKEF CCCCCCCCSC(=S)c1c(C)[nH]n(-c2ccccc2)c1=O 2142999 MMIQSHMYFZBDDI-UHFFFAOYSA-N 362.564 5.243 30 1 FKEF Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)o1 36383886 BSHVJODVQWCOCC-HXUWFJFHSA-N 353.462 5.402 30 1 FKEF CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O 40164344 HPSWUFMMLKGKDS-DNKOKRCQSA-N 356.550 7.329 30 1 FKEF in-vivo CCCCCCCCCCCCCCOc1cccc(O)c1C(=O)OC 43307929 YYVACOKHVQZSNI-UHFFFAOYSA-N 364.526 6.259 30 1 FKEF CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CC)[C@H]2C1 58577382 GTJDKKGEHMPRJD-RBBKRZOGSA-N 358.526 5.174 30 1 FKEF CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccccc1)C2 64548895 VCEJMHNOSGQHLI-UHFFFAOYSA-N 366.892 5.267 30 1 FKEF C=CCc1c(CCC)nc(-c2ccccc2)nc1Nc1ccc(C(=O)O)cc1 71282350 WPMZETGHAVFGAJ-UHFFFAOYSA-N 373.456 5.266 30 1 FKEF CCCCCCCCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C 238775825 WBBCNGSATYECFE-DMJZPDMHSA-N 361.614 7.128 30 1 FKEF C=CCc1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017818 QCRHNTSTPDZUHB-UHFFFAOYSA-N 359.454 5.017 30 1 FKEF C=C(C)[C@@H]1CCC(C)=C[C@@H]1[C@@H]1[C@H](O)C[C@@H](C=CC=CC)C[C@H]1OC=CC 2356332788 JIKOATDNDJNLDZ-AMYLDRNJSA-N 356.550 5.973 30 1 FKEF COC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356791964 JEGXOFSOVHNFEU-AOEZPDJKSA-N 372.549 5.334 30 1 FKEF COc1ccc(/C=C/C(=O)c2cc(CC=C(C)C)c(OC)cc2OC)cc1 14819171 UQPXNSHFJDBRBX-UKTHLTGXSA-N 366.457 5.117 30 1 FKEF CCCCCCCCCCCCCCN[C@@H]1CCc2ccc(O)cc2C1 42920263 SIXLGMXPHCEFSA-HSZRJFAPSA-N 359.598 6.540 30 1 FKEF CCCCCCCCCCCCCC(C)=C(C(=O)OCC)C(=O)OCC 72173489 UIZUDMAVNMFRIS-UHFFFAOYSA-N 368.558 6.130 30 1 FKEF CCCCCCCC[C@H](CCC/C=C/C(=O)O)Cc1cccc(C#N)c1 85510573 BADPUGUHZNXNLE-NXZBIGBUSA-N 355.522 6.279 30 1 FKEF biogenic,in-vitro CCCCCCCC/C=C\CCCCCC/C(C(=O)O)=C(\CO)C(=O)O 238782729 GGNKNYMJZBSUCT-DEXHTJMYSA-N 368.514 5.092 30 1 FKEF CC=C1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@]35CC[C@@]12C 2356455621 BCMOWDMOMYVIPH-WLQBQDQRSA-N 355.566 5.262 30 1 FKEF CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@@H](C)CCCC=O)oc1=O 28455855 CNYCFOXQYXUWBY-ZQJCRNIMSA-N 374.477 5.084 30 1 FKEF C/C(=N\O)c1cccc(C(C)(C)NC(=O)Nc2ccc3ccccc3c2)c1 95577607 AFAJOMGRNOVMMO-MFKUBSTISA-N 361.445 5.095 30 1 FKEF N#Cc1ccc2c(C(=O)C3c4ccccc4Oc4ccccc43)coc2c1 587278856 VPTXBKHJIIOWAZ-UHFFFAOYSA-N 351.361 5.425 30 1 FKEF Cc1cc(Cl)cc2c(C(=O)/C=C/c3ccccc3)c(C(F)(F)F)[nH]c12 587623995 CXYLKIYBTZDLBG-BQYQJAHWSA-N 363.766 6.045 30 1 FKEF C=C(C)[C@@H]1CC=C([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587822252 JLXJYRKFMSEMIP-XEKQOVJPSA-N 364.302 5.466 30 1 FKEF CCCCCCC=CCCCCCCCC=C1C[C@](C)(CO)OC1=O 2356418779 WAOINSYXSKSPET-JOCHJYFZSA-N 350.543 5.868 30 1 FKEF CC(C)c1cccc(Oc2cc(/C(=N/O)N3C[C@H](C)C[C@@H](C)C3)ccn2)c1 72186601 LSHRDMJSAHOFSE-RSUKXSQWSA-N 367.493 5.111 30 1 FKEF CC(C)CCCCCCCCCCC/C(O)=C1\C(=O)[C@H](C)N(C)C1=O 100090386 DOKONNWENRHBTP-NSURYPBFSA-N 351.531 5.175 30 1 FKEF in-vitro CCCCCCCCCCCCCC[C@H](C)CCCCCCCCCC 118606363 ZQPLZRKQNMWCPZ-AREMUKBSSA-N 366.718 10.245 30 1 FKEF CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 169333006 LITALIXFZJINEA-NPTSLVBXSA-N 370.443 5.159 30 1 FKEF CCCCCCCC/C=C/CCCCCCCCC[C@@H](O)C#CC#CCO 223049296 NKDFAYUSKHUVJW-YHZGQTRVSA-N 374.609 6.164 30 1 FKEF C=CCc1cccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587150839 TYCDQUVFBFYKCG-QFIPXVFZSA-N 357.432 5.632 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(C(C)C)c1 587904381 KOVIDZQNILMSFC-UHFFFAOYSA-N 363.682 5.634 30 1 FKEF CCCCCCC[C@@H](CC=CCCC(=O)NCCc1ccccc1)OC 2356733439 VPNLGLXHRKAYHD-QFIPXVFZSA-N 359.554 5.447 30 1 FKEF Cc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3ccc(Cl)cn23)cc1 95567628 FVLQYOBXVVYYNW-UHFFFAOYSA-N 357.844 5.426 30 3 FKEF C=C(C)[C@@H]1CC[C@H](C)C[C@H]1c1c(O)cc(C(C)(C)CCCCCC)cc1O 28569455 IRHTZHGXQIWQNQ-SESVDKBCSA-N 372.593 7.442 30 1 FKEF CCCCCCCCCCCCCCCCCC(=O)C[C@H](O)CCCC 85922167 QQVTXKCJJWFFGH-HSZRJFAPSA-N 368.646 7.758 30 1 FKEF endogenous,in-man N#Cc1ccnc(Nc2ccc(Oc3ncccc3-c3ccccc3)cc2)c1 139304063 GNZSCWCNWZHORF-UHFFFAOYSA-N 364.408 5.551 30 1 FKEF O=[N+]([O-])C(/C(=N\C1CC1)Sc1ccccc1)=C(/Cl)[C-](Cl)Cl 169693283 LIROMHPOEFDVAM-DWLYSLLYSA-N 364.661 5.034 30 1 FKEF C[C@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 195389368 YNCUBWWVYADNTK-JEVBVHRESA-N 370.496 5.671 30 1 FKEF CCCCCCCCCCC[C@H](O)CCC(=O)CCCCCCCCC 196560733 FDHVJRFUCJWVEB-DEOSSOPVSA-N 368.646 7.758 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccc(C)cc1)N[C@@H]2c1ccc(C)cc1 253782673 SYTQKDUUDPBAEW-MPXBBRPJSA-N 362.517 5.498 30 1 FKEF CCC1=CCC=CC=CCC(=O)C=CCCCCc2cc(=O)cc(o2)O1 2356440266 UWMACJXUTXHZFZ-UHFFFAOYSA-N 354.446 5.057 30 1 FKEF CCCCCCCCN1c2ccccc2C(=O)N(O)[C@@H]1c1ccccc1O 2382246345 JFVRNPARVVHNSG-OAQYLSRUSA-N 368.477 5.103 30 1 FKEF Cc1cc2nc3c(C#N)c4c(c(-c5ccc(Cl)cc5)n3c2cc1C)CCC4 1661954 XJOFSFCZDXBVHP-UHFFFAOYSA-N 371.871 5.785 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=C(C(F)(F)F)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 26834901 OMHOOFKINHBDCB-KZQROQTASA-N 354.412 5.020 30 1 FKEF CC(=O)C1=C(C)Nc2cc(Cl)ccc2S[C@@H]1c1ccc([N+](=O)[O-])cc1 43013819 NJDAOEIBUPRIKB-GOSISDBHSA-N 374.849 5.370 30 1 FKEF CCCCCCCCc1nc(S)nnc1CCCCCCCC(=O)O 66103815 RVSIFRZBQFMPIB-UHFFFAOYSA-N 367.559 5.031 30 1 FKEF C[C@@]12CCC3(C=C1CC/C(=C\c1ccc(O)cc1)C2=O)SCCS3 71316753 TWCVGXQJABDMRD-LBKOFNPBSA-N 358.528 5.041 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O 85922246 ULNRTPCFRBIMKL-GHVJWSGMSA-N 366.630 8.449 30 1 FKEF endogenous,in-man CCCCCCCCCCCCC[C@H]1Cc2cccc(OC)c2C(=O)O1 85966674 XLHGNDPCTOKAMI-FQEVSTJZSA-N 360.538 6.478 30 1 FKEF biogenic CCCCCC/C(C)=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 96928884 UIPIYIDCDOEEIM-CIAFOILYSA-N 370.349 6.875 30 1 FKEF CCCSC1=C2CC[C@H]3[C@@H](CC[C@@]4(C)C(=O)CC[C@H]34)[C@]2(C)CCC1=O 253637771 KECSLKZJFNOOFU-UZNYBUTGSA-N 360.563 5.558 30 1 FKEF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)CC[C@H]1C(C)(C)S 587489891 FJQIDNMXQWUHSM-MPKWNAGQSA-N 362.535 5.193 30 1 FKEF CCCCC(=O)c1ccc(Cl)c(C#Cc2cc(Cl)ccc2OC)c1 587900172 KGTQYEVAHBTBAH-UHFFFAOYSA-N 361.268 5.775 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2)nc1C 587903039 IPGRFYAGWPOZJW-UHFFFAOYSA-N 363.844 5.031 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(Nc2ccc(Cl)cc2)cc1)CCC=C(C)C 653729605 REZIKIQXCOKCGL-KWYINTIXSA-N 365.948 8.036 30 1 FKEF CCC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@]5(CO5)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 2356579784 DWXSJAAPPYYVFJ-HMQLODDKSA-N 360.582 5.575 30 1 FKEF CC(=O)OCc1cocc1[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=O 2356808060 YKEOLTDVFAPURE-WAGURGNTSA-N 360.494 5.042 30 1 FKEF CCCCCCCCCCCCCCO[C@H](CC(=O)O)C[N+](C)(C)C 43273659 WSVJUZMWTWKVKZ-HXUWFJFHSA-O 358.587 5.254 30 1 FKEF CCCCCCCCCCCCCC(=O)O[C@H](c1cnco1)C(C)(C)C 49881548 RJSHZUSOGQRUED-OAQYLSRUSA-N 365.558 7.006 30 1 FKEF CCc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc1 84654538 CFGBMYSZLFWURM-DJOYVXLESA-N 364.514 5.509 30 1 FKEF CCCCCCCCOc1ccccc1/C=C/C(=O)c1ccc(O)cc1O 299838805 RELRIMBSCYMIPS-NTCAYCPXSA-N 368.473 5.733 30 1 FKEF CCCCCCCON=C1CCCCCCCCCCC(=O)OCCC1 472800228 IXXXABVLZGNTAD-UHFFFAOYSA-N 367.574 6.567 30 1 FKEF C=CCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099924 XTEGOIYFOGWPEA-UHFFFAOYSA-N 361.444 6.150 30 1 FKEF C=CCc1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587123597 DZBMURIDQFYKDO-FMIVXFBMSA-N 360.404 6.074 30 1 FKEF Cc1ccc(-n2c(C)cc(-c3[nH]c4cccc(F)c4c3C#N)c2C)cc1C 587636395 ZTIACABQPMOPJP-UHFFFAOYSA-N 357.432 5.870 30 1 FKEF CC(C)COc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1C#N 587923145 QYFKMDWMSANIBK-UHFFFAOYSA-N 352.434 5.523 30 1 FKEF CC(C)[C@@H]1CC[C@]2(C)CCC[C@H](C=O)[C@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356500091 NLJASCRUZYABSR-ILCIMEMOSA-N 368.517 5.299 30 1 FKEF O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 1653481 VRLAEWGWDYSYDC-ZUJOODJSSA-N 366.844 5.485 30 1 FKEF CCCN(CCC)[C@@H]1CCC2=C(CCC/C2=N\OC(=O)c2ccccc2)C1 40709789 DFHJGWUDXWMIOD-ATGHGOICSA-N 368.521 5.354 30 1 FKEF COc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 40877559 OHQBRPBJOMAGLO-UHFFFAOYSA-N 354.413 5.162 30 1 FKEF COc1cc(/C=C2\CCC/C(=C\c3cccc(Cl)c3)C2=O)cc(OC)c1 95596941 QPQXKYPXOWABMC-BEQMOXJMSA-N 368.860 5.577 30 1 FKEF CCCCCC/C=C/c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099895 WZRPGBTYGBTMGK-DHZHZOJOSA-N 355.481 6.738 30 1 FKEF CCCCCCC[C@H](C[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)SC 587448946 NSXJREQDONZULU-FGTMMUONSA-N 362.535 5.293 30 1 FKEF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)CC[C@@H]1C(C)(C)S 587489889 FJQIDNMXQWUHSM-GIWSNZPPSA-N 362.535 5.193 30 1 FKEF CC(=O)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356647608 CIPWTUUCAJDQRQ-JFJOENPJSA-N 368.561 5.916 30 1 FKEF C=C(C)[C@H]1CC[C@H](C)C[C@@H]1c1c(O)cc(-c2cc3ccccc3o2)cc1O 14584433 UPLNMKNMLLBKKI-IPELMVKDSA-N 362.469 6.607 30 1 FKEF CC(C)c1ccc(N/C(=N\O)c2ccnc(Oc3cccc(F)c3)c2)cc1 72101813 IUVAORTXPUZBSB-UHFFFAOYSA-N 365.408 5.384 30 1 FKEF C[C@H]1CC[C@H](C)N1/C(=N\O)c1ccc(Oc2cccc3ccccc23)nc1 72186035 HUBSYVJMOHFWOV-GJWAYKALSA-N 361.445 5.036 30 1 FKEF C[C@H](C=O)CCCCC[C@H](CCCC/C=C/C(=O)O)Cc1ccc(O)cc1 85510558 DEJPFGMDFBDYBL-RIZQAGQYSA-N 374.521 5.538 30 1 FKEF biogenic,in-vitro C#Cc1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 586880537 NQFJVOFRYJVNSE-UHFFFAOYSA-N 354.253 5.249 30 1 FKEF CCCCCCCCCCC[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587491257 VHGRXAZQQZXJDX-DEOSSOPVSA-N 374.565 6.990 30 1 FKEF C=CCOc1ccc(OCC=C)n1-c1cccc(-c2cccc(OC)c2)c1 587926789 OBICZOLJUIAGDU-UHFFFAOYSA-N 361.441 5.283 30 1 FKEF Cc1cccc(C#N)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 1493886 APEZAWGOFKUHCA-JOCHJYFZSA-N 350.465 5.286 30 1 FKEF CCCCCCCCCCCC(=O)CCOc1ccc(C(=O)OC)cc1 169340463 JHGLIAUSINECPD-UHFFFAOYSA-N 362.510 5.732 30 1 FKEF C#CC[n+]1c(C#C[Si](C(C)C)(C(C)C)C(C)C)sc2ccccc21 196684796 WRAKWIQCFNGQRI-UHFFFAOYSA-N 354.615 5.392 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C[C@@H](c4ccccc4)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 253851986 LVJHBULIPHDPOH-RLBPEOPASA-N 362.513 5.481 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(COc4cccc(OC)c4)cc3)nc12 587780713 GJVHTGRUXLPTII-UHFFFAOYSA-N 370.452 5.546 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3ccc(OC(F)(F)F)cc3)C2)cc1 36382238 XJEUBXWDZOEEFQ-OAHLLOKOSA-N 362.347 5.124 30 3 FKEF COc1ccc(Cl)cc1/N=C/C1=C(O)C[C@H](c2ccccc2)CC1=O 18143674 VLPUOJWOYJYHJO-OFJBCHTGSA-N 355.821 5.010 30 1 FKEF C=C[C@@H](C)CC[C@@H](C[C@H]1O[C@]1(C)CCC=C(C)C)C(=C)CCCC(C)C 102191531 DFYPQSCRXJHGDF-RVFVQDDPSA-N 360.626 7.881 30 1 FKEF CCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C 140898834 MVFQTGOUWUSVET-UHFFFAOYSA-N 369.617 6.833 30 1 FKEF C[C@@H]1/C(=N\OCc2ccccc2)C[C@H](c2ccccc2)O[C@H]1c1ccccc1 195358757 DAMINAFEYWJFDP-XBEQEVETSA-N 371.480 6.098 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@@](C)(COC(=O)CC(=O)O)CCC[C@]23C)C1 238766614 ADRMEPMWXLEIKU-QZWSAVPRSA-N 374.521 5.140 30 1 FKEF CCCCCCCc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587099909 XKWZWQMMZMACAX-UHFFFAOYSA-N 357.497 6.576 30 1 FKEF C=CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc([C@H](C)CC)cc12 587642614 ORBRANOPUJXUFX-CQSZACIVSA-N 357.419 7.096 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(Nc2ccc(OC)cc2)cc1)CCC=C(C)C 653719132 YZILEKGFBOVOSW-NYDUFTCHSA-N 361.529 7.391 30 1 FKEF N#Cc1c(/N=C/c2c[nH]c3cccc([N+](=O)[O-])c23)sc2c1CCCCC2 653861151 NUDBIVLLDMBRSE-SSDVNMTOSA-N 364.430 5.029 30 1 FKEF N#C[C@@H](c1nc(-c2ccc(Cl)cc2)cs1)N1CCc2ccccc2C1 1857597534 XQWYKOQCXCDPFA-IBGZPJMESA-N 365.889 5.086 30 1 FKEF C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](c3csc(N)n3)CC[C@H]12 254012044 LBSHCMQCZQSXKN-OLOCUOQDSA-N 370.562 5.341 30 3 FKEF CCCCCCC[C@@H]1CC[C@@H](OCCCn2c(C)nc3cnccc32)O1 14263322 FMQIRPQLYMBXFC-NQIIRXRSSA-N 359.514 5.012 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@H](Cc1ccccc1)c1ccc(Cl)cc1)C2 299811291 DYSNSNPTBCOPJB-FDFHNCONSA-N 368.908 5.253 30 1 FKEF C=C(C)[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(OC)CC[C@@]21C)CC 2356400467 ABMLEQSWYRYDQS-QDLWIFSOSA-N 358.522 5.433 30 1 FKEF C=C1C[C@]2(CCC3(CCCC3)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@@H]1[C@H]23 2356768556 RLZPIHCBWILNHW-KMPPQPTHSA-N 354.578 6.667 30 1 FKEF c1ccc(/N=C2\c3ccsc3/C(=N/c3ccccc3)c3ccsc32)cc1 17253203 SWVMSZWCAUYRDW-BLVCXSLXSA-N 370.502 6.461 30 1 FKEF CCCC[C@@H](CCC=O)CCCCCCCc1ccc(CC(=O)OC)o1 38824956 CZTVQWDSMYFZBS-LJQANCHMSA-N 364.526 5.664 30 1 FKEF biogenic Cc1ccc(/C=C2\CCC[C@H]([C@@H](NO)c3ccc(C)cc3)\C2=N\O)cc1 102934956 HWQOPKDWYTZYLY-YOWMZGJXSA-N 350.462 5.037 30 1 FKEF CCCCCCCCCCCCCC(=O)c1coc2cc(C#N)ccc12 587279479 WBSMBKQLYFAATA-UHFFFAOYSA-N 353.506 7.188 30 1 FKEF CC(C)CCCCCCCCCCCCC(O)=C1C(=O)CN(C)C1=O 2356396986 CPMHESKNPLZJEM-UHFFFAOYSA-N 351.531 5.177 30 1 FKEF C=C(C)[C@@H]1CC[C@](C)(OC(=O)C=Cc2ccccc2)[C@@H]2CC=C(C)[C@@H]2C1 2356413255 UIUPDHGXUGRZTO-GBAAUQCPSA-N 350.502 5.960 30 1 FKEF CC=C1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@]35CC[C@@]12C 2356531437 YYXCNUVITXXGGX-JFBJCANZSA-N 369.593 5.523 30 1 FKEF CCCCCCCCC#CCCCCCCCCC[C@@H](O)C#CC#CCO 86040219 NAFRNAIZQXKTNS-RUZDIDTESA-N 372.593 5.611 30 1 FKEF biogenic CCCC/C=C/CC/C=C/CCCCCCCCCCCCCCCC 169622735 AJJBRVBMTUFOOA-QNBOAHBYSA-N 362.686 9.941 30 1 FKEF C=CCc1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587123598 DZBMURIDQFYKDO-XFXZXTDPSA-N 360.404 6.074 30 1 FKEF CC(C)c1cc(C(C)C)c(C(=O)c2coc3cc(C#N)ccc23)c(C(C)C)c1 587278762 KPXIOPYMXXJDLY-UHFFFAOYSA-N 373.496 6.906 30 1 FKEF C=C(C)[C@H]1CC=C(C)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc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c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 101980359 VTOAEHWHEKFQCU-IEHNIMGDSA-N 370.443 5.159 30 1 FKEF CCCCCCCCCCCCCCCCCCOC(=O)CCCC 143242310 VPKUWBRGYWLQAA-UHFFFAOYSA-N 354.619 7.981 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C(C(=O)O)[C@H](C)[C@H]3CC[C@@]12C 2356501395 YGVKQUJGWNEGIG-GJJNVWTPSA-N 370.577 6.789 30 1 FKEF C=CCC[C@H](C)C(=O)[C@H](C)C[C@@H](C)NC(=O)CCC/C(=C/Cl)CCC 49033682 MTSIKQYOKFAJKC-FSYKZOTGSA-N 369.977 5.782 30 1 FKEF C=C1CC[C@H]2/C(=C\c3cccc(C(F)(F)F)c3)C(=O)O[C@@H]2[C@H]2C(=C)CC[C@@H]12 103160676 XKQAZHWVYJUCEG-SIUFDGTASA-N 374.402 5.563 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(C#N)c2c1 587643804 XELUJBDYGAUGPS-KRWDZBQOSA-N 350.465 6.887 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2ccccc2F)cc1 587916358 IHYLOINZQJFQFI-UHFFFAOYSA-N 364.803 5.119 30 1 FKEF CCC[C@H](C)O/N=C(\C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 1857766811 JVMFOJRWOSFHAK-WDZGRIPHSA-N 371.521 5.932 30 1 FKEF CC1=C(/C=C/C(=O)/C=C/c2cccc(C(F)(F)F)c2)C(C)(C)CC[C@@H]1O 40379363 NGYSCCRFBHZQTN-LODRTLNFSA-N 364.407 5.341 30 1 FKEF CCCCCCCC(=O)c1ccc(O)c(-c2nc3cc(Cl)ccc3[nH]2)c1 43226827 CGJNGDJDLLKYSE-UHFFFAOYSA-N 370.880 6.132 30 1 FKEF CCCCCCCCCCCCOc1ccc2cc(C(=O)NO)ccc2c1 43411443 ZXQAYBNJVKQZOX-UHFFFAOYSA-N 371.521 6.259 30 1 FKEF CCCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO 62624687 XEDQAKSTEWMQIR-KHPPLWFESA-N 370.574 5.310 30 1 FKEF in-vitro CCCCCCCC/C=C\CCCCCCC/C=C/[C@@H](O)C#CC#CCO 86040147 OQJJHNNWSRRUMI-VUWBONDSSA-N 372.593 5.940 30 1 FKEF CCCCCCCCCCCCCCCCCC[C@H](C)CCCCCC 138474909 YKKOYNFAGCZEMQ-AREMUKBSSA-N 366.718 10.245 30 1 FKEF C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H](C/C(C)=C/CC[C@@]3(C)OC(=O)CCC)[C@@H]12 238737402 LKOJWHNRHCEXFU-XHBBEEEWSA-N 374.565 5.841 30 1 FKEF CCCCCCCCc1ccc(C#Cc2cc(Cl)ccc2OC)s1 587920311 CVYWXKWXCFMLDI-UHFFFAOYSA-N 360.950 6.713 30 1 FKEF O=Cc1ccc(C(=O)CCC/C=C\CCCCCCCCCC/C=N\O)[nH]1 14611581 WLASJVZSTAYOLT-MPYBJKCJSA-N 374.525 6.097 30 1 FKEF CCc1ccc(/C=C/C(=O)c2c(O)cccc2OCC2CCCCC2)cc1 28640331 ISMBJIARGQNLRV-FOCLMDBBSA-N 364.485 5.810 30 1 FKEF CCOc1ccc2c(c1)C=C/C(=C/C=C1/C=C(C)c3cccnc3C1=O)N2C 38178541 VWLPEJSPURQONM-IECKAUOHSA-N 370.452 5.053 30 1 FKEF CCCCCCC[C@H](c1ccc(C(=O)O)cc1)c1ccccc1C(=O)O 238761102 ZRMYNPFZLAUWHS-GOSISDBHSA-N 354.446 5.575 30 1 FKEF CCC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1C(F)(F)F 587913729 DWTSFJOHBLFDCE-UHFFFAOYSA-N 366.766 5.360 30 1 FKEF C=CCC(C)(C)[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952468 IHAUOCKZYJXOLH-KRWDZBQOSA-N 353.428 5.000 30 1 FKEF CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@]35CC[C@@]12C 2356455620 BCMOWDMOMYVIPH-OXMWOASESA-N 355.566 5.262 30 1 FKEF C=C[C@](C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356476855 QWGVDDMJQKJIOI-VWLOTQADSA-N 358.610 7.849 30 1 FKEF CCCCCCCCC=CCCCCCc1cc(=O)c2ccccc2n1C 2356489072 IQBLVLZFKVROKG-UHFFFAOYSA-N 367.577 6.948 30 1 FKEF CCCCCCCCCCCCCCNC(=O)Nc1ccc(F)cc1F 36349691 ALNUWXYOPWYLPA-UHFFFAOYSA-N 368.512 6.787 30 1 FKEF CCCCCCCC/C=C/CCCCCCCc1nc2c([nH]1)CCCC2 42889113 FBLIVAXTFYWHLZ-MDZDMXLPSA-N 358.614 7.478 30 1 FKEF CCCCCC/C=C\CCCCCCCCCc1cc(O)cc(OC)c1 238746433 AAKAGTMRUVKJKR-HJWRWDBZSA-N 360.582 7.591 30 1 FKEF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C#N)c1ccccc1Cl)CC2=O 587459919 FAIXQLBDFTXFGM-HRAATJIYSA-N 369.848 5.029 30 1 FKEF C=CCc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628925 VBGUWFXPGKGQDE-UHFFFAOYSA-N 364.645 6.118 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c2nc(Cl)ccc2c1 587909071 PGDVGAXDJOXXIU-UHFFFAOYSA-N 362.643 5.603 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(CN[C@]3(C)CCC[C@@H]3CCCO)=CC(C)=C2C1 2356427652 ILPMMOFUNUDHKX-WMMXXEOUSA-N 371.609 5.936 30 1 FKEF C=C[C@](C)(CCC=C(C)CCC=C(C)C)CC(=O)c1c(C)cccc1O 2356512020 UFLUYCOKQUZAAI-XMMPIXPASA-N 354.534 6.939 30 1 FKEF C=C1CC[C@H]([C@H](C)CCC=C(C)C(=O)O)[C@@H]2[C@@H]1CCC1=CCC[C@@]3(C)[C@@H]2[C@@H]13 2356588155 KAAGZIORAICENU-BPHUUDEHSA-N 368.561 6.399 30 1 FKEF CCCCCCCCCCCCOC(=O)c1cc(O)ccc1NC(C)=O 2356787611 BNFBIZMKKMYKKR-UHFFFAOYSA-N 363.498 5.428 30 1 FKEF CCCCCCCC/C=C\CCCCCCC[C@@H](O)Cc1ccccn1 2382228415 ZRPANKJZTNYGCN-OPSAWKISSA-N 359.598 7.023 30 1 FKEF C=CCSCC1=CC(C)(C)Nc2ccc(-c3cccc(OC)c3)cc21 14968693 QEYIPZOJYLGUHY-UHFFFAOYSA-N 351.515 5.869 30 1 FKEF COc1ccc2nc3sc(/C(O)=N/c4ccc(F)cc4)cc3cc2c1 34860439 KLHHERHYWICEGF-UHFFFAOYSA-N 352.390 5.234 30 1 FKEF CCC1=C(O)c2c(oc(-c3cc(C)ccc3F)cc2=O)C(CC)(CC)C1=O 101616571 VYUSMBHHZXNYDO-UHFFFAOYSA-N 370.420 5.074 30 1 FKEF N#C[C@H](C(=N)Sc1ccccc1N)c1cccc(Cc2ccccc2)c1 169718062 KASDDBGIEJNPBO-IBGZPJMESA-N 357.482 5.236 30 1 FKEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587191754 XCZJIQCQSZSCAA-OAHLLOKOSA-N 371.465 5.726 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(Cl)c(C(F)(F)F)c1 587913794 HYWKACFEPSLREN-UHFFFAOYSA-N 359.174 5.615 30 1 FKEF CC1=CC(C)(C)Nc2ccc(Cc3ccc4c(c3)[C@]3(C)O[C@@H]3C(C)(C)N4)cc21 2356539429 NYOWOQUEQHRHDZ-RDGATRHJSA-N 374.528 5.703 30 1 FKEF CCCCCCC=CCCCCCCCCC[C@@]1(O)C=CC(=O)[C@@H](O)C1 2356687451 QGMORWLDWJPVQC-XZOQPEGZSA-N 364.570 5.645 30 1 FKEF Oc1ccc(/C(Cc2ccc(F)cc2)=N\c2ccc(Cl)cc2)cc1O 49089837 OUGMOCFSRDPMDX-NKFKGCMQSA-N 355.796 5.254 30 1 FKEF CCCCCCCCCCCCCC(=O)NC[C@@H](O)c1cccc(C)c1 95577173 IKKWHHBZYHJFLK-JOCHJYFZSA-N 361.570 5.846 30 1 FKEF CCCCCCCCCCCC[S@](=O)C1=CC(=O)c2ccccc2C1=O 95586541 XVDFDLYQHVNNMK-AREMUKBSSA-N 374.546 5.619 30 1 FKEF CCCCCCCCCC/C=C/[S@@](=O)c1cc(O)c2ccccc2c1O 169729645 RNWZBETUPWGQTL-CPAAIMDTSA-N 374.546 6.403 30 1 FKEF Cc1onc(-c2ccccc2Cl)c1C(=O)c1coc2cc(C#N)ccc12 587278334 OVKVXSNMRGRTEU-UHFFFAOYSA-N 362.772 5.152 30 1 FKEF Cc1ccc(/C=C/C(=N/Nc2nc(C)cs2)c2nc3ccccc3[nH]2)cc1 1857584697 JOIRCBMWHZGTPX-WOOLUMCFSA-N 373.485 5.166 30 1 FKEF CC=C1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356436342 IXSGXUXGUNZCPE-CRDHFAFISA-N 358.522 5.086 30 1 FKEF O=C1/C(=C/c2ccc(Cl)cc2)CCC/C1=C\c1ccccc1[N+](=O)[O-] 40973947 ROZIVKIHAFMLOJ-UNZYHPAISA-N 353.805 5.468 30 1 FKEF c1ccc(CON=C2C[C@@H](c3ccccc3)S[C@@H](c3ccccc3)C2)cc1 43019975 OOCRJFRTLQORLS-PSWAGMNNSA-N 373.521 6.569 30 1 FKEF C=CCc1cc(/C=C/C(=O)/C=C/c2ccc(C(F)(F)F)cc2)ccc1OC 103267872 IAGKBJZWSQPVNU-INOXDZRUSA-N 372.386 5.738 30 1 FKEF CS/C(=N\c1cc(Cl)ccc1Cl)[C@@H](C#N)C(=O)c1ccco1 169691106 HJWLCQSMTQYYDR-JEBVNMNCSA-N 353.230 5.002 30 1 FKEF CCOC(=O)c1ccc2cc(C(=O)/C=C/c3ccccc3Cl)sc2c1 198412078 FNPMEKONMQSKEB-MDZDMXLPSA-N 370.857 5.628 30 1 FKEF C=C(C)[C@@H]1CC=C(C)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989949 GTVPVYIHTLIVGT-AWEZNQCLSA-N 353.421 5.619 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600790 BMJQLIVUNKNKCK-XQIYRAAOSA-N 364.441 5.105 30 1 FKEF Oc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625150 ANBJSKDYSGJHHB-UHFFFAOYSA-N 363.232 5.717 30 1 FKEF C=CCc1cc([C@H]2NCCc3c2sc(C)c3C)cc(OC)c1OC(C)C 963032880 VPODYFHUJVOSAC-HXUWFJFHSA-N 371.546 5.124 30 1 FKEF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)C(O)=C(O)C1=O 1911573530 LDICHMLJMDMIKD-NCZFFCEISA-N 358.478 5.592 30 1 FKEF CC=CC1=CC2=CC(=O)[C@]3(C)O[C@@](CCCCCCC)(OC)C[C@@H]3C2=CO1 2356546104 ACLSAOLGJZSVPQ-YMPZKCBVSA-N 372.505 5.368 30 1 FKEF CC=C1[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356553768 KQTRIZLQZKQLOA-XJZBYQAASA-N 356.506 5.006 30 1 FKEF CCCCCCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1O 27546580 ZPCSCJSUTFXZCR-JLHYYAGUSA-N 354.446 5.125 30 1 FKEF C=C1OC(=O)/C(=C/CCCCCCCCCCCCCCCCC)[C@H]1O 49774927 SQZLNCJQWPKOOM-KGAYOUTBSA-N 364.570 6.606 30 1 FKEF CC[N@@+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 299846336 KVABVPFNUZZHGO-SVQFXEJZSA-N 359.537 5.294 30 1 FKEF N#Cc1cccc(Cl)c1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1 45257391 NXKYODFJUKWIBO-UHFFFAOYSA-N 355.828 5.868 30 1 FKEF Cc1cccc(Nc2nc(C)c(C(=O)/C=C/c3ccccc3Cl)s2)c1 64513512 SZZHQGAEJWOEJX-ZHACJKMWSA-N 368.889 6.053 30 1 FKEF CCCCCCCCCCCCCCCCCC[N+](C)(C)CCN(C)C 103233691 PUVHAFLEXISITQ-UHFFFAOYSA-N 369.702 6.886 30 1 FKEF CC/C(=C/c1nc2cc(C#N)cc(Br)c2[nH]1)c1ccc(C)cc1 587968918 WOMQKEJXUWHCBA-UVTDQMKNSA-N 366.262 5.456 30 1 FKEF N#Cc1ccc2ccc([C@@H](Nc3ccccc3)c3ccccc3)c(O)c2n1 653798373 FPNJMVXIUCNWPS-NRFANRHFSA-N 351.409 5.014 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1c(O)cccc1Cl 963194879 UOHOPLCIOQVZQI-OFNKIYASSA-N 374.871 5.258 30 1 FKEF C=C1C[C@H]2C3=CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 1772623088 OIHGWQLFBJHHQF-XAHYKELJSA-N 355.481 5.469 30 1 FKEF CSc1c(C(=O)c2cccc3ccccc23)c(N)c2ccccc2c1C#N 1857756468 NPNHTYFZIRQQEM-UHFFFAOYSA-N 368.461 5.400 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356554478 PHBLQXXYZFXKQX-CCVWCNBXSA-N 367.577 5.395 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](C)[C@]2(C)[C@@H]2[C@H]1C2(C)C)CCC1(CCCC1)[C@@H]3CO 2356657718 QWZTZQHELWPSSF-WZFOCFHISA-N 354.578 6.140 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(C34CC[C@H]5CC[C@H](CC3)C5(C)N4)=CC(C)=C2C1 2356777226 PQFMZJXBQQHCND-FGDIFJNOSA-N 365.605 6.716 30 1 FKEF C=CCn1c(O)c(/N=N\C(=S)Nc2cccc(C)c2)c2ccccc21 18203199 AEOCCSKJQVZLNC-DQRAZIAOSA-N 350.447 5.322 30 1 FKEF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C2C(=O)CCC2=O)C(C)(C)CCC1 27889294 LVCYXBNPMHAQIJ-HCMFYWEISA-N 364.529 6.376 30 1 FKEF C=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCCC)cc1OC2(C)C 29558133 URVMMMGKKYFPET-WOJBJXKFSA-N 370.577 7.251 30 1 FKEF CCCCCCCC/C=C\CCCCCCCc1cccc(OC)c1OC 238768134 DKFHLMFPIZLAHI-QXMHVHEDSA-N 374.609 7.894 30 1 FKEF C=CCCC=CC#CC#CCCCCCCCC[C@H]1C[C@@H](COC)OC1=O 2356416640 ATRXNBRPMCIVSA-GOTSBHOMSA-N 370.533 5.215 30 1 FKEF CCOC(=O)[C@@](C)(C#N)[C@@H](c1ccccc1OC)c1cccc2ccccc12 28865612 CBUZULIIAXHASW-VWNXMTODSA-N 373.452 5.073 30 1 FKEF CCCCCCCCNc1sc2c(C)c(O)c3ccccc3c2[n+]1C 43422706 COQJOGJIRUFYBC-UHFFFAOYSA-O 357.543 5.665 30 1 FKEF CCCCCCCCCCCCN1C(=O)[C@H](CC(=O)O)c2ccccc21 49881498 FXBQGXWQPVHXTL-LJQANCHMSA-N 359.510 5.512 30 1 FKEF COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(C)c2)cc1C 101041920 LEQOXDTUCLCKTH-OEHUVLJNSA-N 364.441 5.058 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C[C@H](c4ccccc4)C4=CC(=O)CC[C@]43C)[C@@H]1CCC2=O 253635440 LVJHBULIPHDPOH-TVKFVVNRSA-N 362.513 5.481 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C(c4ccccc4)=CC4=CC(=O)CC[C@]43C)[C@H]1CCC2=O 254088616 OPLIQEAVVVBVAF-BYWXWQNBSA-N 360.497 5.391 30 1 FKEF CCCc1ccc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587502953 GTCKXJWBDDIEKI-XMMPIXPASA-N 359.469 5.292 30 1 FKEF CCOC(=O)[C@H](F)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587626331 SWGGLZRRFOPJTD-LLVKDONJSA-N 371.252 5.088 30 1 FKEF CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCCCC(=O)OC 85580025 QWSZTLFFEPDHPO-PMACEKPBSA-N 358.563 5.143 30 1 FKEF biogenic C=C[C@]1(C)CC[C@@]2(O1)C(C)=C[C@H](OC(=O)CCC)[C@H]1C(C)(C)CCC[C@@]12C 85697515 CLTOAYZHYUUWJE-IUBQQYFBSA-N 374.565 5.985 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccccc1C)N[C@H]2c1ccccc1C 253733884 HVSOWXGRFNTGEQ-KUFOVGBCSA-N 362.517 5.498 30 1 FKEF C[C@@H]1/C(=N/N=C/c2ccco2)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 299847417 JDHQHTPTHOGYCV-DCXWIBNWSA-N 357.457 5.167 30 1 FKEF C[C@H](C#N)c1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587188303 PLCRTCLGTKZECU-SECBINFHSA-N 365.742 5.409 30 1 FKEF C=C1CC([C@@]2(C3CC3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)C1 962649520 XGZWZBNZOGSPEW-AHWVRZQESA-N 370.540 5.005 30 1 FKEF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@H]1c1cc2ccncc2o1 963205165 NJIQTCSOLZTCDA-XUZZJYLKSA-N 365.436 5.040 30 1 FKEF COc1ccc(-c2csc(N/N=C/CSc3ccccc3)n2)cc1 1857577494 NOYGHYWVYSXBLZ-YBFXNURJSA-N 355.488 5.009 30 1 FKEF C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)CC2)cc1O 13819852 ZAIIZDMGLNYKSN-NHCUHLMSSA-N 368.561 7.116 30 1 FKEF C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1Cl 28975193 DGVHUCBZBNSWSN-DHZHZOJOSA-N 356.849 5.414 30 1 FKEF Cc1cc2c(cc1C(=O)/C=C/c1cccc(C#N)c1)C(C)(C)CCC2(C)C 64560009 ZNBAFWVRCLEBNT-MDZDMXLPSA-N 357.497 6.112 30 1 FKEF CCCCCCCCCCC[C@H](Cc1cc(O)cc(O)c1)OC(C)=O 86002284 RTGVWTSNGMNSBW-OAQYLSRUSA-N 350.499 5.493 30 1 FKEF biogenic CCCCCCCOc1ccc(COc2cccc(O)c2C(=O)O)cc1 103244750 LRRWIVIGRVQURY-UHFFFAOYSA-N 358.434 5.019 30 1 FKEF CCc1ccc(-c2nc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)cs2)cc1 587015571 QMEUOMOCZCQLRU-UHFFFAOYSA-N 364.861 5.441 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)ccc1OCc1ccccc1 587900001 IRMGDSVGDYUIOO-UHFFFAOYSA-N 362.856 5.636 30 1 FKEF CCCCCCCCCC[C@]1(C)NCCc2cc3cccc(OC)c3nc21 963062535 FAKLZDUUYAPJKU-DEOSSOPVSA-N 368.565 6.135 30 1 FKEF CC(=CC(=O)c1cc(O)cc2c1C[C@@H](c1ccccc1)O2)c1ccccc1 2356595370 DWLVEVYKWBKSNV-QHCPKHFHSA-N 356.421 5.355 30 1 FKEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)OC3=CC(=O)C(O)=C(Cl)C3=C[C@@H]12 14683890 IVURSJNKOFPQMR-IMAQQZIHSA-N 362.897 5.419 30 1 FKEF biogenic C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OCC)cc21 28571239 QUQXULREKFFAKM-UHFFFAOYSA-N 365.542 6.259 30 1 FKEF CC1(C)CCc2c(c3ccccc3c3nc(-c4cccc(C#N)c4)oc23)O1 95573808 QDPDTYUJCAVOQP-UHFFFAOYSA-N 354.409 5.623 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H]1[C@H](CC#N)C1(C)C 587626340 SMNUKRHZYADCQZ-ZUZCIYMTSA-N 374.328 6.167 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Br)cc2ncccc12 587911099 IBDRKHRPHUNLFF-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF Cc1cccc(-c2nn3c(c2-c2ccc(O)cc2)[C@H](C)C(C)(C)C3)c1C#N 1857765005 PHXSLQUXNZUSIU-HNNXBMFYSA-N 357.457 5.246 30 1 FKEF CCCCCCC=CC[C@@H](CCC(C)C)C[C@H](CCCC(=O)O)CNC 2356353536 PYWWKUDSWNSNSL-VXKWHMMOSA-N 367.618 6.436 30 1 FKEF CSC(=S)N1CC(C)(C)CS/C1=N\c1cccc(C(C)C)c1 28948329 GYWDOIWQFJCHJZ-SDXDJHTJSA-N 352.594 5.520 30 1 FKEF C=C(C)[C@@H]1CCC2=CC(/C(C)=C\C=C\C(C)=C\C(=O)O)=CC[C@]2(C)[C@H]1C 71319076 UFMVIQBZDMJIDZ-VBWXPERGSA-N 352.518 6.405 30 1 FKEF Cc1ccc(/C=C/C(=O)c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)cc1 73196509 SXAWFLRALHWGNN-CXUHLZMHSA-N 370.452 5.844 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 102023412 LITALIXFZJINEA-IEHNIMGDSA-N 370.443 5.159 30 1 FKEF N#Cc1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587040860 SQNUWNQIEIUMEJ-UHFFFAOYSA-N 368.465 5.280 30 1 FKEF C=CCc1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784096 LAOMXMKTNJBRNP-SAPNQHFASA-N 366.464 6.041 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)CCC21SCCS1 587920733 LXBMGKHBHOEWQQ-UHFFFAOYSA-N 372.942 5.327 30 1 FKEF N#C[C@@H](C(=O)O)C(c1cccc2ccccc12)c1cccc2ccccc12 28865390 XZJITJXRWJIFRG-JOCHJYFZSA-N 351.405 5.349 30 1 FKEF CCOC(=O)c1sc(SC)c(C#N)c1-c1ccc(C(C)(C)C)cc1 40764326 ITBKXYIQENUVSN-UHFFFAOYSA-N 359.516 5.483 30 1 FKEF C=CC[n+]1cn([C@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21 95586317 PNUNMLCZSXZJAA-RUZDIDTESA-N 365.456 5.499 30 1 FKEF CCCCCCCCCCCC(=O)N(C)Cc1cc(OC)ccc1OC 103280805 UACHIWHDXQKZAK-UHFFFAOYSA-N 363.542 5.583 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587067029 KXXADADAYPWDCH-UHFFFAOYSA-N 369.173 5.597 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(Cl)cc2)cc1 587906354 BKTYAKAGXSWYID-UHFFFAOYSA-N 353.248 6.069 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2ccc3cccc4ccc1c2c34 587911447 HWDJCEVGSUWUOX-UHFFFAOYSA-N 366.847 6.646 30 1 FKEF CCCCCCCCCCCCCCC[C@@H]1OC(=O)C(C)=C1C(=O)O 1772589934 SYVOXIHVISVSED-SFHVURJKSA-N 352.515 5.794 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@@]2(C)C(C(C)=O)=CC[C@]2(C)[C@@H]4CC[C@@H]13 2356554480 PHBLQXXYZFXKQX-LECAHFCESA-N 367.577 5.395 30 1 FKEF O=C(C=Cc1csc(-c2ccccc2)n1)c1ccccc1Br 2356725256 BDTNJRXYKAAFSV-UHFFFAOYSA-N 370.271 5.469 30 1 FKEF CC1(C)CCC[C@]2(C)[C@H]3C=C4C(=CC(=O)C(O)=C4Cl)O[C@@H]3CC[C@@]12C 27656852 HXKJEPAKJQIAJD-RLFQAHFZSA-N 362.897 5.419 30 1 FKEF CCOC1=C(SCc2c(C)cc(C)cc2C)C(=O)c2ccccc2C1=O 73140478 YHMJEKRFAJKLJT-UHFFFAOYSA-N 366.482 5.172 30 1 FKEF CCCCCCCCCCCCCc1cc(=O)c2cccc(OC)c2n1C 86002319 FPTCHUGUEODMFN-UHFFFAOYSA-N 371.565 6.401 30 1 FKEF biogenic N#Cc1ccc2c([C@@H](C[N+](=O)[O-])c3cccs3)c(-c3ccccc3)[nH]c2c1 1857578395 HBOPEEJOMPTPGH-KRWDZBQOSA-N 373.437 5.177 30 1 FKEF CCC/C(=N\c1ccccc1OC)C1=C(O)C[C@@H](c2ccccc2)CC1=O 17746977 JHVOKYGOOLRRTD-BXBKDCBCSA-N 363.457 5.527 30 1 FKEF CCCCCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 36294768 IDICPTJZTJUWIB-NHCUHLMSSA-N 366.545 6.519 30 1 FKEF COc1ccc(Sc2ccc(NC(=O)c3ccc(C)cc3)cc2C#N)cc1 95771658 SNXVNVLZXZCVLT-UHFFFAOYSA-N 374.465 5.279 30 1 FKEF COC1=CC(=O)C(=O)C(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C1OC 299857266 FCOJGSRVKDNHCF-OUBUNXTGSA-N 372.505 5.378 30 1 FKEF C=CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 1911575781 BWYCBFPRZDYELZ-BOPJXXHASA-N 358.522 5.086 30 1 FKEF CCC1=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCC=C(C)C)O[C@@H]2[C@@H]1O 2356332346 BMDMRPRGJZSKOI-ZLNRFVROSA-N 358.522 5.213 30 1 FKEF C=C1[C@H](C)CCC[C@]1(C)CCC(C)=CCC1=C(OC)C(=O)C=C(OC)C1=O 2356471849 AZBHZNBFRZPJFT-WAIKUNEKSA-N 372.505 5.068 30 1 FKEF CC(C)[C@@H]1C=C(c2ccccc2)c2ccccc2[C@@H]1C(C#N)(C#N)C(C)C 6425763 WQTAIWKVOYFEAW-UPVQGACJSA-N 354.497 6.177 30 1 FKEF CN(CC#CCCC1SCCCS1)Cc1cccc2ccccc12 13821703 GIJOGAAMVKXNNE-UHFFFAOYSA-N 355.572 5.251 30 1 FKEF CCCCCCCCC[C@@]1(C)c2ccsc2CCN1Cc1cccn1C 962372827 JXTNAVSUMKKTJX-QHCPKHFHSA-N 372.622 6.501 30 1 FKEF C=C(C)[C@@H]1CC[C@]23CC=C[C@@H]4[C@@H](C5(O)CCCC5)CC[C@]42C=CC(C)=C3C1 2356461889 XUJLIAWNZDUSTJ-FQFZUICKSA-N 364.573 6.513 30 1 FKEF CC1(C)C(=O)C(=Cc2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@](C)(CC[C@H]21)C3 2356744746 GTBFQOGSRWBGDY-PLDGYBJXSA-N 374.568 6.848 30 1 FKEF CC1(C)O[C@@H](c2cccs2)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21 13439612 JVSPQULNYQNSBE-FQEVSTJZSA-N 364.445 5.802 30 1 FKEF CC(C)/C(=N\O)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1 28760006 OJZYIDCFQJENJI-XTQSDGFTSA-N 373.493 5.705 30 1 FKEF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(O)=C(Cl)C3=C[C@@H]12 34065492 IVURSJNKOFPQMR-GQSCTRQFSA-N 362.897 5.419 30 1 FKEF in-vivo COc1ccc(C(=O)/C=C/C=C(\Cl)c2ccc(Cl)cc2)c(OC)c1 45356636 OYZBPAGJWSINBM-PJXRBBBZSA-N 363.240 5.376 30 1 FKEF CCC[C@]1(c2ccccc2)CC(=O)C(SCCc2ccccc2)=C(O)O1 100901328 QPNOGUPAZQJISU-JOCHJYFZSA-N 368.498 5.374 30 1 FKEF O=C1CCCC2=C1[C@H]1O[C@@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 102851216 FOXNCLKAQGPSAN-XZOQPEGZSA-N 374.461 5.405 30 1 FKEF C[C@H]1CCc2sc(-c3nc4cc(C(F)(F)F)c(C#N)cc4[nH]3)cc2C1 587032764 AGJHFHWQOAHPQP-VIFPVBQESA-N 361.392 5.307 30 1 FKEF C=CCCO[C@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366548 VMAHLOXVEHTPKR-FQEVSTJZSA-N 371.436 5.847 30 1 FKEF N#CCCC[C@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963105440 QMJBSOJSMJSWRX-IRLDBZIGSA-N 368.883 5.437 30 1 FKEF N#Cc1cccc(NC(=O)O[C@H]2CCC23CCC(c2ccccc2)CC3)c1 96019219 JAZQMPKMFQGAOC-SWCONJRYSA-N 360.457 5.613 30 3 FKEF Cc1occc1/C(S)=N/c1ccc(Cl)c(CNOC(C)(C)C)c1 3833862 IGZAHQGCPJZDCE-UHFFFAOYSA-N 352.887 5.069 30 1 FKEF CCCCCC/C=C\CCCCCCCCC[C@]1(O)C=CC(=O)[C@@H](O)C1 42835653 QGMORWLDWJPVQC-CHXUTICSSA-N 364.570 5.645 30 1 FKEF biogenic,in-vitro C[C@H](C=O)CCCCCC[C@H](CCC/C=C/C(=O)O)Cc1ccccc1 85510605 QFHJXWNOPQMWPO-RZGBZVGDSA-N 358.522 5.832 30 1 FKEF biogenic,in-vitro CCCCCCC/C=C/C1=C[C@@]2(C)C[C@@]1(C)[C@H](CCCCCCC)CC2=O 102373894 MJBOCEQQHSSWGQ-KGSMTWKQSA-N 372.637 8.195 30 1 FKEF CCCCCCCCn1c2c(c3cc(-c4cccc(C)c4)ccc31)CNCC2 225252497 PYYMOHVDPVXAME-UHFFFAOYSA-N 374.572 6.623 30 1 FKEF N#Cc1ccccc1SC1=C(O)C[C@H](c2ccccc2Cl)CC1=O 299825767 FRDPBKSHBPITEB-ZDUSSCGKSA-N 355.846 5.220 30 1 FKEF CCCCc1nc(-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)no1 587906472 HDRWUYMSBVQBQP-UHFFFAOYSA-N 366.848 5.141 30 1 FKEF C=C(C)[C@@H]1C[C@@H](c2c(O)cc(O)c(C(=O)c3ccccc3)c2O)C(C)(C)C1 14635945 BJMZANGURMWXHW-CVEARBPZSA-N 366.457 5.130 30 1 FKEF biogenic Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(C(F)(F)F)c2)n1 29125486 GSJOCESXZQRMTF-UHFFFAOYSA-N 368.280 5.080 30 1 FKEF CCOC(=O)c1ccc2sc(C(=O)/C=C/c3ccccc3Cl)cc2c1 49111166 IWYXMSPQCKIDNL-VQHVLOKHSA-N 370.857 5.628 30 1 FKEF C=C(C)[C@@H]1CC[C@@]23CC=C[C@@H]4[C@@H](C5(O)CCCC5)CC[C@]42C=CC(C)=C3C1 85550127 XUJLIAWNZDUSTJ-NBZDVZLHSA-N 364.573 6.513 30 1 FKEF biogenic,in-vitro CC(C)(C)c1ccccc1SC/C(=N\O)c1cc(Cl)sc1Cl 95578063 INUBLKWQGAISCA-XDHOZWIPSA-N 374.358 6.323 30 1 FKEF CCCCCCC[C@@H](C)CCCCCCCCCCC[C@@H](C)CC(=O)O 102181332 OIQLVWBPMHLONE-DHIUTWEWSA-N 368.646 8.385 30 1 FKEF CCCCCCC[C@@H](C)CCCCCCCCCCC[C@H](C)CC(=O)O 102181338 OIQLVWBPMHLONE-PKTZIBPZSA-N 368.646 8.385 30 1 FKEF C=CCCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587101342 SGKVNECMCPQTPE-UHFFFAOYSA-N 369.508 6.824 30 1 FKEF CCCCCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817371 BIPXOOKXWUZDMK-WMLDXEAASA-N 370.350 6.304 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Cl)cc(C(F)(F)F)n1 587914553 JHVOUXZVSZTVJX-UHFFFAOYSA-N 360.162 5.010 30 1 FKEF C=C1CC([C@@]2(C3CC3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)C1 962649528 XGZWZBNZOGSPEW-RSXGOPAZSA-N 370.540 5.005 30 1 FKEF Cn1ccc2ccc(/C=C3\CCc4ccc(Br)cc4C3=O)cc21 1772582997 WFIIWWDZRARXFJ-MHWRWJLKSA-N 366.258 5.153 30 1 FKEF CCCCCCCCC=CCCCCCCCC(=O)NCc1cccnc1 2356337439 ZAHBDLONEIBKSF-UHFFFAOYSA-N 372.597 6.735 30 1 FKEF CCCCCCCO/N=C1/CCCCCCCCCCC(=O)OCCC1 103222569 IXXXABVLZGNTAD-LNVKXUELSA-N 367.574 6.567 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(OCc2ccccc2)cc1 587899002 WRGPMYZYBDLLAH-UHFFFAOYSA-N 362.856 5.522 30 1 FKEF Cc1nc2ccccc2c(-c2ccc(C#N)cc2)c1[C@H](OC(C)(C)C)C(=O)O 1857648800 UZTANZHBBDPZDG-NRFANRHFSA-N 374.440 5.023 30 1 FKEF Cc1ccc(C(C)C)c(Oc2cc(/C(=N/O)N3[C@H](C)CC[C@H]3C)ccn2)c1 72102943 HROFHXFYUWJJKT-RSUKXSQWSA-N 367.493 5.314 30 1 FKEF CCCCCCC[C@@H](O)CCCCCCCCCC(=O)OCCCC 85885679 KGAJSPXMBOYURV-OAQYLSRUSA-N 356.591 6.562 30 1 FKEF biogenic C=CCc1cccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587077046 PYYZRWZYBOCVLV-UHFFFAOYSA-N 361.832 5.379 30 1 FKEF C=CCn1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c2ccccc21 587475322 MEDQLDATGGOKJX-JOCHJYFZSA-N 361.441 5.192 30 1 FKEF O=C(c1c(C(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C1CC1 587626424 UOJOPEGOGLTRNN-UHFFFAOYSA-N 371.227 5.736 30 1 FKEF CCn1c2ccccc2c2cc(C#Cc3cc(Cl)ccc3OC)ccc21 587909359 ULNWBMYUSFNBCC-UHFFFAOYSA-N 359.856 5.876 30 1 FKEF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@]5(CC[C@@]43C)CO5)[C@@H]1CC=C2c1cccnc1 1772639933 FABONGUPFNAOSV-GRVDSYKYSA-N 363.545 5.887 30 1 FKEF CCCCC=CCOC[C@H](O)COC(=O)CCCCCCCCCC 2356579510 AQZFORIMCWMRNP-FQEVSTJZSA-N 356.547 5.184 30 1 FKEF CCCCCCCCC=CCCCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@@H]1O 2356625610 SNHBFKBOZVBFIT-FKBYEOEOSA-N 366.586 6.336 30 1 FKEF C=C1CCC[C@]2(C)C=C3C(=C(C)C(=O)N3CCc3c[nH]c4ccccc34)C[C@H]12 2356806212 VPKBMSCUUZHADP-PXDATVDWSA-N 372.512 5.519 30 1 FKEF O=C1C=C(c2ccc(-c3ccccc3)cc2)C[C@@H](c2ccc3c(c2)OCO3)C1 36382246 KWKGGUUEMIYZJI-JOCHJYFZSA-N 368.432 5.612 30 3 FKEF CC(C)(C)c1nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc1C#N 13588540 LUYIIJRYDDCNSD-UHFFFAOYSA-N 369.277 5.263 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587066950 JMLXBURAUWTABE-UHFFFAOYSA-N 368.827 5.021 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)C(F)(F)F)cc1 587912312 FANDTIMENCWTHM-UHFFFAOYSA-N 360.709 5.403 30 1 FKEF CCC/C(C#Cc1ccsc1)=C1/c2ccccc2C(=O)N1c1ccccc1 61969084 GUTOGDLQHGZYDI-FCDQGJHFSA-N 369.489 5.971 30 3 FKEF CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2c1ccc(O)cc1 143316421 HFFNUYVHXYPZSW-QFIPXVFZSA-N 370.448 5.713 30 1 FKEF CCCCCCC[C@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587404849 RYASOGQORFVWJK-HSZRJFAPSA-N 367.489 5.504 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@]3(C[C@]12C)[C@H](C)CC[C@H]1C(C)(C)C(=O)CC[C@]13C 2356631486 DPFQPNJTINPILZ-JAOIUFQGSA-N 370.533 5.396 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](CO)OC(=O)CCCC 238741973 GSLIWVSCGYAKEW-JOCHJYFZSA-N 370.618 6.952 30 1 FKEF CCC1=CC2=CC[C@@]34C[C@]35CC[C@H](NC)C(C)(C)[C@@H]5CC[C@H]4[C@]2(C)CC1=O 1857602943 DGJULSNAVGYTST-PAZOTRHDSA-N 367.577 5.443 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@]3(C[C@]12C)[C@H](C)CC[C@@H]1C(C)(C)[C@@H](O)CC[C@]13C 2356334959 QSKNABACZZQUJZ-HNOOBHCNSA-N 372.549 5.188 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(CN[C@@]3(C)CCC4(CCCC4)C3)=CC(C)=C2C1 2356374770 FRBUDINKNCDAJQ-GPXOXTDOSA-N 367.621 7.108 30 1 FKEF C=CCS[C@@H](C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 14968726 GWXSFBMSMRCBDS-INIZCTEOSA-N 365.542 6.257 30 1 FKEF CCCCCCCCCCCCCCC[C@@]1(C)SC(O)=C(C)C1=O 101032927 JUGOIXZLLAPLOQ-OAQYLSRUSA-N 354.600 7.332 30 1 FKEF Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2[C@@H](C)CCC[C@@H]2C)c(C)c1 101828605 PXEOHFPZMACPBL-SIYQDOFTSA-N 367.493 5.198 30 1 FKEF CCC1=C(O)c2c(oc(-c3cc(C)ccc3C)cc2=O)C(CC)(CC)C1=O 101975832 ZUDKXVCVYAKMIH-UHFFFAOYSA-N 366.457 5.243 30 1 FKEF CCCCCCC/C=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821584 VXKQRVZNDIVMFM-ZTPYXFOFSA-N 368.334 6.080 30 1 FKEF CC(=O)OC1=C(C)[C@H](C=Cc2ccoc2)[C@]2(C)CCCC(C)(C)[C@@H]2C1=O 2356461959 ZZMOWNDJRNFDCJ-XJABCFGWSA-N 356.462 5.161 30 1 FKEF CC(C)=CCCC(C)=CCCC(C)=CC[C@]12CC(=O)C=C[C@H]1OC(=O)C2 2356755729 MXERJWHSUSUHEB-FYYLOGMGSA-N 356.506 5.627 30 1 FKEF CC[C@H](C)CCCCCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356819524 FCOCMZBRGLRFTM-ROUUACIJSA-N 365.558 5.565 30 1 FKEF CC1(C)CC(=O)C2=C(C1)Nc1ccccc1[C]2NCc1ccccc1Cl 2356852391 FUNDQKIDRBDHSE-UHFFFAOYSA-N 365.884 5.079 30 1 FKEF C=C(C)[C@H]1C[C@H](c2c(O)cc(O)c(C(=O)c3ccccc3)c2O)C(C)(C)C1 14635951 BJMZANGURMWXHW-JKSUJKDBSA-N 366.457 5.130 30 1 FKEF biogenic CCC1(CC)OC(=O)N(C)c2ccc(Nc3cc(F)cc(C#N)c3)cc21 28878800 QXKFAMHTDWOYCA-UHFFFAOYSA-N 353.397 5.043 30 1 FKEF CCCCCCCCCCCCCCCCCCCc1ccc(C=O)[nH]1 85568905 QOYCOHYYFGLDDX-UHFFFAOYSA-N 361.614 8.021 30 1 FKEF biogenic CN1[C@@H]2CC[C@@H]1CC(=NO[C@@H](c1ccccc1)c1ccccc1Cl)C2 102064152 XHZOJUVBFLNUDN-OPYAIIAOSA-N 354.881 5.059 30 1 FKEF CCCCCCCCCCCCC/C=C\COc1ccc(C(=O)O)cc1 169344860 KUSISFNZLAIOGV-PFONDFGASA-N 360.538 7.021 30 1 FKEF CCCC/N=C\N1c2cc(OC)ccc2-n2cccc2[C@H]1c1ccccc1 263590259 FCGBHFNRQDBSEG-QHKNXTSZSA-N 359.473 5.224 30 3 FKEF Fc1ccc(Nc2ncnc3ccc(C#Cc4ccccc4)cc23)cc1Cl 28951118 AFYKJRQINKZASH-UHFFFAOYSA-N 373.818 5.566 30 1 FKEF CCCCCCCCCCCC(=O)c1c(C(=O)O)n(C)c2ccc(O)cc12 38158692 SSNRCCULIXYCCZ-UHFFFAOYSA-N 373.493 5.686 30 1 FKEF CCCSC1=C2CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]3[C@]2(C)CCC1=O 253637761 KECSLKZJFNOOFU-IDNPNKOWSA-N 360.563 5.558 30 1 FKEF O=C[C@H](c1cccc(Cl)c1)[C@H]1c2ccsc2CCN1Cc1ccco1 962704163 IZVDQNDJTXLASM-UYAOXDASSA-N 371.889 5.077 30 1 FKEF COC1=CC(=O)C(O)=C(C/C=C(\C)CCC2=C(C)CCCC2(C)C)C1=O 1911582922 LWZZFLJQHHLKJG-RIYZIHGNSA-N 358.478 5.124 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@@H]1OC(=O)C3=C(C)OC(C)(C)[C@@H]4CC[C@@]12[C@@H]34 2356460314 QATHFSXCKTWEAB-AMPNPVJDSA-N 368.517 5.330 30 1 FKEF C=C[C@@](C)(CCC=C(C)Cc1cc(C)co1)CC(=O)c1ccc(O)cc1O 2356578282 LWGOWLLEFFBWEM-QHCPKHFHSA-N 368.473 5.734 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CCC(C)=CCCC(C)=CCC[C@H](CO)CC1 2356596082 DVHRFHOKROCIPF-DQEYMECFSA-N 358.610 7.541 30 1 FKEF C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccccc2o1 2382219001 ZBJYHLZEMQAYSF-WSDLNYQXSA-N 367.861 6.046 30 1 FKEF CCN(CC)C(=S)SC/C(=N\c1ccccc1)Nc1ccccc1 40514466 GHKBYUPKUSXNKN-UHFFFAOYSA-N 357.548 5.189 30 1 FKEF CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(=O)O)cc1 73223583 VOVCJHQNRBIKOU-UHFFFAOYSA-N 356.462 5.094 30 1 FKEF C=CCCCCOc1ccccc1-c1cnc(NC(=O)CCCC=C)n1C 103244452 YFIUCUWRXAOMPG-UHFFFAOYSA-N 367.493 5.117 30 1 FKEF C[C@@]12CC[C@@H]3[C@H](C(c4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 254088618 OPLIQEAVVVBVAF-UUPRHWSJSA-N 360.497 5.391 30 1 FKEF C=CCc1cccc2nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c12 587159218 NCPHSBFFALLALC-UHFFFAOYSA-N 372.443 5.697 30 1 FKEF CCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603504 PQKSOSCNGCCGCU-FPOVZHCZSA-N 368.473 5.863 30 1 FKEF C=CC[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824836 ZCUOBFGGHJTVIN-RVZJWNSFSA-N 352.291 5.084 30 1 FKEF CCCCCCCCCCCCCCCC=C1C(=O)O[C@@H](OC)[C@H]1O 2356441375 PDYYNJRNSPYYHH-PZJWPPBQSA-N 354.531 5.284 30 1 FKEF CCCCCC=CC[C@@H]1O[C@@H]1[C@@H](O)C=CCC=CCCCCCC(=O)O 2356795283 LTXOEHBYWKSNMA-JAXLGGSGSA-N 364.526 5.179 30 1 FKEF Cc1cc2c(cc1/C(=N/O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 3834061 ZDSBRLPUWAHPHO-HIXSDJFHSA-N 365.473 5.269 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(CCCCC(=O)O)CCC[C@@]23C)C1 3981138 IFIXXFKTBDCXOX-FNTNPWFNSA-N 358.566 6.767 30 1 FKEF CCCCCCCCCCCCCC[P@@](=O)(O)OCc1ccoc1 43100147 QVRJVIQXFXDTHW-UHFFFAOYSA-N 358.459 6.683 30 1 FKEF CCCCCC/C=C/CCCCCCCc1cc(O)cc(O)c1C(=O)O 85610535 ACSAQPSTIMIXGH-BQYQJAHWSA-N 362.510 6.206 30 1 FKEF endogenous,in-man CCCCCCCCCCCCCC(=O)NC[C@@H](O)c1cccc(O)c1 95573038 PBDKIZBCYRASHM-OAQYLSRUSA-N 363.542 5.243 30 1 FKEF COC1=CC(=O)C(O)=C(C[C@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CCCC3(C)C)C1=O 195488099 ZMWPUCGPHZVIMQ-XBRCYRKVSA-N 374.521 5.140 30 1 FKEF C[C@H](C#N)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587187425 GJDLVGWLSRAYHC-SECBINFHSA-N 360.642 5.273 30 1 FKEF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(/C(C)=N\OCCCC#N)cc1OC2(C)C 1857650694 BPUPSNATXJVJDE-QRHYHNLTSA-N 368.477 5.047 30 1 FKEF CC(C)c1ccc(/N=C2\CCC[C@@H]3[C@H]4CCCN5CCC[C@H](CN23)[C@@H]45)cc1 1857766732 MDLSUBWBOMZLSL-QRSZCVGUSA-N 365.565 5.199 30 1 FKEF C=C1C[C@]2(CC[C@]3(CCC[C@@H]3CO)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 2356365738 QZQQCWGWNDJJMV-VXKYFNEPSA-N 358.566 5.495 30 1 FKEF C[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)C=CC(=O)C(C)(C)[C@H]1CC3 2356867490 WSGABYGALSWQQJ-IHEYJVFSSA-N 370.577 5.709 30 1 FKEF C#C[C@H](CCCCCCC(=O)O)[C@H](C#C)C[C@H]1O[C@@H]1CCCCCCCC 43366132 FAIJXZMKXGTJDJ-SSGKUCQKSA-N 374.565 5.819 30 1 FKEF CCCCCCCOc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1 103040495 HMKNNLCYZBPBAA-DKXQDJALSA-N 360.606 6.548 30 1 FKEF CCCCCCCCCCCCCCCCn1cc(-c2ccccc2)nn1 169339790 RSGZFHMFMNMJRS-UHFFFAOYSA-N 369.597 7.426 30 1 FKEF C[C@]1(c2ccc(N=[N+]=[N-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576979 QMRKNIIAOQWRST-WIYYLYMNSA-N 373.368 5.211 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(OC(C)C)c(Cl)c1 587903743 OJYKKDBGBURJKJ-UHFFFAOYSA-N 369.675 5.842 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(C(F)(F)F)cc1O 587913995 RRMBTHOPHUWVAZ-UHFFFAOYSA-N 361.146 5.126 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(NCc2cccs2)cc1 587921256 YUACXVYSBFNHFV-UHFFFAOYSA-N 353.874 5.422 30 1 FKEF COC1=C(C)C(=O)[C@]2(CC=C(CCC=C(C)C)C[C@H]2C(C)C)C(=O)C1(C)C 2356746198 BZYZIWKMUTYFDN-YADARESESA-N 372.549 5.810 30 1 FKEF C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 3942299 FLXKJKBDBACQDP-UHFFFAOYSA-N 351.515 5.869 30 1 FKEF C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](c4cccnc4)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 141098714 AGZOZNZGJNVQON-QKGCQPFZSA-N 361.529 5.719 30 1 FKEF CCCCCCCS[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 169343633 KCOKBDWYBNXFCM-IRRXTAOVSA-N 354.556 5.437 30 1 FKEF CC/C=C(\C)C(=O)/C(C)=C/[C@@H](C)/C=C(C)/C=C(\C)C(=O)[C@@H](C)C(=O)CC 238747569 PGVPJDMZSGQKNW-LMGGNLGOSA-N 358.522 5.571 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)c(C#N)c2c1 587644499 XWJYGAXRLZACQC-INIZCTEOSA-N 359.473 5.057 30 1 FKEF N#Cc1ccc(Nc2cc(Nc3ccccc3)nc(-c3ccccc3)n2)cc1 2382237952 BWYHEQPPVBBSPR-UHFFFAOYSA-N 363.424 5.502 30 1 FKEF C/C(O)=N\c1ccc(-c2nnc3ccc(-c4ccc(C(C)C)cc4)cn23)cc1 74387356 LUJLUSFWWYTKKA-UHFFFAOYSA-N 370.456 5.795 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C#N)c(OCCC(C)C)c1 587903555 JDBUWLYUVDXNHZ-UHFFFAOYSA-N 353.849 5.045 30 1 FKEF O=C1C(Cl)=C[C@]2(NCCc3cc(-c4ccccc4)ccc32)c2ccccc21 962675424 XAKZEBNJYCWKRT-XMMPIXPASA-N 371.867 5.062 30 1 FKEF CCCCCCCCCCCCCCOC(=O)c1cccc2nc[nH]c12 1857546999 BSIWOUPAWYXGGY-UHFFFAOYSA-N 358.526 6.421 30 1 FKEF Cc1ccc(C2=C(/C=C/C#Cc3ccc(C(=O)O)cc3)C(C)(C)CCC2)cc1 1550227 RBNMMKYVQJOBKR-WEVVVXLNSA-N 370.492 6.265 30 1 FKEF C=C1C[C@@](C)(c2ccc(Nc3nc4ccccc4c4occc34)cc2)OC1=O 1663240 JAVZRWSGWYSQKU-QHCPKHFHSA-N 370.408 5.443 30 1 FKEF CCN1C(=O)c2ccccc2Sc2ccc(/C(O)=N/C3CCCC3)cc21 3060477 ADQLFJNGYDQHJL-UHFFFAOYSA-N 366.486 5.065 30 1 FKEF CCCCCCCCNC(=O)Oc1cccc(OC(=O)c2ccccc2)c1 43490748 FMDXSCMUCRZQNT-UHFFFAOYSA-N 369.461 5.355 30 1 FKEF C=C1C(=O)[C@@]23CC[C@H](C(=C)C)[C@@](C)(CCC(=O)OCCCC)[C@@H]2CC[C@H]1C3 473132112 QTSQECWCPOUMFC-ABPIBVIQSA-N 372.549 5.644 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)ccc1NC(=O)OC(C)(C)C 587899466 BFIFELYFSRKXMJ-UHFFFAOYSA-N 371.864 5.404 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(Nc2ccccc2)c1C#N 587900987 XBJQUTFHFNWSGD-UHFFFAOYSA-N 358.828 5.364 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C(=O)O)s2)s1 587920943 PSBQSZPUVUVXQY-UHFFFAOYSA-N 374.870 5.237 30 1 FKEF O=C[C@@H](c1cccc(Cl)c1)[C@H]1c2ccsc2CCN1Cc1ccco1 962704160 IZVDQNDJTXLASM-AZUAARDMSA-N 371.889 5.077 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](O)C=CC=CC(=O)O 2356324593 KKPWDPXWIUPCGB-OAQYLSRUSA-N 352.559 6.416 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@@](C)(CCC=C(C)C)[C@H]2CCC(C)=CC(=O)O 2356792817 GVNLWAMQXITKTC-WMMXXEOUSA-N 372.593 7.323 30 1 FKEF CC1(C)CC(=O)C2=C(C1)Nc1ccccc1[C]2NCc1ccc(Cl)cc1 2356809441 AXMWUAQWQHLFNU-UHFFFAOYSA-N 365.884 5.079 30 1 FKEF CCCCCCCCCCCCCCCCCCCC[C@@H]1CCC(=O)O1 85663753 AFZOXJCUHIZZDU-HSZRJFAPSA-N 366.630 8.124 30 1 FKEF biogenic CCCCCCCCCCCCCCCCCCOC(=O)CCCCC 144157330 GQKMJPMHAWIENG-UHFFFAOYSA-N 368.646 8.371 30 1 FKEF C=C(C)[C@H]1CC=C(C)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989956 GTVPVYIHTLIVGT-CQSZACIVSA-N 353.421 5.619 30 1 FKEF CCCCCCC/C=C/C[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587525958 ULUGQHVEZCADLO-BQJUAITNSA-N 368.561 6.986 30 1 FKEF CCCCCCCCCCCCCCc1ccc2c(O)nc(O)nc2n1 587561919 WRGMPYVXDDKJRM-UHFFFAOYSA-N 359.514 5.680 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(NC(=O)c2ccccc2)c1 587905341 RFBALTGXCMWWNG-UHFFFAOYSA-N 361.828 5.001 30 1 FKEF C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1c1c(O)cc(C=Cc2ccccc2O)cc1O 2356646143 QZIGMIOMEWTNCH-LSTHTHJFSA-N 364.485 6.070 30 1 FKEF C=C(CNC(=O)CCCCCCCCCCCC[C@H](C)CC)C(=O)O 2356854246 RNARRHCVJDRUQR-GOSISDBHSA-N 353.547 5.471 30 1 FKEF CCCCCCCCCCCCC/C=C/CC/C=C(\C)C(=O)NCCO 44361380 SJZSLZDOZDKKND-JWGQYYPISA-N 365.602 6.079 30 1 FKEF in-vivo CCCCC[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@]2(C)C=CC(=O)C=C12 261182776 WLAOFEXUHCVHAH-FOCUCWDZSA-N 354.534 5.670 30 1 FKEF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C/C(=C\c1cccs1)C2=O 299870137 NTDFYDJSLAOTRY-JNGXLZSDSA-N 364.510 5.572 30 1 FKEF in-vivo CCCCCCCCCCCCCCCCC[C@@H](O)Cc1ccccn1 2382253491 XAQFSSZZWQCALZ-XMMPIXPASA-N 361.614 7.247 30 1 FKEF CCCCCCCCCCCCCCCCNC(=O)C1(C(=N)N)CC1 71296617 RNIGTTZZVOOFCZ-UHFFFAOYSA-N 351.579 5.300 30 1 FKEF CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)C(C)=C3O)cc2)s1 101128179 APLFACQENWVHRX-IBGZPJMESA-N 358.484 5.024 30 1 FKEF COc1ccc([C@@H]2CC(O)=C/C(=N/CCc3c(C)[nH]c4ccccc34)C2)cc1 103530545 FJRNZFPUWVDSGW-OLQVNIRXSA-N 374.484 5.488 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)OC)cc1 169336607 NCOVMNBYFSJFND-LVZFUZTISA-N 374.565 6.953 30 1 FKEF CCCCCCCCCC/C=C/[S@](=O)c1cc(O)c2ccccc2c1O 169729646 RNWZBETUPWGQTL-KWAUPFKJSA-N 374.546 6.403 30 1 FKEF C[C@]12C=CC(=O)C=C1C[C@@H](Cc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 211305676 MLUYKSFWFXYPLT-WVSGMKLRSA-N 374.524 5.332 30 1 FKEF N#Cc1ccc2c(C(=O)[C@H](Sc3ccccc3)c3ccccc3)coc2c1 587278889 AMRAMQLBJQDZBZ-HSZRJFAPSA-N 369.445 6.021 30 1 FKEF N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccc(Cl)cc2)c1N 653856817 FLCUGSQPIXDKNS-UHFFFAOYSA-N 369.855 5.919 30 1 FKEF Cc1ccc(C(=O)c2c(C#Cc3ccccc3)sc3c2CCCC3)cc1 1772642754 JFRAXGHTDUBRIH-UHFFFAOYSA-N 356.490 5.566 30 1 FKEF CCCCCCCCCCCCC=CCCCCCCCCCC(=O)O 2356307233 PUAQHEAHUKHXMC-UHFFFAOYSA-N 366.630 8.449 30 1 FKEF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCC(C)(C)CC(C)=O 2356535371 XMGIBLOLCCXDOM-CQIJRDABSA-N 362.554 5.724 30 1 FKEF C=C(C[C@H](O)CC(C)C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC[C@@H]3[C@@](C)(O)CC[C@H]12 2356773450 ZTTPPDZFKVLMFX-WWHWHCQSSA-N 374.609 5.890 30 1 FKEF C=CC/C=C\C/C=C\CCCCCCCc1c(O)c(OC)cc(OC)c1O 14639176 PIAHTJGIQDTXBU-HZJYTTRNSA-N 374.521 6.077 30 1 FKEF in-vitro C#C[C@H](CCCCCCC(=O)O)[C@H](C#C)C[C@@H]1O[C@H]1CCCCCCCC 43366130 FAIJXZMKXGTJDJ-LUKWVAJMSA-N 374.565 5.819 30 1 FKEF CCCCCCCCCCCC(=O)N1N=C2C(C)=CC=C[C@@]2(C)CN1C 43587148 RDDBXFALEAZIKG-QFIPXVFZSA-N 359.558 5.475 30 1 FKEF CCCCCCCN1C=C/C(=C/C=C2/C=Nc3ccccc32)c2ccccc21 367729169 SCCZDQFQNGQMEJ-BMJUYKDLSA-N 368.524 7.174 30 1 FKEF [N-]=[N+]=Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986619 DQPZUEGAJLQYJN-UHFFFAOYSA-N 364.364 5.761 30 1 FKEF CCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602533 YNYXIUMIUNAAPQ-OFNKIYASSA-N 368.473 5.863 30 1 FKEF O=C(/C=C/c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccccc12 1772649285 KAFGCMFBWNKEAI-VMPITWQZSA-N 365.230 5.308 30 1 FKEF CC(C)=CCCC(C)=CC[C@]1(C)C(=O)C(C)=C(O)C2=C1O[C@H](C)CC2=O 2356451688 OEDQLGJPWHJKOM-IVZQSRNASA-N 358.478 5.122 30 1 FKEF CCCCCCCCCCCCCCCC[C@H]1C=CC(=O)[C@@H]1C(=O)OC 43450510 FIXDKBASLLNUMM-RBBKRZOGSA-N 364.570 6.402 30 1 FKEF C=CCCCN[C@H]1CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]2(C)[C@H]1O 95592548 IIOWWNDELKBGKP-VXAMWORUSA-N 363.630 5.951 30 1 FKEF C=C1CCC[C@]2(C)CCC(c3cn(-c4cccc(OC)c4)nn3)=CC[C@@]12C 299857157 CRMDRQSGVVNFGA-PKTZIBPZSA-N 363.505 5.596 30 1 FKEF CCCCCCCNCc1cc2c(cc1O)OC=C(c1ccc(O)cc1)C2 473155217 QIKNBJZYILWAJY-UHFFFAOYSA-N 367.489 5.134 30 1 FKEF C#CCC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCCCC1 586879949 VKFPQEMTVZBZEH-UHFFFAOYSA-N 371.509 6.065 30 1 FKEF C[C@@H]1CC[C@H](C(C)(C)S)c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208901 FJILYQDDFYONED-DYVFJYSZSA-N 373.521 6.136 30 1 FKEF CCCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817295 BIPXOOKXWUZDMK-PBHICJAKSA-N 370.350 6.304 30 1 FKEF C=CCOc1c(OC)cc(CCC)cc1Oc1ccc(CCC)cc1OC 1857578170 LFTFAOYIUNPYFM-UHFFFAOYSA-N 370.489 5.966 30 1 FKEF CCCCCCCCCCCCCCC=CCCC=CCCCC(=O)O 2356414727 OVQSZVCJOZKJGA-UHFFFAOYSA-N 364.614 8.225 30 1 FKEF Oc1ccccc1/C=N/c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 1653645 VYOWGNPASOCHRS-WSDLNYQXSA-N 358.224 6.242 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)/C=C/[C@@H]1O[C@H]1C(=O)O 44430557 LOPUOQXRVYARTM-BWMVHVDHSA-N 366.542 5.835 30 1 FKEF CCCCCCCC[C@@H](CCCCCCCCCCCC(=O)O)OC 59145070 MZXNTCGVKVBBBA-NRFANRHFSA-N 356.591 7.128 30 1 FKEF biogenic C=C(C)C(=O)Nc1cccc(-c2ncnc3[nH]cc(-c4cccc(C)c4)c23)c1 218974914 XCHSXEOQITWOFN-UHFFFAOYSA-N 368.440 5.115 30 1 FKEF FC(F)(F)c1cccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 586901951 QYEUVQPCGHBCNE-UHFFFAOYSA-N 352.315 5.242 30 1 FKEF Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2cc(F)ccc12 587634381 XEFQASHJWOAKQU-UHFFFAOYSA-N 361.260 6.320 30 1 FKEF O=C1/C(=C/c2ccccc2F)COC/C1=C\c1ccc(Cl)cc1Cl 1772593816 IZMOADLTKBYRDC-IROCBMIISA-N 363.215 5.199 30 1 FKEF C/C(=N\O)c1ccc(Sc2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 13743618 PWCCZPBTYQFXGU-LSCADSNKSA-N 363.504 5.096 30 1 FKEF CCCCCCCCCCC[S@](=O)C1=CC(=O)c2ccccc2C1=O 95588930 RUVNXXROWYHEIY-RUZDIDTESA-N 360.519 5.229 30 1 FKEF CCCCCC/C=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813143 BHRYTPJTMXDTMR-KMRAWUOHSA-N 368.334 5.864 30 1 FKEF CC1=CC(=O)[C@H]([C@@]2(C)c3ccsc3CCN2Cc2ccco2)C(C)(C)C1 962701858 FDEWHTYUZYZVLK-RBBKRZOGSA-N 369.530 5.176 30 1 FKEF CCCCCCC=CC[C@H](CCC(C)C)C[C@@H](CCCC(=O)O)CNC 2356353535 PYWWKUDSWNSNSL-FGZHOGPDSA-N 367.618 6.436 30 1 FKEF CCCCCCCCC=CCCCCCCCC[C@@H]1C(=O)O[C@H](C)[C@H]1O 2356625608 SNHBFKBOZVBFIT-BHIFYINESA-N 366.586 6.336 30 1 FKEF CC(C)CC[C@]1(c2ccccc2)CC(=O)C(Sc2ccccc2)=C(O)O1 13766452 GWPDSFFTDMKDBL-JOCHJYFZSA-N 368.498 5.827 30 1 FKEF C/N=C(/N)Nc1ccc(OCCC2CCCCC2)c(-c2ccccc2)c1 28009541 MJFKJIBWELHUGJ-UHFFFAOYSA-N 351.494 5.059 30 1 FKEF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C#N)cc3)c2c1 169306808 FWFCQLDVCXATKF-UHFFFAOYSA-N 359.816 5.665 30 1 FKEF CC(C)n1cc(-c2cn(-c3ccc(C(=O)O)cc3)cc2C#N)c2ccccc21 200843134 FGQUVYPYHAHFLU-UHFFFAOYSA-N 369.424 5.250 30 1 FKEF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(C#N)c3[nH]2)c1 587241629 ZPOYIVCSGCYFIP-UHFFFAOYSA-N 353.429 5.044 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(Br)c1 587904821 YLSMOBMYKRRJQK-UHFFFAOYSA-N 356.046 5.164 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(CCC(=O)C(C)(C)C)cc1 587905800 INHYRMKNGSQKMW-UHFFFAOYSA-N 354.877 5.296 30 1 FKEF Cc1ccc(C(=O)/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587964826 CTANMGFOWNNLRV-CCEZHUSRSA-N 362.432 6.074 30 1 FKEF CCCCCCCCOc1cc(C)c2c(c1C(C)C)C=C(C)C(=O)C2=O 1772581866 XXWBICLHARUKQS-UHFFFAOYSA-N 356.506 6.026 30 1 FKEF COC1=C(C)C2=C(C(=O)C1(C)C)[C@@H](C(C)C)C[C@]1(CC[C@@]3(C(C)C)C[C@@H]13)O2 1857760145 GANQKRZEIAHQPL-PYMOVNHWSA-N 372.549 5.657 30 1 FKEF CC(C)=CCCC(C)=CC[C@@]1(C)C(=O)C(C)=C2O[C@H](C)CC(O)=C2C1=O 2356661098 RWVTZZISTKBQMV-QRQCRPRQSA-N 358.478 5.122 30 1 FKEF C[C@@]12CCC(=O)C=C1C=C(c1ccccc1)[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 58535022 OPLIQEAVVVBVAF-RHXAMEDASA-N 360.497 5.391 30 1 FKEF [N-]=[N+]=Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987599 PAXRZBPTGPDTSB-UHFFFAOYSA-N 364.364 5.761 30 1 FKEF C=CCO[C@@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587364971 HGJJSOLTTQBFOT-LJQANCHMSA-N 357.409 5.456 30 1 FKEF CCCCCCCCC[C@H](C)C[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444649 FJIUYEJIVUOKLJ-VDGAXYAQSA-N 358.522 5.978 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@@]3(C[C@]12C)[C@@H](C)CC[C@H]1C(C)(C)C(=O)CC[C@@]13C 1857562258 DPFQPNJTINPILZ-IGEYXDNXSA-N 370.533 5.396 30 1 FKEF COC(=O)CCCC#CCCCCCCCCCCCCCc1ccco1 35826045 AQNHEYASQIWORC-UHFFFAOYSA-N 374.565 6.850 30 1 FKEF biogenic C=CCc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063413 MSXLAEIHORAMLC-UHFFFAOYSA-N 374.871 6.191 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3F)c(C#N)c2c1 587643033 RAZPTKZVAVXGTD-LLVKDONJSA-N 371.253 6.122 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Cl)cc(Br)c1 587898494 LGXOVJHABNQAQY-UHFFFAOYSA-N 370.073 5.359 30 1 FKEF CCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(OC)cc2)c1C#N 653718527 VERWZMDKUOKPFB-UHFFFAOYSA-N 370.408 5.441 30 1 FKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CCC[C@@](C)(COCC(C)=CC)[C@]3(O)CC[C@@H]2C1 2356437346 OZVOQLQAPWZOIF-QBAYYSSKSA-N 374.609 6.299 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083538 YUPKLOAAJJDHGY-UHFFFAOYSA-N 354.240 5.813 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100656 NVDJPZZPDPTDNW-HOCLYGCPSA-N 353.465 6.312 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc2c(Cl)cc(C3CC3)nc12 587911695 NELQJTUMLZJGMZ-UHFFFAOYSA-N 368.263 5.827 30 1 FKEF CC(C)=CCCC(C)=CC[C@]1(C)C(=O)C(C)=C(O)C2=C1O[C@@H](C)CC2=O 2356451690 OEDQLGJPWHJKOM-OYHNWAKOSA-N 358.478 5.122 30 1 FKEF C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3[N+](=O)[O-])cc21 28571672 CFFQJQJEMBVBKL-UHFFFAOYSA-N 366.486 5.769 30 1 FKEF CCC1=C(OC)C(=O)C(CCCCCCCCCCC(C)=O)=C(C)C1=O 43067859 YLBJAESVCGODNW-UHFFFAOYSA-N 362.510 5.255 30 1 FKEF CCCCC/C(C)=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 96924356 OUKHOPGGTZWKHP-RGVLZGJSSA-N 356.322 6.485 30 1 FKEF C=C[C@]1(C)CC[C@@H](C(=C)COC(=O)c2ccccc2Cl)C[C@H]1C(=C)C 299834906 VWTDJFXXGHNDMG-ZWCUEREDSA-N 358.909 6.238 30 1 FKEF CC(C)(C)Sc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1 587921580 HXKKHWFFXGMUPL-UHFFFAOYSA-N 350.512 6.239 30 1 FKEF CCC(=O)Nc1ccc(N[C@H](C#N)c2cccc(Oc3ccccc3)c2)cc1 5836924 BIMFOHNJASKBNW-JOCHJYFZSA-N 371.440 5.504 30 1 FKEF O=C(CCCCC#Cc1ccccc1Cl)c1ncc(-c2ccccn2)o1 14980008 JBBDNZYASTVJES-UHFFFAOYSA-N 364.832 5.185 30 1 FKEF Cc1c(Nc2c(C#N)cncc2/C=C/C2CCCCC2)ccc2[nH]ccc12 45253740 TZLVNGQSHBVJDQ-BQYQJAHWSA-N 356.473 6.080 30 1 FKEF C=C[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C 169354705 DJAAPGPGXVPSMP-CZYKHXBRSA-N 369.455 5.108 30 1 FKEF CCCCCCCCCCCCCC1=C(C)N(C(=O)C(F)(F)F)CC1 238762691 YJVXANMGDPMOHG-UHFFFAOYSA-N 361.492 6.756 30 1 FKEF CC#CCCCCCCCc1nc2ccc(F)c(Br)c2[nH]1 587956928 MIBKXUDMSVCTSY-UHFFFAOYSA-N 351.263 5.371 30 1 FKEF COc1cc(/C=C2\CCC/C(=C\c3c(C)cc(C)cc3C)C2=O)ccc1O 653694220 PPMMEJUBLPDUIY-LCAIAVFMSA-N 362.469 5.546 30 1 FKEF CC(C)OC1CCC2(CC1)c1ccccc1CCN2[C@H](C#N)c1ccccc1 963205079 NCAUUQVYSWTZOB-KWKWTDQQSA-N 374.528 5.372 30 1 FKEF COc1cccc([C@@H]2c3cccn3-c3ccccc3N2/C=N\C(C)(C)C)c1 263590287 IBKJZRAUYKVZJN-RRDPUDRWSA-N 359.473 5.222 30 3 FKEF CCCCCCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1 49756622 ZNJJGGVTHHJCRN-UHFFFAOYSA-N 369.505 6.817 30 1 FKEF in-vivo CC(C)c1cccc(Oc2cc(/C(=N/O)N3C[C@@H](C)C[C@H](C)C3)ccn2)c1 72186600 LSHRDMJSAHOFSE-ARHGIMQLSA-N 367.493 5.111 30 1 FKEF CCCCCCCCCCCCCCC[C@H](O)CC(=O)c1ccccc1 85773076 AESWPUVMLJHDRW-QHCPKHFHSA-N 360.582 7.102 30 1 FKEF endogenous,in-man COc1ccc(/C=C/C(O)=C/C(=O)/C=C/C2=C(C)CCCC2(C)C)cn1 100092536 PYZMWBKZEWDMKA-UDEJHCHWSA-N 353.462 5.197 30 1 FKEF N#Cc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1C(F)(F)F 587152972 UAWFVWPMMFAHFL-QWRGUYRKSA-N 363.289 5.003 30 1 FKEF C=CCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Cl 587459732 DAIPHYFUGPVJKH-HXUWFJFHSA-N 372.848 5.269 30 1 FKEF C[C@@H](C#N)C[C@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507159 UQYMWQWOFQQOPC-IQMFZBJNSA-N 363.432 5.115 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(C[C@@H](CC(C)C)C(=O)O)c1 587904659 SXOTZMXJHCRBDF-LJQANCHMSA-N 370.876 5.038 30 1 FKEF COc1cc2ncc(C#N)c(Nc3cc(Cl)ccc3Cl)c2cc1OC 13862207 YCWWUYIHVFYWMP-UHFFFAOYSA-N 374.227 5.174 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CCc2cccc(OC)c2C1 42923969 UBQXGCGHESSZKG-QHCPKHFHSA-N 373.625 6.843 30 1 FKEF COc1ccccc1[C@@H]1Nc2cc(C)ccc2NC2=C1C(=O)CC(C)(C)C2 43123380 DEMRXOWYVZHJPF-QFIPXVFZSA-N 362.473 5.226 30 1 FKEF CCCCCCCC[C@@](C)(CCCC)OC(=O)c1cnc(Cl)cn1 43352679 DPEVHOCINYGPLP-LJQANCHMSA-N 354.922 5.986 30 1 FKEF Cc1ccc(C(=O)/C=C/c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1 73170041 WDVYUDZPERSKNB-GIDUJCDVSA-N 374.415 5.674 30 1 FKEF C=CCN1[C@H]2CC[C@@H]1CC(=CCOC(c1ccccc1)c1ccccc1)C2 73197849 FRUXJSKDDJFGQA-PSWAGMNNSA-N 359.513 5.532 30 1 FKEF C=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(CC[C@@H](CC)CCC)cc1OC2(C)C 89455871 GJCFMSBZHLMSFO-DFQSSKMNSA-N 356.550 6.762 30 1 FKEF C=CCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 103227262 WDOKGNOTOAMJEX-ZBYYUNFXSA-N 369.455 5.252 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCC(F)(F)F 587625785 KKFZKQFOANELEE-UHFFFAOYSA-N 363.223 6.009 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(OCc2ccc(C)cc2)c1 587905469 WDZQAFQMXIQXPI-UHFFFAOYSA-N 362.856 5.636 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c[nH]c2cc(C(F)(F)F)c(C#N)cc12 587913942 PIODUTFXIGNAHJ-UHFFFAOYSA-N 374.749 5.120 30 1 FKEF N=c1c2c([nH]c3ccccc13)CC/C(=C/c1cccc3ccccc13)C2=O 1857769130 AVIVABHWJHMFPE-VKAVYKQESA-N 350.421 5.013 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc2scnc2cc1O 2356804905 VBGXCENGZWHWOD-FJGOKHBRSA-N 355.547 6.343 30 1 FKEF CCCCCCCCN1c2ccccc2C(=O)N(O)[C@H]1c1ccc(C)cc1 2382229506 XVNGJKMSRUYMJF-QFIPXVFZSA-N 366.505 5.706 30 1 FKEF CC(C)[C@H]1N(c2ccccc2)CC2=C(CC(C)(C)CC2=O)N1c1ccccc1 2382253094 QLCQRDAAKYAQRI-DEOSSOPVSA-N 374.528 5.639 30 1 FKEF CN(CC#CCCC1SCCCS1)CCc1ccc2ccccc2c1 13821709 WFEKWBAVLZGWSD-UHFFFAOYSA-N 369.599 5.294 30 1 FKEF Nc1nc(-c2ccccc2)c(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1 45366286 RUVPDUPZCOCLCT-MFKUBSTISA-N 372.859 5.335 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)OC1CCCCC1 49746972 AGQQDRCCFNAEBC-UHFFFAOYSA-N 352.603 7.734 30 1 FKEF CCSC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1ccccc1Cl 84722932 OQPGMDWUWRWPHY-UHFFFAOYSA-N 374.937 5.999 30 1 FKEF CCCCCCCSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100999824 KJSNNKBWTXQJLG-XDPKNSKOSA-N 368.583 5.685 30 1 FKEF CCCCCCC#C[C@@H](c1ccc2c(c1)CCC(C)(C)O2)N1CCCCC1 103208406 WPCDCGVOUALWLK-QHCPKHFHSA-N 367.577 6.291 30 1 FKEF CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1ccccc1F)N[C@@H]2c1ccccc1F 169324505 DPBGDUIBZNSYMQ-YTPMYNQJSA-N 370.443 5.159 30 1 FKEF CCCCCCCCC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C 169622372 PTGYDEYLBOXVAU-SZAMPSRSSA-N 362.598 7.699 30 1 FKEF C=C(C)[C@H]1CC[C@H](C)c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586992772 ZKKNWENIDMBWRH-UONOGXRCSA-N 355.437 5.709 30 1 FKEF CCCCCCCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399854 KMSACQBWWIJXSX-QFIPXVFZSA-N 367.489 5.633 30 1 FKEF C[C@@]1(c2ccccc2N=[N+]=[N-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576893 QCXUEIKNPRHUHY-NQIIRXRSSA-N 373.368 5.211 30 1 FKEF C=CCC(C)(C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587954279 MUTQWQFKSMYNMN-UHFFFAOYSA-N 365.315 5.604 30 1 FKEF CCCCCCC=CCCCCCCCCCCCCCCCC(=O)O 2356645387 OGQIJHRKHPDBAV-UHFFFAOYSA-N 366.630 8.449 30 1 FKEF CCCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O 43872049 NOIUQSIMNMZHIP-UHFFFAOYSA-N 374.528 6.328 30 1 FKEF CCCCCCCS[C@H]1[C@H]2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O 253637638 KCOKBDWYBNXFCM-AXABNBTNSA-N 354.556 5.437 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc([C@@H](O)c2ccc(C)cc2)c1 587904567 QGJUYKVNBIMQBU-QHCPKHFHSA-N 362.856 5.139 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)ncn2C1CCCCC1 587907757 UCQIYWDZJVALBV-UHFFFAOYSA-N 364.876 5.603 30 1 FKEF CCCCCCCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1 1857584057 PCOJPJDCVVBLIC-JQIJEIRASA-N 368.539 5.404 30 1 FKEF c1ccc2cc(/N=C3\CCC[C@@H]4[C@H]5CCCN6CCC[C@H](CN34)[C@@H]56)ccc2c1 1857651824 SWBOMSVQXMSHGK-MDIQGYSXSA-N 373.544 5.229 30 1 FKEF CCCCCCCCCCCCCCN[C@@H]1CCc2cccc(OC)c2C1 42923966 UBQXGCGHESSZKG-HSZRJFAPSA-N 373.625 6.843 30 1 FKEF COc1ccccc1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12 53293475 LLKRWYILLMHWBQ-UHFFFAOYSA-N 368.396 5.046 30 1 FKEF C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 85994348 NJMFZDTYMRZXER-WGMIIJIISA-N 364.526 5.219 30 1 FKEF C=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)C=C[C@H](OC(=O)/C=C/C=C/[C@@H](C)CC)[C@@H]2C 166192525 ICTLXILJPBBAPB-KIPNYWITSA-N 368.517 5.360 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(CN(C(C)C)C(C)C)cc1 587905582 ALLWKYTXIZWMKP-UHFFFAOYSA-N 355.909 5.367 30 1 FKEF N#Cc1ccc(-c2csc(N/N=C/c3cc4ccccc4s3)n2)cc1 1857599353 GJBDONBWWZFXIF-SRZZPIQSSA-N 360.467 5.342 30 1 FKEF C[C@@H]1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2[C@@](C)(c2ccccc2)O1 13439589 JIXOXKZNTPAKSI-IQMFZBJNSA-N 358.416 5.416 30 1 FKEF CC[C@@H](CCc1ccc(O)c(OC)c1)C/C(S)=N/CCc1ccccc1 13489526 BSFOORGIRVILDL-KRWDZBQOSA-N 371.546 5.321 30 1 FKEF C=C(CC/C=C(\C)CCC=C(C)C)[C@H](O)Cc1c(O)cc(C)c(C=O)c1O 35907034 WQEXSQPMWIFHOZ-IGEMGIOYSA-N 372.505 5.151 30 1 FKEF CCc1c(C#N)c(-c2ccc(-c3cccc(Cl)c3)cc2)c(C(=O)O)n1C 38147772 JPAOOYFLLXHRNZ-UHFFFAOYSA-N 364.832 5.145 30 1 FKEF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCS)CCCC(=O)O 40617219 XFUKUUWWLQMTQF-CGVLYMEPSA-N 364.595 6.763 30 1 FKEF C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C\C=C\c1ccco1 221680234 USRKGXQOIVXCIU-ALZOZDESSA-N 369.877 5.249 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cnc(OCc2ccccc2)cc1C 587908244 ONGGFQYNEHMFQU-UHFFFAOYSA-N 363.844 5.031 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(NC(=O)OC(C)(C)C)cs1 587919314 YZQASLBQFDFUGW-UHFFFAOYSA-N 363.866 5.157 30 1 FKEF CCCCCCCCCCCCCCN=c1[nH]nc(-c2ccncc2)o1 1857632697 YPJBTQNHDUSXND-UHFFFAOYSA-N 358.530 5.667 30 1 FKEF CC(=O)C1=CC[C@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@@]12C 2356515348 KZLRFHAMRYWCOP-WJBLFRSRSA-N 369.593 5.475 30 1 FKEF CCCC=CC(=O)CCCCCCCc1cc(=O)c2ccccc2n1C 2356557945 HIWITXHMTRALHA-UHFFFAOYSA-N 353.506 5.347 30 1 FKEF CCCCCCCCCn1c(-c2ccc(-c3ccccc3)cc2)cnc1N 66113379 MYQHKXHSIXCGHM-UHFFFAOYSA-N 361.533 6.550 30 1 FKEF CC(C)(C)CC(C(=O)Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 68574843 XBHASWGNOFKPKR-UHFFFAOYSA-N 359.285 5.311 30 1 FKEF biogenic CCCCCCCC/C=C/CCCCC[C@H]1Cc2cccc(O)c2C(=O)O1 85966586 GCSUJEGOLAPNMD-GLCJEOIMSA-N 372.549 6.731 30 1 FKEF endogenous,in-man CCCCCCCCCCCCCCCC(=O)C1C(=O)CCCC1=O 109657168 LHLQVKHGDWJTGB-UHFFFAOYSA-N 350.543 5.975 30 1 FKEF biogenic CN(C)CCCCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 144113386 KAPNBNVSRUAOSY-SFQUDFHCSA-N 351.490 5.084 30 1 FKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3C(C)(C)C[C@@H](OC(=O)CC(=O)O)C[C@@]23C)C1 238732987 MMIATMQMKNTNMR-SUUIZWKSSA-N 374.521 5.138 30 1 FKEF CCCCCCCCC[C@@H](C)C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527794 WPAGUMYGNGMGOQ-TZIWHRDSSA-N 370.577 7.066 30 1 FKEF CCCCCCCCCCCCCC=CCCC=C[C@@H](O)[C@H](N)CO 2356517442 KHMOVAZCVMSUTQ-FGZHOGPDSA-N 353.591 5.261 30 1 FKEF CCCCCCCCC=CCCCCCCC[C@]1(O)CC(=O)C=C[C@H]1O 2356540486 ZPYABTHUTGWONW-PKTZIBPZSA-N 364.570 5.645 30 1 FKEF CC1=C2C[C@@]34CC[C@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@@]12C=C[C@H]4[N@@]3C[C@]31CCC2 2356772782 ILVMEIAAPCXAMU-PXNLKHHISA-N 373.584 5.870 30 1 FKEF CC(C)=CCC/C(C)=C/C[C@]1(C)C(=O)C(C)=C(O)C2=C1O[C@H](C)CC2=O 15120585 OEDQLGJPWHJKOM-BRKLXWMCSA-N 358.478 5.122 30 1 FKEF biogenic,in-vitro CCCCCCCCC#CC/C=C\C=C\Sc1ccccc1C(=O)OC 43409058 JERJJYSTRRNMPX-BGILVWQOSA-N 370.558 6.779 30 1 FKEF CCCCCCCC/C=C/CCCCC[C@@H]1Cc2cccc(O)c2C(=O)O1 85966583 GCSUJEGOLAPNMD-LCCNJJIFSA-N 372.549 6.731 30 1 FKEF endogenous,in-man C=CCc1cccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c12 586966007 BGMISGYRDQKEAG-UHFFFAOYSA-N 374.513 5.386 30 1 FKEF N#Cc1ccccc1-c1ccc(CNc2ccc(C(F)(F)F)cc2)cc1 653899221 MOQNDQXOAAWHBR-UHFFFAOYSA-N 352.359 5.856 30 1 FKEF COc1c(C(C)(C)C)cc(C(=O)C=Cc2ccc(O)cc2)cc1C(C)(C)C 2356283970 IWCISAQPZLXZPQ-UHFFFAOYSA-N 366.501 5.892 30 1 FKEF C[C@H](C=O)[C@H]1CC[C@@H]2/C(=C/C=C3CCC4(CC3)OCCO4)CCC[C@@]21C 26644720 FVCXSAIIJRCXNN-IHDASUJXSA-N 358.522 5.208 30 1 FKEF [N-]=[N+]=Nc1ccc(CCCN[C@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 28008487 YRTWRTHAKNPCOO-QUCCMNQESA-N 372.513 5.745 30 1 FKEF O=C(/C=C/c1c(Cl)cccc1Cl)/C=C/c1c(Cl)cccc1Cl 38445482 NIMMFQJPRKQKCE-FIFLTTCUSA-N 372.078 6.596 30 1 FKEF N#Cc1c(-c2ccccc2)c(Nc2cccc(N)c2)n2c(Cl)cccc12 40810650 OSWXULZJEQGTRH-UHFFFAOYSA-N 358.832 5.457 30 1 FKEF CCCCCCCCCCCCCCC(=O)C(=O)NCCCCCC 43307954 JWFCSIJHJPAMQE-UHFFFAOYSA-N 353.591 6.343 30 1 FKEF CCCCC1CCC([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 587428558 JZLSMQJYYXHZTC-DWPYVWNLSA-N 367.489 5.092 30 1 FKEF C=C(C)COc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587485978 XSGJTSPVIDPYIE-NRFANRHFSA-N 352.430 5.006 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)c2cccs2)c1 587920553 HPZCKQWXGOHUGI-UHFFFAOYSA-N 352.842 5.041 30 1 FKEF C=C1CC[C@H](C(C)C)[C@@H]2[C@@H]1[C@H]1CC(C)=CCC[C@@](C)(OC(=O)CCC)[C@H]2O1 2356708329 LKOJWHNRHCEXFU-UELWMSMESA-N 374.565 5.841 30 1 FKEF C[C@@H](c1ccc2oc(-c3ccccc3)cc2c1)N(O)C(=O)c1cccs1 13738959 LMYKQFHWEXWQIL-AWEZNQCLSA-N 363.438 5.754 30 1 FKEF O=C(/C=C/c1cc2ccccc2nc1Cl)c1cccc(Br)c1 71294968 SQCZQDQNHCHUGH-CMDGGOBGSA-N 372.649 5.547 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(OC(=O)CCCCC)cc1)CCC=C(C)C 73199057 XOJMRIBYWMAPTH-HJMGBZSKSA-N 354.534 7.124 30 1 FKEF COc1cc(/C=C2\CCC/C(=C\c3ccccc3Cl)C2=O)cc(OC)c1 95598080 HTECUFCXSIPTNC-YAUBYZHOSA-N 368.860 5.577 30 1 FKEF CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 103522820 GXFFFSMEVLFASJ-ONZPZFSWSA-N 373.880 5.347 30 1 FKEF C=CCc1cccc2nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c12 587052177 KBEBKYSMOULGTH-UHFFFAOYSA-N 374.871 6.287 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(C(C)C)c1 587901285 YKTTYLVBRUOMKE-UHFFFAOYSA-N 363.682 5.634 30 1 FKEF C[C@@H](C=O)CCCCCC[C@H](C=Cc1ccccc1)CCCC=CC(=O)O 2356354823 QLLUYCSALJRPQW-YADHBBJMSA-N 370.533 6.303 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)C=C[C@@H]1O[C@@H]1C(=O)O 2356388626 LOPUOQXRVYARTM-SFTDATJTSA-N 366.542 5.835 30 1 FKEF Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NCC2CCCCC2)c(C)c1 72181591 ULTYQNMTJDEFOQ-UHFFFAOYSA-N 367.493 5.105 30 1 FKEF CCCN(CC1CC1)/C(=N\O)c1ccc(C)nc1Oc1ccc(Cl)cc1 72182721 IKGREQVEVSWODC-NMWGTECJSA-N 373.884 5.094 30 1 FKEF C=C([C@H]1CC[C@@](C)(O)[C@H]2CC[C@](C)(O)[C@H]2C1)[C@H]1CCCCC12CCCC2 85549847 BJIYTQALWHFTJM-UKIFCOJHSA-N 360.582 5.622 30 1 FKEF biogenic,in-vitro CCCCCCC[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207884 OGVTWWFJQFBZEA-QGZVFWFLSA-N 369.508 6.837 30 1 FKEF CCCCCCC=CCCCC[C@@H](CCN)C1(CC(=O)O)CCCC1 2356305576 OJXDYMBOPUDWKQ-FQEVSTJZSA-N 351.575 6.074 30 1 FKEF CC1=C(O)[C@@](C)(Cc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)SC1=O 13553949 QGARMLQCHSHKGT-HSZRJFAPSA-N 366.526 6.058 30 1 FKEF CCC(=O)c1sc(Nc2ccccc2)c(C#N)c1-c1c[nH]c2ccccc12 28714041 LKQRQCVIDSLMSZ-UHFFFAOYSA-N 371.465 6.104 30 1 FKEF C[n+]1cccc2c1c1cc(C#N)ccc1n2CCCCCC1CCCCC1 71281883 ZECNJYHLPZKEMX-UHFFFAOYSA-N 360.525 5.631 30 1 FKEF CCCCCCCCCCCCCCC(=O)C[C@@H]1CC[C@H](CCCC)O1 85879038 FUJUJVSNBVLYTQ-ZEQRLZLVSA-N 366.630 7.775 30 1 FKEF biogenic CCCCCCCCCCCCCCCc1cc(O)cc(OC)c1OC 86040509 ACEDHMFOHMSFCS-UHFFFAOYSA-N 364.570 7.043 30 1 FKEF biogenic CCCCCCCCCCCCCCCCc1c(C(=O)O)ccc[n+]1C 138758009 CHDPLZQUDCFFLD-UHFFFAOYSA-O 362.578 6.233 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)C3=C(CO)CC[C@@H]12 2356794473 HXDMYQBRFKEQKN-JKEOVDNKSA-N 368.561 5.795 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)N(CCC)CCC 43323298 ARFDUWCIKSWPJQ-YPKPFQOOSA-N 365.646 7.673 30 1 FKEF CCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)C(C)(C)C 49881547 RJSHZUSOGQRUED-NRFANRHFSA-N 365.558 7.006 30 1 FKEF CCCC/C=C/COC[C@H](O)COC(=O)CCCCCCCCCC 85835033 AQZFORIMCWMRNP-GUCAUAJOSA-N 356.547 5.184 30 1 FKEF endogenous,in-man C[C@@H]1/C(=N/N=C/c2ccco2)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 103296591 JDHQHTPTHOGYCV-UUEBBXDYSA-N 357.457 5.167 30 1 FKEF COc1cc2ccccc2c(/C=C/C(=O)c2cc3ccccc3o2)c1OC 261177379 VERGEYDBXNHGTK-VAWYXSNFSA-N 358.393 5.499 30 1 FKEF CC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccc(Cl)cc1 473247540 FKXGJEHXPKPHJG-GOSISDBHSA-N 354.862 5.226 30 1 FKEF CCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1CC3 587214377 SXHCLBICTBBABZ-UHFFFAOYSA-N 371.568 7.684 30 1 FKEF CCCCCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812142 IKGASZIOMLZROO-SCLBCKFNSA-N 356.323 5.698 30 1 FKEF C=CC[C@@H](CC/C(C)=C\C=C\CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC 13473230 LUEYTMPPCOCKBX-GMZZFSLLSA-N 373.606 6.367 30 1 FKEF CC(C)N/C(=N\c1nccn1C(C)(C)C)Nc1ccc(Cl)c(Cl)c1 72118152 JMJOOFAWOALQQT-UHFFFAOYSA-N 368.312 5.043 30 1 FKEF N#Cc1ccc(Oc2cc(Cl)ccc2Cl)c(OCc2ccncc2)c1 73165902 ZQWNROKVQYGHET-UHFFFAOYSA-N 371.223 5.631 30 1 FKEF Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(CC(C)C)C1=O 84652030 VKJHQZDHVCGOCJ-WGZDZCCCSA-N 356.516 5.317 30 1 FKEF CCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 104070951 PFJJHTDFOPEZCA-UUZBPDLYSA-N 367.489 5.256 30 1 FKEF Cc1c(F)ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587092075 AOERYEXNURDCNU-UHFFFAOYSA-N 362.248 5.715 30 1 FKEF N#Cc1ccc2c(C(=O)c3sc4cc(Cl)ccc4c3Cl)coc2c1 587279931 VDWYKMTVZXHWLB-UHFFFAOYSA-N 372.232 6.057 30 1 FKEF CC[C@@H](C)CCCCCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356819522 FCOCMZBRGLRFTM-MSOLQXFVSA-N 365.558 5.565 30 1 FKEF CCCCCCC[C@@H]1C=C(Cl)CCN1S(=O)(=O)c1ccc(C)cc1 43562114 QOUQUIOGPJIAFS-GOSISDBHSA-N 369.958 5.241 30 1 FKEF C[C@H]1CC[C@@H](C)N1/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1 72180532 WAONTIKSSFUZFU-BHBGMHPKSA-N 361.445 5.036 30 1 FKEF CCCCCCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 95557202 HXSDZOWDQNQBIY-GFCCVEGCSA-N 359.691 5.797 30 1 FKEF N#Cc1cc(Cl)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074353 TUBHUCXEZDSSDH-QGZVFWFLSA-N 371.271 5.078 30 1 FKEF C[C@@H](C#N)c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587189043 XTGSQQFGINWICQ-VIFPVBQESA-N 360.642 5.273 30 1 FKEF CCCCCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814246 SHHRAQDRJIUAFE-SCLBCKFNSA-N 356.323 5.698 30 1 FKEF C=C(C)[C@@H]1CC=C([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587823265 OUVWIFUZWVAAER-VLXJIEOASA-N 364.302 5.466 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(F)c(C(F)(F)F)c1F 587914117 YTGNETIOLARZDQ-UHFFFAOYSA-N 360.709 5.240 30 1 FKEF CC(=O)OC[C@@H]1O[C@]1(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356523906 JKDTUPIBGMGXAM-KRXUUXHPSA-N 354.575 6.146 30 1 FKEF [N-]=[N+]=Nc1ccc(CCCN[C@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 28008491 YRTWRTHAKNPCOO-ICSRJNTNSA-N 372.513 5.745 30 1 FKEF C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OC2CCCC2)c1 85630075 KYQQRMLMPLYBKY-OPUMOTSWSA-N 374.521 5.103 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCCCC[C@@H](O)CC(=O)CCCCC 86001446 NZLZNQVVYRRAAH-HSZRJFAPSA-N 354.619 7.368 30 1 FKEF endogenous,in-man C[C@@H](SCc1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 586963385 MJRBEQAZWAJECW-LLVKDONJSA-N 372.291 5.191 30 1 FKEF C[C@]1([C@H](C#N)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498651 FLOAOUYCRRKLMF-DENIHFKCSA-N 365.860 5.250 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(C)ccc2c(Cl)c(C#N)cnc12 587911674 MEDDUUSRCAXSPF-UHFFFAOYSA-N 367.235 5.130 30 1 FKEF N#Cc1cc(Cl)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587956285 QKOOUYQKLKJWDX-GOSISDBHSA-N 357.844 5.463 30 1 FKEF CC[C@@H]1C[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@@]4(C)[C@H]3CC[C@@]2(C)[C@H]1/C(C)=N/O 618004539 GIIPSNRPRUJDDZ-WCIUGBFBSA-N 372.553 5.882 30 1 FKEF COc1ccc(F)c(/C=C2\CCC/C(=C\c3cc(OC)ccc3F)C2=O)c1 66165784 PRZCKQUBSPSXFB-WFYKWJGLSA-N 370.395 5.202 30 1 FKEF CCC(CC)N/C(=N\O)c1ccc(C)nc1Oc1ccc(SC)c(C)c1 72141510 FVTSZNCYXLSUGW-UHFFFAOYSA-N 373.522 5.127 30 1 FKEF N#Cc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110172 OMGNXJPNQOHKSF-UHFFFAOYSA-N 369.268 5.063 30 1 FKEF C[C@H]1CC[C@@H](C(C)(C)S)c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208903 FJILYQDDFYONED-SUMWQHHRSA-N 373.521 6.136 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(Br)ncc2ccccc12 587913128 HYDZOWLZOXTZSS-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF CC1(C)[C@H]2Cc3c(nc(O)c(C#N)c3-c3ccc(Cl)cc3Cl)[C@@H]1C2 653718779 DYPQJZDLAWYACJ-XPTSAGLGSA-N 359.256 5.318 30 1 FKEF O=C1C/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1ccc(Cl)cc1 1772582953 RBNUSAGUYOROAL-HNOLQLOCSA-N 350.270 5.341 30 1 FKEF C=CCc1cc(/C=N\c2ccccc2)c(O)c(-c2ccc(O)c(CC=C)c2)c1 1857566997 VJABHFNRDJIXCG-ONUIUJJFSA-N 369.464 5.972 30 1 FKEF CC(C)C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356501557 FFRFYWBYDZTBDQ-GHSKVMHMSA-N 368.605 6.983 30 1 FKEF CC=C(C)C(=O)O[C@H](C)C[C@H]1CCN(C(=O)CCCCCCCCC)C1 2356569509 YPZRRRFUIPYEJJ-WOJBJXKFSA-N 365.558 5.264 30 1 FKEF C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1 64540547 XCVJGMBBWXMECP-YZSQISJMSA-N 352.441 5.057 30 1 FKEF CC1=C2C(=O)O[C@@]1(C)C(C)(C)/C=C(/C)C(=O)/C(C)=C(/C)C(C)(C)C2(C)C 238748051 VBXZKEISSNPXAH-VHQYPBLRSA-N 358.522 5.562 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cccc(NC(=O)OC(C)(C)C)c1 587897947 BGOJYIFWQSYQIS-UHFFFAOYSA-N 371.864 5.290 30 1 FKEF CCCCCCCCC[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973379 KPCOBBTVENYGJO-HZPDHXFCSA-N 373.871 5.399 30 1 FKEF CCCCCCCCn1cc(CN2CCN(CC)CC2)c2cc(F)ccc21 1772626549 IFYOEIBATCQHBH-UHFFFAOYSA-N 373.560 5.278 30 1 FKEF O=C1C2=C(Nc3ccccc3S[C@H]2c2cccc(CO)c2)c2ccccc21 1857614790 ZHNUDCLZYIXJQC-QHCPKHFHSA-N 371.461 5.045 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1c(O)c(O)cc2ncoc12 2356418032 VRCMSDQYPBPHCD-KCHGYLQPSA-N 355.478 5.580 30 1 FKEF CC(C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 2356743202 JSHASXVESQAJJO-KTIOWPBPSA-N 366.589 6.759 30 1 FKEF C=CC[C@H](Nc1ccccc1OC)c1cn(C(=O)OCC)c2ccccc12 28646663 YYAFQEHLKAYUIZ-SFHVURJKSA-N 364.445 5.384 30 1 FKEF CN(C)/C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1 102405568 GIZAYUPIYQTNSL-OCOZRVBESA-N 366.468 5.179 30 1 FKEF CCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@]2(C)C=CC(=O)C=C12 261182777 WLAOFEXUHCVHAH-WPCHUGEVSA-N 354.534 5.670 30 1 FKEF CCCCCCCCCCN1C=CC(=C/C=C2/C(C)=Nc3ccccc32)C=C1 367722003 BRTZIVCNKZVPIA-JLPGSUDCSA-N 374.572 7.586 30 1 FKEF C=C(C)COc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587485980 XSGJTSPVIDPYIE-OAQYLSRUSA-N 352.430 5.006 30 1 FKEF Cc1cccc([C@]2(C[C@H](C)C#N)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508422 VTPACCUNZUPNNG-XDHUDOTRSA-N 359.469 5.284 30 1 FKEF CCCCCCCCC[C@@H](C)CCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356404754 WGGHNDTUKMWTHN-IAGOWNOFSA-N 351.531 5.175 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CCC(C)=CCCC(C)=CCC[C@@H](CO)CC1 2356596085 DVHRFHOKROCIPF-RPBOFIJWSA-N 358.610 7.541 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](C)[C@]2(C)[C@@H]2[C@@H]1C2(C)C)CCC1(CCCC1)[C@H]3CO 2356657717 QWZTZQHELWPSSF-VSQAEOEPSA-N 354.578 6.140 30 1 FKEF O=C(/C=C(\Nc1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccccc1 199266042 HOTKWPLGJNPKDC-ZHZULCJRSA-N 368.263 6.329 30 3 FKEF N#Cc1ccc([C@@H]2C[C@H](n3ccnc3)c3ccc4ccccc4c3O2)cc1 71281921 DUNNACINMFVVPI-VXKWHMMOSA-N 351.409 5.021 30 1 FKEF CCCCCCCN[P@](=O)(OCC)Oc1ccc(C(F)(F)F)cc1 72123425 UZIQZTWLNVWDLX-DEOSSOPVSA-N 367.348 5.789 30 1 FKEF CC(C)=CCc1cc(/C=C/C(=O)c2ccccc2)cc(CC=C(C)C)c1O 95486083 AJYVNFGRSSWURE-NTCAYCPXSA-N 360.497 6.306 30 1 FKEF biogenic,in-vitro Cc1ccc(C)c(OCc2ccccc2C(=NOC(C)C)c2ccon2)c1 472820240 FISQYCPUZIXIRU-UHFFFAOYSA-N 364.445 5.048 30 1 FKEF N#Cc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1C(F)(F)F 587086155 UWMYZHIBDCJIEJ-UHFFFAOYSA-N 372.737 5.322 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(C)cccc1OCc1ccccc1 587901803 TZGDPHJYESBLPO-UHFFFAOYSA-N 362.856 5.636 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(CN(C)c2ccccc2)c1 587904718 VITFYKDGJRJREJ-UHFFFAOYSA-N 361.872 5.385 30 1 FKEF CCCSC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O 27656194 KECSLKZJFNOOFU-BAVLDWNYSA-N 360.563 5.558 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](CO)OC(=O)CCC 238761392 MREZZQPHNQZYKS-OAQYLSRUSA-N 356.591 6.562 30 1 FKEF C=CCOc1ccc(-c2nc3ccccc3c3c2[nH]c2ccccc23)cc1 299859459 HYEOXZOHULSALP-UHFFFAOYSA-N 350.421 6.101 30 1 FKEF C[C@H](C=O)CCCCCC[C@H](C=Cc1ccccc1)CCCC=CC(=O)O 2356354821 QLLUYCSALJRPQW-VXKWHMMOSA-N 370.533 6.303 30 1 FKEF CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@@]12C 2356494602 JKVXXCFZUSFYRI-MEPDHNGWSA-N 369.593 5.475 30 1 FKEF C=CC[C@@H]1Oc2cccc(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493653 UXGUYYJUKZKENF-KRWDZBQOSA-N 351.877 6.624 30 1 FKEF CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1 36079851 YEQJDGNZWPTPII-QFIPXVFZSA-N 356.615 5.653 30 1 FKEF CC/C1=C/C/C=C/C=C\CC(=O)/C=C\CCCCc2cc(=O)cc(o2)O1 166232815 UWMACJXUTXHZFZ-XFKNCCSRSA-N 354.446 5.057 30 1 FKEF C=C(C)[C@H]1CC[C@](C)(OC(=O)/C=C\c2ccccc2)[C@H]2CC=C(C)[C@@H]2C1 238759298 UIUPDHGXUGRZTO-YMWHATGOSA-N 350.502 5.960 30 1 FKEF CCCCCCC[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599962 JMCBEUKMSVTYOW-REWPJTCUSA-N 368.473 5.863 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(OCc2ccccc2)ccc1C#N 587901874 XVFACAHUYIHZJE-UHFFFAOYSA-N 373.839 5.199 30 1 FKEF CCCCCCCCc1ccsc1C#Cc1cc(Cl)ccc1OC 587918878 MDEMAFWJGJUERV-UHFFFAOYSA-N 360.950 6.713 30 1 FKEF CCCCCCCCCCCCCCCC=C1C[C@@](C)(CO)OC1=O 2356488528 PUKKHYJSOBFENT-QFIPXVFZSA-N 352.559 6.092 30 1 FKEF CC(=O)OCc1cocc1[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C=O 2356808059 YKEOLTDVFAPURE-KRXUUXHPSA-N 360.494 5.042 30 1 FKEF CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 36294924 ORVHRBKYJKEGFB-ZKWNWVNESA-N 361.570 5.631 30 1 FKEF CCCCCCCCC(=O)NCc1cc(OC)c(O)c(-c2ccccc2)c1 43470280 JAMXJFOWWYJGRF-UHFFFAOYSA-N 369.505 5.435 30 1 FKEF CCCCCCCCc1c2c(c(C)c3c1Oc1ccccc1O3)C(=O)OC2 43552727 FEFZUZHPHGLRJD-UHFFFAOYSA-N 366.457 6.466 30 1 FKEF Cc1cccc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12 53294856 ILTKJVIFBWMWOJ-UHFFFAOYSA-N 366.424 5.654 30 1 FKEF CCC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccccc1Cl 473248200 LNGLOSYXMGMVEO-LJQANCHMSA-N 368.889 5.616 30 1 FKEF N#Cc1cc(Cl)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587074289 VJCLKPZBWCRSFN-UHFFFAOYSA-N 365.223 5.470 30 1 FKEF CCCCCCCCCCCCCCCCC[C@H](OC(C)=O)C(=O)OC 2356410494 MSCCWJOOROLFCG-NRFANRHFSA-N 370.574 6.353 30 1 FKEF O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)c1ccc3ccccc3c1N2 40913748 CUFSOEZCJUIHDB-OAQYLSRUSA-N 359.856 6.058 30 1 FKEF O=C(/C=C/c1cccc(Cl)c1)c1cccc(Oc2cccc(O)c2)c1 40973374 KVBHXDOZZDZECV-ZHACJKMWSA-N 350.801 5.734 30 1 FKEF COc1ccc([C@@H]2CC(O)=C/C(=N/c3ccc(C)c(C)c3)C2)cc1OC 104697544 BZLNUBKHIRHBQP-BUVGWWEQSA-N 351.446 5.413 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2)cc1C 587899642 DUBFAJQDZREYHO-UHFFFAOYSA-N 362.856 5.636 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(C(F)(F)F)ccc1Cl 587914111 YJEYVVWYDHQMBY-UHFFFAOYSA-N 359.174 5.615 30 1 FKEF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@H]1Cc1ccc(F)cc1 963205077 NAQZJNPSLNZCDX-ZEQRLZLVSA-N 356.444 5.232 30 1 FKEF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 33820821 NFMWHHOYZDYINA-IHMUCKAYSA-N 370.533 5.411 30 1 FKEF biogenic C=CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@@]21C 59789380 DLAROWCGUOELFW-MSGYDIBBSA-N 356.550 5.340 30 1 FKEF in-vitro CCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O 205150568 VAZJHGPTEDCROE-HJWRWDBZSA-N 352.603 8.059 30 1 FKEF N#Cc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1C(F)(F)F 587152973 UAWFVWPMMFAHFL-WDEREUQCSA-N 363.289 5.003 30 1 FKEF CCC(CC)(CCC#N)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587734620 RVJDKMPCKXCDAC-PXAZEXFGSA-N 367.306 5.274 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(Cl)c1C 587901158 YVFFNUKEAXFIAY-UHFFFAOYSA-N 370.073 5.473 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](N)C2CC2)c2ccccc12 587910380 XSFCXMKLUQPXKG-QHCPKHFHSA-N 361.872 5.311 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(F)c1CNC1CCCCC1 587915482 RXRSQVDOAMOFQT-UHFFFAOYSA-N 371.883 5.310 30 1 FKEF CCCCCCCCCC[C@]1(c2ncco2)NCCc2ccc(O)cc21 963352944 NPZBKHXSLWZNKL-QFIPXVFZSA-N 356.510 5.300 30 1 FKEF CC(C)N1[C@@H]2CCCC[C@H]2N(C(C)C)P1(=O)C(=O)/C=C/c1ccccc1 5962905 VNUQDLGNOLYNBK-ICQOZSIZSA-N 374.465 5.165 30 1 FKEF C=CCC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470824 HCASQQRVVZESNK-HXUWFJFHSA-N 361.485 6.369 30 1 FKEF C=CC1=C2COC(C)(C)O[C@@H]3C[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H](CC1=O)[C@H]23 13483177 MJCWWMBIKBQJAG-NPLGLAOASA-N 358.522 5.062 30 1 FKEF biogenic CCCCCCCC/C=C\C/C=C\CCOC(=O)CCCCC(=O)O 43352662 WAKHHWOYSGCKGW-UTJQPWESSA-N 352.515 5.818 30 1 FKEF N#Cc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 64664141 YSFYYMAHFDYIBH-UHFFFAOYSA-N 356.248 5.188 30 1 FKEF Cc1ccc(Oc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1 103293235 VUSSAGMBZSHTSB-HYARGMPZSA-N 359.454 5.843 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccc(C)cc1)N[C@H]2c1ccc(C)cc1 253782679 SYTQKDUUDPBAEW-WQNASHEBSA-N 362.517 5.498 30 1 FKEF C/C=C1\C(=O)C[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]4(C)[C@@H]3CC[C@]12C 263636984 JSUJWYWIDCBKFU-PEFPRTNESA-N 371.609 5.769 30 1 FKEF C=CCCO[C@@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366549 VMAHLOXVEHTPKR-HXUWFJFHSA-N 371.436 5.847 30 1 FKEF C[C@H](CC1CCOCC1)[C@@H]1c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963187734 JHNUBSVHBIIART-BTZRARBUSA-N 374.528 5.303 30 1 FKEF Cc1nc(-c2ccccc2)sc1[C@]1(C)CC(c2ccc(C#N)cc2)=NO1 13660407 WLUPSUNRPXIVEP-NRFANRHFSA-N 359.454 5.030 30 3 FKEF N#CCCn1nc(-c2ccc(OCc3cccc(Cl)c3)cc2)oc1=S 13826715 RQTVHEIGLZYRSH-UHFFFAOYSA-N 371.849 5.019 30 1 FKEF CCCCCCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 95557203 HXSDZOWDQNQBIY-LBPRGKRZSA-N 359.691 5.797 30 1 FKEF COc1ccc(-c2csc(N/N=C/c3ccc4ccccc4c3)n2)cc1 261168626 SLGNFCIBHIKBCQ-LPYMAVHISA-N 359.454 5.418 30 1 FKEF COc1cccc(-c2cc(CC(C)(C)S)nc3c2oc2ccccc23)c1 587364750 GYMYSYQZUWEMHE-UHFFFAOYSA-N 363.482 5.908 30 1 FKEF Cc1cc(Cl)cc2c(C#N)c(-c3ccc(Br)cc3F)[nH]c12 587624599 NVRQCCYIVNZTJZ-UHFFFAOYSA-N 363.617 5.570 30 1 FKEF CCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820106 OWEVITRXWKKFNU-CJNGLKHVSA-N 356.323 5.914 30 1 FKEF Cc1ccc(C(=O)/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587965643 OEECJLRUFMSPHD-VOTSOKGWSA-N 364.754 5.440 30 1 FKEF CCC[C@H](C)CC[C@]1(C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963188784 ASWXAJBDKWWACI-BUUDZMLXSA-N 360.545 6.241 30 1 FKEF C=CC(C)(C)c1[nH]c2cccc3c2c1[C@@H]1[C@H](C#N)[C@@](C)(C=C)CC[C@H]1C3(C)C 2356332537 FVLJNWUXPRLMPE-AEVIGOTDSA-N 372.556 6.748 30 1 FKEF CCC=CCCCCCCCCCCCCC[C@]1(O)CC(=O)C=C[C@@H]1O 2356621883 TYJQNNWWKJMQRK-GOTSBHOMSA-N 364.570 5.645 30 1 FKEF C=CCSCC1=CC(C)(C)Nc2ccc(-c3cc(F)ccc3OC)cc21 14968697 IGKYKALCCDIEDH-UHFFFAOYSA-N 369.505 6.008 30 1 FKEF C/C=C1\[C@H]2C=C(C)C[C@]1(/N=C/C(C)=C/c1ccccc1)c1ccc(=O)[nH]c1C2 45353529 UPNJKBJOFORQKA-ZAKCZKPSSA-N 370.496 5.213 30 1 FKEF C=C1C[C@@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@]2(C)C[C@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23 85547238 LOMCSNMWUADCBX-KBUDFMHNSA-N 358.566 5.495 30 1 FKEF biogenic,in-vitro C=C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](OC(=O)CCC)[C@H]1C(C)(C)CCC[C@@]12C 85697511 CLTOAYZHYUUWJE-PTHABLBFSA-N 374.565 5.985 30 1 FKEF biogenic C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O 85992385 OMNJRQNCWHCCBZ-PWNICVJUSA-N 362.510 5.138 30 1 FKEF CCC1=C(O)c2c(oc(-c3ccc(C)c(F)c3)cc2=O)C(CC)(CC)C1=O 101616095 QCNHUAINWQNMPD-UHFFFAOYSA-N 370.420 5.074 30 1 FKEF CC(C)=CCC[C@@H](C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2Cl)C1=O 102954767 KGVGARQYHQOIRW-CYBMUJFWSA-N 373.880 5.372 30 1 FKEF CCCCCCCCCCCCc1ccc(C(=O)N2CCC[C@@H]2CO)cc1 103275296 RXAYXQOCJGSAFT-HSZRJFAPSA-N 373.581 5.747 30 1 FKEF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587952170 MFVLTBJTZUGOBT-NDGTYSDOSA-N 365.399 5.500 30 1 FKEF Cc1ccc(Nc2cc(C(F)(F)F)c(C#N)c3nc4ccccc4n23)cc1 1857567271 JHLVWZBMXGDGLT-UHFFFAOYSA-N 366.346 5.430 30 1 FKEF COc1ccc(-c2cccs2)cc1/C=C/C(=O)c1ccc2c(c1)OCO2 29315869 LIXWAIBXXNRYRQ-QPJJXVBHSA-N 364.422 5.049 30 1 FKEF O=C1CCCCCCCCCC/C(=N\OCc2ccccc2)CCCN1 103167130 OQPBTEVPQOWRFI-DARPEHSRSA-N 358.526 5.370 30 1 FKEF N#Cc1ccc2c(C(=O)c3ccc(N=Nc4ccccc4)cc3)coc2c1 587278092 DECYFEIUEKQLIW-UHFFFAOYSA-N 351.365 5.951 30 1 FKEF COc1ccc(-c2cccc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c2)cc1 587934936 IIMKLKPDYCTUDM-UHFFFAOYSA-N 359.816 5.431 30 1 FKEF COc1ccc(C/N=C2/NC(C)(C)C3(CCC(C)CC3)S2)cc1Cl 1772578249 RVVMCCNBMUVUSU-UHFFFAOYSA-N 366.958 5.269 30 1 FKEF C=C1[C@H]2CC[C@@](C(=O)CCc3ccccc3)([C@@H]2OC)[C@@]1(C)C1CCCCC1 2356483630 RAUBJYHLZLPOKG-WJNCPCKPSA-N 366.545 5.756 30 1 FKEF C=C1C=CC(C)(C)C[C@H](OC(=O)c2ccc(OC)c(O)c2)CC(C)=CCC1 2356536173 QIUJPXVRSMXFEL-LJQANCHMSA-N 370.489 5.585 30 1 FKEF C=C1CC[C@]2(C)C(C)=C[C@H](OC(C)=O)C[C@H]2[C@@]1(C)CCC(C)=CC(=O)O 2356673314 GEQAFUXTJYVKAK-BLKABHOGSA-N 360.494 5.058 30 1 FKEF C=C(C[C@H](O)CC(C)C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC[C@@H]3[C@](C)(O)CC[C@H]12 2356773449 ZTTPPDZFKVLMFX-IKNZJXHLSA-N 374.609 5.890 30 1 FKEF CC1=CCCC(C)(C)[C@@H]1/C=C/C(=O)/C=C/c1cc(C(F)(F)F)ccc1F 40897974 VXOCWXYAIIJLMS-UCZOTLRVSA-N 366.398 6.366 30 1 FKEF O=C(O)CCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCCC(F)(F)F 71317787 SBQJZSWQMQYGNB-MEMKJMHRSA-N 372.427 5.938 30 1 FKEF CCCCCCCCCCC[C@H](Cc1cc(O)cc(OC)c1)OC(C)=O 86002292 HJXXPBBKMUDUNH-OAQYLSRUSA-N 364.526 5.796 30 1 FKEF biogenic CCCC/C(=C(\c1ccccc1)c1ccc(N=[N+]=[N-])cc1)c1ccccc1 90416451 IQOUXWJLWZCUKZ-VHXPQNKSSA-N 353.469 7.778 30 1 FKEF C=C(c1ccc(C(=O)NO)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 96908149 JGZNQNMCPDBAGR-UHFFFAOYSA-N 363.501 5.525 30 1 FKEF Cc1cc(C)c(C2=C(C(=O)c3ccccc3C)C3(CCCC3)OC2=O)c(C)c1 103183872 ANELZTXDVWEQLH-UHFFFAOYSA-N 374.480 5.426 30 1 FKEF O=C1/C(=C/c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2cc(O)ccc21 169334661 LZEZUROCJRHNQU-JAIQZWGSSA-N 364.784 5.454 30 1 FKEF CCCCC/C(=C\B1OC(C)(C)C(C)(C)O1)[C@@](O)(c1ccccc1)C1CC1 199867323 XSNZEINWEKUKHC-VEYZUFFBSA-N 370.342 5.422 30 1 FKEF CCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603506 PQKSOSCNGCCGCU-TZIWHRDSSA-N 368.473 5.863 30 1 FKEF C=C(C)[C@H]1CC=C(C)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819943 XKICRSWZRAFPJK-WTANOLMUSA-N 364.302 5.250 30 1 FKEF CCC[C@@H]1CC=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 587891077 MKUVHNNDGHYMKN-OAHLLOKOSA-N 364.316 5.182 30 1 FKEF CCCc1ccc(-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1 587906836 URKUOEJSAWIXRD-UHFFFAOYSA-N 360.884 6.368 30 1 FKEF CC[C@@H](C)CCCCCCCCCCCC(O)=C1C(=O)CN(C)C1=O 2356673931 RXRWOJMGCVBNQH-QGZVFWFLSA-N 351.531 5.177 30 1 FKEF O=C(CCCCC#Cc1ccc(Cl)cc1)c1ncc(-c2ccccn2)o1 14980014 VIZMXSRZYDNGKU-UHFFFAOYSA-N 364.832 5.185 30 1 FKEF CCCCCCCCCCCCCCCCc1cc[n+](C)cc1C(=O)O 138757884 DXRZOJNGHZKBMD-UHFFFAOYSA-O 362.578 6.233 30 1 FKEF C=C1CCC[C@@H]2[C@@](C)([C@H](C/C(C)=C/C(=O)O)OC(C)=O)[C@H](C)CC[C@@]12C 169638731 IGGKHPWWCRUXBE-PXTCAXQFSA-N 362.510 5.138 30 1 FKEF COC1=CC(=O)C(O)=C(C[C@@]2(C)[C@@H]3CCCC(C)(C)[C@@]3(C)CC[C@H]2C)C1=O 254209934 ZMWPUCGPHZVIMQ-SGUSRJAOSA-N 374.521 5.140 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(C)cccc1NC(=O)OC(C)(C)C 587901865 XNQXLZBZDMOSMN-UHFFFAOYSA-N 371.864 5.404 30 1 FKEF Cc1cccc2c1CC[C@@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963197929 UMLGBXSAPKLVAS-CLJLJLNGSA-N 364.492 5.308 30 1 FKEF CCC(=O)[C@H](C)C(=O)C(C)=CC(C)=C[C@H](C)C=C(C)C(=O)C(C)=CC(C)C 2356431263 JKSSPGWIWKMCSU-KKSFZXQISA-N 372.549 5.817 30 1 FKEF C[C@H](/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 36408155 AIWMJAGAGKKIFO-JASPGECPSA-N 368.517 5.187 30 1 FKEF CCCCC[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 1857577463 AQUSBQUOURZUPB-QGZVFWFLSA-N 366.505 5.014 30 1 FKEF C=CCC[C@H](C)C(=O)[C@@H](C)C[C@H](C)NC(=O)CCCC(=CCl)CCC 2356594943 MTSIKQYOKFAJKC-BZSNNMDCSA-N 369.977 5.782 30 1 FKEF C=C1CC[C@]2(C)C(C)=C[C@H](OC(C)=O)C[C@H]2[C@]1(C)CCC(C)=CC(=O)O 2356673315 GEQAFUXTJYVKAK-SEIRJHJZSA-N 360.494 5.058 30 1 FKEF COc1ccc(C#Cc2c(-c3ccccc3OC)oc3ccccc23)cc1 61969018 FSKVKLNCVSBUHB-UHFFFAOYSA-N 354.405 5.517 30 3 FKEF Cc1cccc(Oc2nc(Nc3ccc(C#N)cc3)nc3ccccc23)c1 53243427 NQRNOGKKYQGWCH-UHFFFAOYSA-N 352.397 5.346 30 1 FKEF CCCCCC/C=C\CCCCCCCCCCCCCCCC=O 111439450 LPJHUYFFQFPQMY-FPLPWBNLSA-N 350.631 8.563 30 1 FKEF C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 141061112 WTCAGIZCINZHDK-PDYASAKNSA-N 363.545 5.943 30 1 FKEF O=C1C[C@H](c2ccc(Cl)cc2)CC(O)=C1Sc1ccccc1Cl 299830642 XMZUSIPYMLFMIF-GFCCVEGCSA-N 365.281 6.002 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)c(Cl)c(Br)c1 587899816 JKXWYVYBPFYETP-UHFFFAOYSA-N 370.073 5.473 30 1 FKEF CC#CCCCCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 587957254 ULEAWTWIOHQUMD-UHFFFAOYSA-N 354.497 6.776 30 1 FKEF CCCCCCCCCCCC=CC[C@@H](O)COC[C@@H]1COC(C)(C)O1 2356543361 OIDMHVREMLCFQV-NHCUHLMSSA-N 370.574 5.383 30 1 FKEF CC(=O)O[C@@H]1c2oc(cc2C(C)C)[C@H](C)CCC=C(C)CC[C@H]2O[C@@]12C 2356573414 MVULDMBCESYPJZ-BDRMCPCVSA-N 360.494 5.789 30 1 FKEF CCCCCCC=CCCCCCCCCCCCC=Cc1ccco1 2356579799 JTVXBPXORIDQCS-UHFFFAOYSA-N 358.610 9.111 30 1 FKEF C=C1CCC=C(C)CC[C@@H](C(=CCC=C(C)C)COC(C)=O)[C@@H]1C(=O)OC 2356677139 ISIHCFKJFHDLCQ-FCHUYYIVSA-N 374.521 5.314 30 1 FKEF C=C1CCC[C@@]2(C)C=C3C(=C(C)C(=O)N3CCc3c[nH]c4ccccc34)C[C@@H]12 2356806211 VPKBMSCUUZHADP-OFVILXPXSA-N 372.512 5.519 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3ccc4ccccc4c3)C2)cc1OC 36388312 FOTNSXQXIGMOLU-OAQYLSRUSA-N 358.437 5.387 30 3 FKEF C=C[C@@H](O)c1cccc2c(Nc3ccccc3C)c(C(=O)CCC)cnc12 13742259 KUKOSVSPTNAXFG-HXUWFJFHSA-N 360.457 5.489 30 1 FKEF CCCCCCCCCCCCCCCC(=O)C1=C(O)O[C@H](C)C1=O 100871420 IMVFDZRYGILJQR-QGZVFWFLSA-N 352.515 5.794 30 1 FKEF CC1(C)CCc2cc([C@H](C#Cc3ccccc3)N3CCCCC3)ccc2O1 103208405 LIEJLSXSUOOPBN-QHCPKHFHSA-N 359.513 5.369 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 253778928 KKDOWRPMGFXDPU-PCCBWWKXSA-N 354.881 5.059 30 1 FKEF CCCCCCCc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1 587278428 MWCQLFVBMAGKOY-UHFFFAOYSA-N 354.877 6.830 30 1 FKEF CC#CCCCCCCCc1nc2ccc(Br)c(F)c2[nH]1 587956393 ABMBVNJLAZAOBF-UHFFFAOYSA-N 351.263 5.371 30 1 FKEF C[C@@]12CC[C@H]3[C@@H](C(Cc4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 1857560209 VVDWEHROXAUWQZ-SDIXAGHWSA-N 374.524 5.476 30 1 FKEF CSC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)(C)C 28948355 OROXUUVMAWSPJF-CYVLTUHYSA-N 366.621 5.695 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)C 96906275 ICDOJNPCPHBTJM-UHFFFAOYSA-N 355.631 5.632 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC[C@H](O)CO 102186350 NQLZSOFWYPHLBE-QHCPKHFHSA-N 356.635 7.162 30 1 FKEF biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C(C)=O)=C(C)C[C@@H]32)C1 2356708435 PRWWYYCTGGYLJU-VGHKYRARSA-N 372.549 5.476 30 1 FKEF C[C@@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356851748 QJKBUSGUNXZSRG-KXIOBXGISA-N 358.566 5.543 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3ccccc3-c3ccccc3)C2)cc1 36389369 TYCXIZXSFYXPOO-HXUWFJFHSA-N 354.449 5.892 30 3 FKEF C=CCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348585 ADFCHUXXYIALGQ-FYYLOGMGSA-N 368.448 5.785 30 1 FKEF C=C[C@](C)(CCC=C(C)CCC=C(C)C)CC(=O)c1ccc(O)cc1O 2356451464 GRNAGUJNQRJEQR-HSZRJFAPSA-N 356.506 6.336 30 1 FKEF CC(=O)N[C@H](CCCC#CC=CCl)CCCC=CC=C(Cl)Cl 2356730146 KHCZTRMIJAMOLW-MRXNPFEDSA-N 362.728 5.463 30 1 FKEF CCC=CCCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](CCCCCCC)N[C@H](N1)N23 2356871326 XZSKTGNMJSNDED-YSFPZDHXSA-N 361.618 5.324 30 1 FKEF C=C1C(C)=C(C(=O)C(C)C)C(=O)N1c1cc(Cl)c(Cl)cc1Cl 64428864 LWODQSLPONUUAL-UHFFFAOYSA-N 358.652 5.049 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)C(C)C 95584674 FCFWNUVBSVWFHR-GJCOWUBNSA-N 367.618 6.157 30 1 FKEF CCCCCCCCCCCCCC/C=C/CC/C=C/CCCC(=O)O 102182069 OVQSZVCJOZKJGA-LMOVRVBNSA-N 364.614 8.225 30 1 FKEF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C#N)c1ccc(Cl)cc1)CC2=O 587458592 ATAIRIRJYIZUFE-DYESRHJHSA-N 369.848 5.029 30 1 FKEF CC(C)[C@@H]1C[C@]2(CC[C@]3(C(C)C)C[C@H]23)OC2=C1C(=O)C(C)(C)C(=O)C2(C)C 2356339600 QLGACJMERDLYGD-YGQZWTKISA-N 372.549 5.332 30 1 FKEF COc1cc(OC)c(C(=O)C=C(c2ccccc2)c2ccccc2)c(OC)c1 13827308 QAMOATHVTJLIEV-UHFFFAOYSA-N 374.436 5.027 30 1 FKEF C=C1[C@H](C)CCC[C@]1(C)CC[C@]1(C)C=Cc2c(O)c(OC)cc(OC)c2O1 14589308 RHDKGXOTYDFQHO-IEKZBVHVSA-N 372.505 5.736 30 1 FKEF biogenic CCCCC[C@H](/C=C/C#CCCCCCCCCCC(=O)O)OC(C)=O 26578475 KRQKWWGUAXMEBT-BKBDBRRMSA-N 364.526 5.654 30 1 FKEF CC(C)[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1 28901248 JITCFZZJUPHBRG-SANMLTNESA-N 368.524 6.041 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC/C2=C\c1ccccn1 35243323 RGNJSZWUMOCIKE-RHCHAJQRSA-N 361.529 5.997 30 1 FKEF CCCCCCCCCCCCCC[C@H](CO)N(CCCC)CCCC 43552567 BMIRNPGGOJAGRW-XMMPIXPASA-N 369.678 7.341 30 1 FKEF CCCCCCCC(=O)CCCCCCCC(=O)NCCc1ccccc1 85773056 PZEPBYKVXJEXMH-UHFFFAOYSA-N 373.581 6.006 30 1 FKEF biogenic Cc1cccc(C)c1Oc1cc(Nc2ccc(C#N)cc2)[nH]c(=O)c1Cl 103259673 GEVIOOJMABPDFJ-UHFFFAOYSA-N 365.820 5.053 30 1 FKEF CCCCCCCCc1cn(-c2ccc(CCN3CCCCC3)cc2)nn1 103275238 RCNQRSAGBSKGRH-UHFFFAOYSA-N 368.569 5.199 30 1 FKEF N#Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cc1 587628829 RGFRRXIGJSFAJQ-UHFFFAOYSA-N 366.701 5.082 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](C)OCC2CCC2)cc1 587906178 TXAQNMHBVGPRQQ-MRXNPFEDSA-N 354.877 5.626 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cccc(C(=O)O)c2)cc1 587906357 BNYMLZKYFSNMDK-UHFFFAOYSA-N 362.812 5.114 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCCO)C3)CC[C@@H]3CC=C[C@]4([C@H]1C4(C)C)[C@@]23C 2356457008 ZLDLTDUYENLDJB-PLOSJKGYSA-N 352.562 6.060 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)C[C@H]1c1c(O)cc(C=Cc2ccccc2O)cc1O 2356646142 QZIGMIOMEWTNCH-FFZOFVMBSA-N 364.485 6.070 30 1 FKEF CCCCCCCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 14970981 JDJYVQUSVHXJHY-HXUWFJFHSA-N 370.445 5.023 30 1 FKEF COc1ccc(OC/C=C(\C)CC/C=C(\C)C2=CC(=O)C(C)(C)O2)cc1 29551978 VBRIJUINOZMVIL-WXUGCJNMSA-N 356.462 5.009 30 1 FKEF Cc1c(Nc2c(C#N)cncc2-c2cc3ccccc3o2)ccc2[nH]ccc12 45255657 ITOPVUHELOTFOX-UHFFFAOYSA-N 364.408 5.900 30 1 FKEF CCCCCC/C=C\CCCCCCCCCCCCCCC(=O)O 102182063 WJUFVBCUBJGBER-FPLPWBNLSA-N 352.603 8.059 30 1 FKEF C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)COC(=O)c1ccc(Cl)cc1 222891214 SBQXGRMJFZXIMQ-KAGYGMCKSA-N 358.909 6.238 30 1 FKEF CCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@]2(C)C=CC(=O)C=C12 261171807 TWSVBZORGBDMKX-AEUYQLBESA-N 368.561 6.060 30 1 FKEF N#Cc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094573 BZYFQEMMVPBJMC-UHFFFAOYSA-N 355.241 5.139 30 1 FKEF CCCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587100611 MDJVCZALODEUEX-UHFFFAOYSA-N 357.497 6.658 30 1 FKEF CCCCC#Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523404 IJKMXNLFJCPLHS-XMMPIXPASA-N 358.481 5.814 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(C(C)C)cc(C(C)C)cc1C(C)C 587899833 FDAAIQDMYIKCEB-UHFFFAOYSA-N 368.948 7.119 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccnc(C)c2)c(F)c1 587916897 XVCAWRQZDYOSMQ-UHFFFAOYSA-N 351.808 5.258 30 1 FKEF C[C@@H]1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2[C@](C)(c2ccccc2)O1 13439593 JIXOXKZNTPAKSI-CMJOXMDJSA-N 358.416 5.416 30 1 FKEF CCCCCCC[C@H]1CC[C@H](OCCCn2c(C)nc3cnccc32)O1 14263328 FMQIRPQLYMBXFC-GHTZIAJQSA-N 359.514 5.012 30 1 FKEF C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@H]1CSC([C@H]2C[C@@H]2C)=N1)OC 29561399 LUEYTMPPCOCKBX-YUWHJRKSSA-N 373.606 6.367 30 1 FKEF CCCCCCCCCCCCCCOc1ccccc1/C=C(\C)C(=O)O 43920309 CAXDMCLCEKSUKC-QZQOTICOSA-N 374.565 7.254 30 1 FKEF O/N=C(\Nc1ccccc1)c1cccnc1Oc1ccc2ccccc2c1 72101963 GXSRBPNLPXMUBG-UHFFFAOYSA-N 355.397 5.275 30 1 FKEF CCCCCCCCCC(=O)CCCCCCCCCCCCC(=O)O 238732369 FCYRBBZYDFMKSQ-UHFFFAOYSA-N 368.602 7.462 30 1 FKEF CCCCCCC/C=C/Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206172 KMTPJJSCDLCUIS-CMDGGOBGSA-N 369.508 6.905 30 1 FKEF CCCCCCC/C=C\[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587818832 KDIVNFIXLLIJIP-RAJNLYJPSA-N 368.334 6.080 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc([C@H](O)c2ccc(C)cc2)c1 587904566 QGJUYKVNBIMQBU-HSZRJFAPSA-N 362.856 5.139 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)C(=C(C)C=C(CNC3(C)CCCC3)C23CCCC3)C1 2356536832 RJOBPFMLZQOVBA-BWKNWUBXSA-N 367.621 7.108 30 1 FKEF C=C1CCC=C2CC[C@H]3C(=C)CC[C@H]([C@H](C)CCC=C(C)CO)[C@H]3[C@@H]1C2 2356600683 UTURTWRYGLGHFA-GOZZSVHWSA-N 354.578 6.616 30 1 FKEF C=C/C=C/c1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1/C=C/C=C 42878093 QGJBTFJRLPGVDD-XSIURBDDSA-N 354.449 5.502 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C#N)cc3)c2c1 587640174 FLKRBQHQLPADLB-LBPRGKRZSA-N 370.374 5.803 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@@H](OC(C)=O)C(C)=CC(=O)O 2356464358 HHYMHAFBPNXEIC-JPAWQOSXSA-N 362.510 5.138 30 1 FKEF C=C1Cc2cc(C(=O)O)cc(O)c2O[C@@H]1CCC=C(C)CCC=C(C)C 2356471711 XBOKPWYVDNVFMX-HXUWFJFHSA-N 356.462 5.423 30 1 FKEF N#Cc1ccccc1-c1cc(-c2cccs2)cn(-c2ccccc2)c1=O 34054808 VSSVPRRVRYAVQU-UHFFFAOYSA-N 354.434 5.105 30 1 FKEF CCCCCCCCCCCCCCCCNC[C@@H](N)CCCCN 43328165 KMADGIPBKUIAFY-QFIPXVFZSA-N 355.655 5.514 30 1 FKEF CCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1 49767803 RARKABVOBNIVAR-CJLVFECKSA-N 355.438 5.013 30 1 FKEF O=C1CCCCCCCCCC/C(=N\OCc2ccc(F)cc2)CCN1 103167655 LSKVQCOZECIHRA-HIXSDJFHSA-N 362.489 5.119 30 1 FKEF CC1=NC2=C(C(=O)CCC2)[C@@H](c2cccc(Cl)c2)/C1=C(\O)OC(C)C 103522936 NFHGONIRESLTBV-ONZPZFSWSA-N 359.853 5.100 30 1 FKEF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C#N)cc(Cl)c2[nH]1 587114925 ZMGDPDPXUGMKGJ-JTQLQIEISA-N 363.770 5.453 30 1 FKEF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(C#N)c1 587860520 VVVKUQFMWDFMEX-UHFFFAOYSA-N 358.228 5.116 30 1 FKEF CCCCCCn1c(C(=O)/C=C/c2ccc(Cl)cc2)nc2ccccc21 1857773429 WGNPVQIVNOITQE-NTCAYCPXSA-N 366.892 6.166 30 1 FKEF CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)C=C[C@@]45C[C@]35CC[C@@]12C 2356614080 HKEBEMMDBQANKW-MIHKUNMPSA-N 367.577 5.299 30 1 FKEF C=CCC=CCC=CCCCCCCCc1c(O)c(OC)cc(OC)c1O 2356668426 PIAHTJGIQDTXBU-UHFFFAOYSA-N 374.521 6.077 30 1 FKEF C[C@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356851749 QJKBUSGUNXZSRG-PCELAMNMSA-N 358.566 5.543 30 1 FKEF CC[C@@H](CCCCCC#N)CCC(=O)N(c1ccccc1)c1ccccc1 203473063 GDOCHTPBNIAUNG-NRFANRHFSA-N 362.517 6.632 30 3 FKEF CCC[N+]1(C)[C@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 38347707 LNLHXQQVDKSMLL-CNXJLTEQSA-N 373.564 5.684 30 1 FKEF CC(C)c1ccc(N/C(=N\O)c2ccc(Oc3ccc(F)cc3)nc2)cc1 72182690 ZMKLSIUQRUOKFG-UHFFFAOYSA-N 365.408 5.384 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](C)/C=C(\C)C(=O)OC 85642836 VEWBKTMTANDWQA-MRJHHRETSA-N 352.603 7.613 30 1 FKEF C=C1OC(=O)/C(=C\CCCCCCCCCCCCCCCCC)[C@@H]1O 105499420 SQZLNCJQWPKOOM-SUAFWNPMSA-N 364.570 6.606 30 1 FKEF CCCCCC/C=C\CCCCCCCC(=O)Cc1cc(O)cc(O)c1 214188727 MKUILHVVIUZXIN-FPLPWBNLSA-N 360.538 6.467 30 1 FKEF CCCCCCCC/C=C\CCCCCCCc1ccc(OC)c(OC)c1 238745457 PBAQFLUEBPQVLX-QXMHVHEDSA-N 374.609 7.894 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C)c2oc(C(=O)C(C)C)cc2c1 587907324 IYZISFRNNJXDEX-UHFFFAOYSA-N 366.844 5.642 30 1 FKEF CC[C@H]1C[C@H]2C3=CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1772656352 VMLGXFVIHIKDSA-VXDHVZFVSA-N 373.540 6.163 30 1 FKEF CCCC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]nc(F)c3c1C2 34633798 UHZDMCREDJRFHQ-SFHVURJKSA-N 366.358 5.114 30 1 FKEF C=C(/C=C/C=C/C=C(/C)C=C(C)C)Cc1ccc(C(=O)O)c(C)c1C(=O)O 238732972 YEQPHDAWCIUOAW-KRXHEKHDSA-N 366.457 5.515 30 1 FKEF COC[C@H](OCC(C)C)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906152 SEQSJPDHEHECEL-QFIPXVFZSA-N 372.892 5.109 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2nc(C)n(C(C)(C)C)c2cc1F 587917676 OLIGYCUOCPNMRG-UHFFFAOYSA-N 370.855 5.301 30 1 FKEF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc(C#N)c2)(C2CCCC2)N1 962961369 WWZRGEHTASXPSO-CPJSRVTESA-N 369.512 5.398 30 1 FKEF C=CCn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccc1)CO3 49803892 VZVZVHODNNBQKB-UHFFFAOYSA-N 354.453 5.333 30 1 FKEF C/C(O)=N\c1cccc(-c2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1 74385996 KLQRTVGNYVKOQC-UHFFFAOYSA-N 362.820 5.325 30 1 FKEF Cc1ccc(-c2c(C#N)c(N)c(C#N)c3c2S[C@H](c2ccccc2)C3)cc1 95604495 CSPYCGAVQKOSCQ-FQEVSTJZSA-N 367.477 5.377 30 1 FKEF CCCCCCCCCCCCCCCC[C@]1(C)SC(O)=C(C)C1=O 101028532 WQBQVXYZSOOIBG-QFIPXVFZSA-N 368.627 7.722 30 1 FKEF CCCCCCCNc1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217090765 UPQFTLJNMCYHHB-UHFFFAOYSA-N 355.507 5.342 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@]2(C)CCC[C@@]3(C)COC(=O)CC(=O)O)C1 238737496 ADRMEPMWXLEIKU-KJYLGWKASA-N 374.521 5.140 30 1 FKEF CCCCCCCC(=O)c1c(OC)c(Cl)c(OC)c(Cl)c1OC 473087998 HDPLIRGRDMNJKR-UHFFFAOYSA-N 363.281 5.562 30 1 FKEF C=CCc1cccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c12 587044446 BMTIOIMYFIFRFX-UHFFFAOYSA-N 363.244 5.282 30 1 FKEF COc1ccc2c(c1)C(C#CC(C)(C)C)(C#CC(C)(C)C)N(C(C)C)CC2 962089359 HYLHSTIXYVHRDR-UHFFFAOYSA-N 365.561 5.256 30 1 FKEF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC#N)c1ccc(C(F)(F)F)cc1 963242395 PQUMLVSQYWXNFX-HRAATJIYSA-N 372.434 5.519 30 1 FKEF C[C@H](C=O)CCCCCCCCC[C@H](C=CC(=O)O)Cc1cccc(O)c1 2356774027 PFMPFULBSCQREW-VQTJNVASSA-N 374.521 5.538 30 1 FKEF C=C1CC[C@@H]2[C@H](C1)c1c(cc(CCCCC)c3c1OCCC3)OC2(C)C 26284123 HTVMMXJRLZDFOW-VQTJNVASSA-N 354.534 6.355 30 1 FKEF C[C@H]1CCCC/C1=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 101220358 KRIKEQPXWUJINC-JEPWKTLESA-N 354.306 6.095 30 1 FKEF Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)ncc2[N+](=O)[O-])c(C)c1 103256019 XDOMLOGIWRZAND-UHFFFAOYSA-N 374.400 5.323 30 1 FKEF C=C1C[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 141094442 KOECGXCSNRFNMX-WRUJZFPBSA-N 359.513 5.773 30 1 FKEF CCCCCCCSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344224 KJSNNKBWTXQJLG-GEDXQHRXSA-N 368.583 5.685 30 1 FKEF CC(=O)O[C@]1(C)CCC/C(C)=C/CC[C@]2(C)O[C@H]2C(=O)C(=C(C)C)CC1 238730770 QRIAHPSWAQTBHB-LHZPWLOLSA-N 362.510 5.062 30 1 FKEF CCOc1ccccc1-c1cccc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c1 587780089 LJEWWUNQPVEBCL-UHFFFAOYSA-N 374.831 5.216 30 1 FKEF CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C=C\C(=O)CCC(=O)OC 1857752073 LFPDUKVPMXDRGO-BVYVNWCGSA-N 356.506 5.816 30 1 FKEF CCCCCC#CC#Cc1cc(O)c(CCCCCCCCCC)c(O)c1 100302121 SIKKSDHUYNQRBH-UHFFFAOYSA-N 368.561 6.716 30 1 FKEF biogenic Cc1ccc(Sc2ncccc2C(=O)c2coc3cc(C#N)ccc23)cc1 587279005 CULLKGNBTXSAIM-UHFFFAOYSA-N 370.433 5.390 30 1 FKEF CC(C)(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884622 OQOZRCQSUXJQGQ-UHFFFAOYSA-N 374.311 5.001 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Sc2ccc(C=O)o2)cc1 587918977 DHBVQWMAMCTQFG-UHFFFAOYSA-N 368.841 5.305 30 1 FKEF CCCCC=CC#CCCCCCCCCCN(C)CCN(C)C(C)=O 2356377955 QZCVTRHBWDJFFK-UHFFFAOYSA-N 362.602 5.267 30 1 FKEF CCCCCCCC/C=C\CCCCCCC[C@H](Cc1ccccn1)OC 2382218385 ZVCBPIUCOPNHDM-VBKSFVIKSA-N 373.625 7.677 30 1 FKEF O=C1C=C(c2cccc3c2sc2ccccc23)C[C@@H](c2ccc(F)cc2)C1 36389311 CGUTYDBLDJUVIZ-MRXNPFEDSA-N 372.464 6.724 30 3 FKEF CCCCCCCC/C=C\CCCCCCC(C)(C)C(=O)c1ncco1 43938755 UIQYHSVDCXHKSQ-QXMHVHEDSA-N 361.570 7.531 30 1 FKEF in-vivo C=CC/C=C\C/C=C\CCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 44387696 FGWRUVXUQWGLOX-AFJQJTPPSA-N 358.478 5.290 30 1 FKEF in-vitro CN1[C@H]2CC[C@@H]1CC(=NO[C@@H](Cc1ccccc1)c1ccc(Cl)cc1)C2 49035604 DYSNSNPTBCOPJB-BDTNDASRSA-N 368.908 5.253 30 1 FKEF CSc1ccc(/C=C/c2c(C#N)c(=O)oc3ccc(Cl)cc23)cc1 71316638 BQEXGIQTEFKTCX-XBXARRHUSA-N 353.830 5.210 30 1 FKEF CCCCCCCCCCCCCOC(=O)CCCCCCCCC 141086704 JFOWPZXGNKSOTH-UHFFFAOYSA-N 354.619 7.981 30 1 FKEF C[C@@H](C#N)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622384 MGGCANNSODUEPC-JTQLQIEISA-N 365.234 5.101 30 1 FKEF CCOc1ccccc1-c1cccc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c1 587779717 FEJYMKLORFZAIH-UHFFFAOYSA-N 373.843 5.821 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(Br)cc1F 587915613 QMZXZMZCIZFWSU-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF CN(C)c1ccc(C(=O)/C=C/C2=Cc3c(ccc4ccccc34)OC2)cc1 1857621221 KWMIWBDCGVZNCI-NTUHNPAUSA-N 355.437 5.121 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CCc2cccc(O)c2C1 42965728 GAISVAHSMVVFDI-QFIPXVFZSA-N 359.598 6.540 30 1 FKEF CCCCCCCCCCCCCCCCCCCNC(=O)[C@H](N)CO 43462976 KKCMNVBNYLMEFM-OAQYLSRUSA-N 370.622 5.074 30 1 FKEF CCCCCCCCCCCCN1C(=O)/C(=C/C(=O)O)c2ccccc21 49881791 KNQCBYWMBIZBBA-HTXNQAPBSA-N 357.494 5.422 30 1 FKEF C[C@]12C=CC(=O)C=C1C1(CC1)C[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12 141076601 TWCKCVMGTLFGIN-WRUJZFPBSA-N 371.524 5.773 30 1 FKEF CC[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 299846338 KVABVPFNUZZHGO-ZVZCIUSKSA-N 359.537 5.294 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 587903994 YDGXESAYCCAODH-UHFFFAOYSA-N 370.920 6.049 30 1 FKEF CC(=O)C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356647612 CIPWTUUCAJDQRQ-SJBQZFOSSA-N 368.561 5.916 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](C)[C@]2(C)[C@@H]2[C@@H]1C2(C)C)CCC1(CCCC1)[C@@H]3CO 2356657716 QWZTZQHELWPSSF-URJYJRGJSA-N 354.578 6.140 30 1 FKEF CC(C)CC[C@@]1(c2ccccc2)CC(=O)C(Sc2ccccc2)=C(O)O1 13766450 GWPDSFFTDMKDBL-QFIPXVFZSA-N 368.498 5.827 30 1 FKEF CCCC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O 102824079 WGSDNUGDMNQTLN-KQWNVCNZSA-N 365.458 5.147 30 1 FKEF O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1cc(Cl)sc1Cl 103223243 IBVSDHBVCWMKFZ-RMKNXTFCSA-N 366.313 5.941 30 1 FKEF [N-]=[N+]=NCc1ccc(/C=C2\CC/C(=C\c3ccc(CN=[N+]=[N-])cc3)C2=O)cc1 103234286 BJNWGTZVQIDYPT-AYKLPDECSA-N 370.416 6.137 30 1 FKEF biogenic CCCCCCCCCCCCCCC/C(O)=C1\C(=O)CN(C)C1=O 154546939 ZMXNXJXFLSQPHF-ZZEZOPTASA-N 351.531 5.321 30 1 FKEF CCCCCCCCCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587489552 PEVNHUWCAPVELA-IBGZPJMESA-N 374.565 6.990 30 1 FKEF CC(=O)O[C@@]1(C)CCCC(C)=CCC[C@@]2(C)O[C@@H]2C(=O)C(=C(C)C)CC1 1857742592 QRIAHPSWAQTBHB-BHIFYINESA-N 362.510 5.062 30 1 FKEF CC(=O)OCC[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356506331 ALTBXZDGDFVFGO-JDUWRPTASA-N 358.522 5.088 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC=C(C)CCC=C(CO)CCC=C(C)CC1 2356561407 CEAIUZINKITJML-RUZDIDTESA-N 356.594 7.461 30 1 FKEF C=C(C)CCC[C@]1(C)C2=CCC[C@](C)(CC(=O)c3ccoc3)[C@H]2CC[C@H]1C 28826883 USBHMLWFMWAOFS-UCRBNFBUSA-N 368.561 7.378 30 1 FKEF CCCCCCCCCCCCCCCCC[C@]1(O)C[N+](C)(C)CCO1 36079861 XJAQZUGYACCSJN-HSZRJFAPSA-N 370.642 6.043 30 1 FKEF C=C1COc2cc([C@H](C)[C@@H](C)CCCCC)cc(O)c2[C@H]2C=C(C)CC[C@@H]12 40720176 XSVGNKMGHGRMPZ-TZEULACYSA-N 368.561 7.101 30 1 FKEF CCCCCCCCCC[C@H]1[C@@H]2C[C@H]3C=C[C@@H](C(=O)OC)[C@@H]4C=C[C@H]1[C@H]2[C@@H]43 59085528 ILBLNWRALCTWGL-LYDSDTOKSA-N 370.577 6.177 30 1 FKEF C=CCc1cc(C=O)c(OCC)c(-c2ccc(OCC)c(CC=C)c2)c1 72118640 KFNPJPJPUVRWQA-UHFFFAOYSA-N 350.458 5.421 30 1 FKEF Cc1nn(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1Cc1ccc(F)cc1 73297195 ANRVJQZMCWCTRO-UHFFFAOYSA-N 373.353 5.110 30 1 FKEF C/C(O)=N\c1ccc(-c2nnc3ccc(-c4cccc(C(C)C)c4)cn23)cc1 74387379 VFZYVOIEJUVMAG-UHFFFAOYSA-N 370.456 5.795 30 1 FKEF CCCCCCCCCC[C@@]1(C)SC(O)=C(Cc2ccccc2)C1=O 101391845 WYBJQZNECNAVTJ-JOCHJYFZSA-N 360.563 6.604 30 1 FKEF C=C(C)[C@H]1CC[C@@H](C)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100653 NVDJPZZPDPTDNW-GDBMZVCRSA-N 353.465 6.312 30 1 FKEF C=C[C@]1(C)CC[C@]2(C)[C@H](CC[C@]3(O)[C@@H]2CCC[C@@]3(C)COCC(C)=CC)C1 2356437347 OZVOQLQAPWZOIF-QRCODTGVSA-N 374.609 6.299 30 1 FKEF CCCCCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H](C(=O)OC)C=C[C@@H]4C[C@@H]1[C@@H]2[C@@H]43 2356664790 ILBLNWRALCTWGL-XRQUXUPDSA-N 370.577 6.177 30 1 FKEF CCc1c(N(O)/C=C\C(=O)c2ccc3ccccc3c2)ccc2ccccc12 53224019 UEENXJCCJYWOSD-NXVVXOECSA-N 367.448 6.148 30 1 FKEF C[C@@H](c1cc(Cl)nc(Nc2ccc(C#N)cc2)n1)c1c(F)cccc1F 73297749 HLSWJSYORADGNF-NSHDSACASA-N 370.790 5.175 30 1 FKEF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 119285665 FFRFYWBYDZTBDQ-MZXJRKPGSA-N 368.605 6.983 30 1 FKEF endogenous,in-man C=CCc1cccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c12 587020342 OCUBKDZISZZVEE-UHFFFAOYSA-N 361.470 5.302 30 1 FKEF C[C@@H](C#N)C[C@@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507157 UQYMWQWOFQQOPC-CMJOXMDJSA-N 363.432 5.115 30 1 FKEF CC(C)C1=CC[C@H](CSc2nc3ccccc3s2)[C@@]12C=CC(=O)CC2 653807434 CKGNZJWBYYMRFO-VFNWGFHPSA-N 369.555 5.896 30 1 FKEF CCCCCCCCn1ccc2ccc(OCCCN3CCCCC3)cc21 1857633107 HYGZKTUYXGZLTM-UHFFFAOYSA-N 370.581 6.257 30 1 FKEF CCCCCCCCCCCCCCCCNCCCP(=O)(O)O 84536192 YHDAWQLKEJHZMN-UHFFFAOYSA-N 363.523 5.625 30 1 FKEF CCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 85836640 BLVJLLJNXHHQIN-UHFFFAOYSA-N 364.526 6.264 30 1 FKEF biogenic Cc1ccc([C@H]2CC(O)=C/C(=N/c3[nH]nc(C)c3-c3ccccc3)C2)cc1 103530061 MKQXEPDCNBOHHV-ICBALBMBSA-N 357.457 5.786 30 1 FKEF COc1ccc(Cl)cc1/N=C/C1=C(O)C[C@@H](c2ccccc2)CC1=O 104706447 VLPUOJWOYJYHJO-LVCXCXRVSA-N 355.821 5.010 30 1 FKEF C=C1CCC[C@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OCC)C1=O 141865287 KHYSBNREYPBDKG-FKXOCBLWSA-N 372.505 5.060 30 1 FKEF O=C(/C=C(O)/C=C/c1c[nH]c2ccccc12)/C=C/c1c[nH]c2ccccc12 169675053 QAOLAYKNCTVYOA-NRXVDTAASA-N 354.409 5.387 30 1 FKEF C=CC[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824838 ZCUOBFGGHJTVIN-WRSAYESZSA-N 352.291 5.084 30 1 FKEF C/C(=N\Nc1nc(-c2cc3ccccc3o2)cs1)c1cc2ccccc2o1 2382231345 TYKATTFPEPPDEI-YDZHTSKRSA-N 373.437 6.139 30 1 FKEF CC(C)(C)c1ccc2c(c1)C#Cc1cc(C(C)(C)C)ccc1OCCCO2 1656712 WNMBNXHDUUIEJB-UHFFFAOYSA-N 362.513 5.843 30 1 FKEF C=C(/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CCC(=O)O 28333692 CNPCDLWATHZKFZ-JDPCYWKWSA-N 354.534 7.105 30 1 FKEF C=C(CCCCCCCCCC)C(=O)Nc1cc(Cl)cc(Cl)c1 44324234 WEJHRIHCJIHCAX-UHFFFAOYSA-N 356.337 7.019 30 1 FKEF CCC(CC)N/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1 72185895 XPAPMVJBKVEFJT-UHFFFAOYSA-N 355.482 5.220 30 1 FKEF Fc1ccc(C(F)(F)F)cc1/N=N/Nc1cc(C(F)(F)F)ccc1F 169312064 UOXDAPAHFVWGFU-UHFFFAOYSA-N 369.215 6.113 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCCO)C3)C[C@H](CCO)[C@H](C)[C@]2(C)[C@H]2[C@@H]1C2(C)C 2356367079 WBGLQINEGPNURX-HEEYOLJESA-N 372.593 5.359 30 1 FKEF CC(=O)OCC[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356506328 ALTBXZDGDFVFGO-CLWFVZRMSA-N 358.522 5.088 30 1 FKEF CCCCCCCC1c2c(c(C)c(C)oc2=O)Oc2c(C)c(C)oc(=O)c21 38146124 DIOWEVQNGUPGDU-UHFFFAOYSA-N 372.461 5.425 30 3 FKEF C[C@H]1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2[C@](C)(c2ccccc2)O1 13439595 JIXOXKZNTPAKSI-WNSKOXEYSA-N 358.416 5.416 30 1 FKEF CCCCCCC[C@@H]1CC[C@H](OCCCn2c(C)nc3cnccc32)O1 14263326 FMQIRPQLYMBXFC-WIYYLYMNSA-N 359.514 5.012 30 1 FKEF CON=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(F)cc1)N(C)[C@@H]2c1ccc(F)cc1 71329266 NSZMRWRFDNGLBW-ZIEJVCCYSA-N 370.443 5.111 30 1 FKEF C[C@H]1CC[C@H](C)N1/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1 72180533 WAONTIKSSFUZFU-GJWAYKALSA-N 361.445 5.036 30 1 FKEF CCCCCCCCCCCCn1cc(CCCN(C)C)c2ccccc21 84724424 DDDHNLPKPGGXRF-UHFFFAOYSA-N 370.625 7.056 30 1 FKEF CCCCCCCC/C=C/CCCCCCCc1cccc(O)c1C(=O)O 85529936 NRSDQEWAMHRTMK-MDZDMXLPSA-N 374.565 7.280 30 1 FKEF endogenous,in-man Cc1cccc(C)c1Oc1cc(Nc2ccc(C#N)cc2)ncc1[N+](=O)[O-] 103256017 YSPMFZOJNNFZIT-UHFFFAOYSA-N 360.373 5.014 30 1 FKEF CCCCCCCCCCCC[C@H](CCC)Oc1ccc(C(=O)O)cc1 169344844 AFCDMOHRMAECRT-NRFANRHFSA-N 362.554 7.243 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)c(F)c1Cl 587914054 UZSPLALOUXPYBT-UHFFFAOYSA-N 363.137 5.560 30 1 FKEF O=C(O)C#Cc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 1857656095 JZAKMPLKYUFCQQ-UHFFFAOYSA-N 362.812 5.022 30 1 FKEF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2C[C@@H]3O[C@]3(C)C[C@@H]2[C@H]2O[C@@]12C 2356717323 OVEGDGKHYKKMJM-DBCHNHPCSA-N 370.533 5.021 30 1 FKEF CC1=CC(C)(C)Nc2ccc(-c3sc(C#N)cc3Br)cc21 24611165 CSRWPEVBPMBABI-UHFFFAOYSA-N 359.292 5.657 30 1 FKEF C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13 34226626 RGADTGZXHGYDQJ-LFHBMCRUSA-N 353.550 5.053 30 1 FKEF CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cccc(C#N)n3)cc2)n1 49087900 MVQMDJWCPZYYJP-UHFFFAOYSA-N 358.489 5.107 30 1 FKEF N#Cc1c[nH]c(C(=O)Nc2ccc(-c3ccccc3)cc2C2=CCCCC2)n1 53313303 AWFIHKUWCIHUJW-UHFFFAOYSA-N 368.440 5.158 30 1 FKEF C=CCn1c(/C=C/CCCCCCCCCCC)cc(=O)c2ccccc21 71296136 BOMFDIYDXZRZKJ-SAPNQHFASA-N 365.561 7.122 30 1 FKEF CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3cccc(O)c3)C2=C(O)C1 82230178 WZDOJHAGMONOCR-LJQANCHMSA-N 365.473 5.206 30 1 FKEF CCC[C@@]1(c2ccccc2)CC(=O)C(SCCc2ccccc2)=C(O)O1 100901330 QPNOGUPAZQJISU-QFIPXVFZSA-N 368.498 5.374 30 1 FKEF C=C1/C=C/C(C)(C)[C@H](OC(=O)c2ccc(O)c(OC)c2)CC/C(C)=C/CC1 102037906 WCPPMAAKIAIVQU-KJSZBKDJSA-N 370.489 5.585 30 1 FKEF CC1=NC2=C(C(=O)CCC2)[C@H](c2cccc(Cl)c2)/C1=C(\O)OC(C)C 103522930 NFHGONIRESLTBV-GMQRBVGNSA-N 359.853 5.100 30 1 FKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CCC[C@](C)(COC/C(C)=C/C)[C@@]3(O)CC[C@@H]2C1 238751288 OZVOQLQAPWZOIF-DEDZIVLSSA-N 374.609 6.299 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccccc1NC(=O)OC(C)(C)C 587898681 OYINLCOLCSPLCH-UHFFFAOYSA-N 371.864 5.290 30 1 FKEF CCCCCCCCCCCCCCCCC[C@H](O)Cc1ccccn1 2382253490 XAQFSSZZWQCALZ-DEOSSOPVSA-N 361.614 7.247 30 1 FKEF CCCCCCCCc1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1 103277929 WRFAYIHBYRYGGM-OAQYLSRUSA-N 371.471 6.386 30 1 FKEF C=C/C(C)=C/C[C@@H]1C(=C)CC[C@H]2[C@@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)C(=O)OC 238749894 DAAOHIJBEDBLLK-DJIUSAIXSA-N 374.521 5.002 30 1 FKEF CC[C@H](C)c1ccc2[nH]c([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(C#N)c2c1 587644084 ZPVRPYPSMWHJKE-GOEBONIOSA-N 367.493 5.277 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C)c(OCc2ccccc2)c1 587903512 HVUMJPIDBBIXCB-UHFFFAOYSA-N 362.856 5.636 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)OC(C)(C)C)s1 587920734 MLUQQVXMIYEMJN-UHFFFAOYSA-N 363.866 5.157 30 1 FKEF CCCCCCCCC[C@]1(C)c2ccsc2CCN1Cc1cccn1C 962372821 JXTNAVSUMKKTJX-HSZRJFAPSA-N 372.622 6.501 30 1 FKEF Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(C(F)(F)F)cc2)n1 29126012 XXCWFCSFROWMCJ-UHFFFAOYSA-N 368.280 5.080 30 1 FKEF CCCCCCCNc1ccc(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 64559438 INIYPOPUKFVZSV-VXKWHMMOSA-N 369.936 6.709 30 1 FKEF CCCCCCCOCP(=O)(CCCCCCC)CCCCCCC 68600296 WHMHNMVBQBUUDP-UHFFFAOYSA-N 374.590 8.235 30 1 FKEF biogenic C[C@@H](C1N=CC=N1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932797 RMALHIYLKVZMFX-IHMUCKAYSA-N 366.549 5.252 30 1 FKEF CC(C)N(CC[C@H](O)c1ccc2ccccc2c1)Cc1cccc(C#N)c1 145179210 JHHQUVJLRLMFQY-DEOSSOPVSA-N 358.485 5.046 30 1 FKEF O/N=C(\COc1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 473128581 CJPLAGHSDPHGQS-WJTDDFOZSA-N 353.421 5.764 30 1 FKEF Cc1ccc(SCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C)c1 586962898 BXLFWLPTXGBWNS-UHFFFAOYSA-N 361.392 5.363 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@H]([C@@H](C)CCC=C(C)CO)[C@@H]3[C@H]1C2 2356634579 JPWFNNHZPMNWHM-MLHDVUGYSA-N 354.578 6.761 30 1 FKEF CCCCCCCCCCCCCC(=O)[C@@H]1OC(=O)c2c(OC)cccc21 58603100 LOROFEJSVCVGJM-JOCHJYFZSA-N 374.521 6.177 30 1 FKEF C#Cc1ccc2c(c1)Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100347 HGVMQCIZQVMHRE-UHFFFAOYSA-N 357.412 5.307 30 1 FKEF N#Cc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1C(F)(F)F 587106784 LVKCRVZAUJGDRN-UHFFFAOYSA-N 369.268 5.063 30 1 FKEF CCCc1ccc([C@@]2(CC#N)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587471063 YJVPBVVILCQFCD-HSZRJFAPSA-N 363.457 5.072 30 1 FKEF C=CCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC 587521496 DBKWBLHNAIOAQZ-QHCPKHFHSA-N 362.469 5.399 30 1 FKEF CCC(CC)(CCC#N)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587728680 APTVWYGPKZUDFF-SJKOYZFVSA-N 367.306 5.274 30 1 FKEF C=CCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810938 DUGCQMOSUPDAAC-XOBRGWDASA-N 374.297 5.332 30 1 FKEF CC(C)c1ccc(/C=N/NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 1911573949 AOSOTFGBGGINRW-SSDVNMTOSA-N 365.424 5.149 30 1 FKEF CCCCCCCCCCCC[C@@H]1C[C@H]1CCC[C@H](O)C#CC#CCO 2356432704 JOHTYJMIIFZAKY-WXFUMESZSA-N 360.582 5.464 30 1 FKEF C=CCCC=CC=C(C)C[C@H](C)C=CC=CC[C@@H]1C[C@H](O)[C@@H](C)[C@](C)(O)O1 2356541488 UMSAZVWWNPZQBE-ZSXJVMONSA-N 374.565 5.478 30 1 FKEF CCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)cc1 66105037 WIIKXQILVXTUNL-KNTRCKAVSA-N 360.538 6.650 30 1 FKEF CCCCCCCC[C@]1(O)OC(=O)c2c(OCc3ccccc3)cccc21 84689866 XSJKOMDWFNLRSZ-QHCPKHFHSA-N 368.473 5.332 30 1 FKEF CCCCCCCCCCCCCC(=O)NCC(=O)c1cccc(C)c1 95580045 GDLNPPSORXXMQL-UHFFFAOYSA-N 359.554 5.995 30 1 FKEF CCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 103223591 WAIOPAFLVSNAHV-UHFFFAOYSA-N 350.499 5.572 30 1 FKEF CCCCCCCCCCOC(=N)NC(=N)Nc1ccc(Cl)cc1 105397619 RQIQJOOLKNLCDV-UHFFFAOYSA-N 352.910 5.368 30 1 FKEF C=C[C@@](C)(CC[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C)OC(C)=O 238745394 KJYGPSIJPCJCAC-PLSULTGPSA-N 362.510 5.138 30 1 FKEF COc1cc(C)c(OC)c(C/C=C(\C)CC(=O)/C=C(\C)CCCC(C)=O)c1 238755695 HBQWICVKEPKIDG-VMHPKHSQSA-N 372.505 5.166 30 1 FKEF COc1ccc(C2(C(=O)c3coc4cc(C#N)ccc34)CCCCC2)cc1 587278782 KWDIOSPDXRSXRJ-UHFFFAOYSA-N 359.425 5.398 30 1 FKEF C#CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC=C 587524463 REJDOXWBPDZAOL-DEOSSOPVSA-N 372.464 5.012 30 1 FKEF C=C(C)[C@@H]1CC(C)=C[C@@H](c2c(O)cc(CCCCCCCC)cc2O)C1 2356316572 XNWBVPHEGZLIRK-NHCUHLMSSA-N 356.550 7.017 30 1 FKEF C=C1CC[C@@H]2C(C)(C)C[C@H](OC(C)=O)C[C@@]2(C)[C@@H]1CCC(C)=CC(=O)O 2356585594 VMWOMELLRUSCGH-JYLXEMOASA-N 362.510 5.138 30 1 FKEF CC(C)Cc1ccc([C@H](C)/C=C2\CC[C@@H](CN3CCCCC3)C2=O)cc1 1626153 ZKLVNVLQZNFKHL-APGJMXBWSA-N 353.550 5.380 30 1 FKEF CC(C)=CCC[C@@H](C)/C=C/C=C(\C)C(=O)CC[C@@H]1CC[N+]2(C)CCCC[C@H]12 6002965 XVHGEQZLPUATNX-NWMNUPINSA-N 372.617 6.240 30 1 FKEF CCCCCCCCCCCCCCC[C@H](C)CCCCCCCCC 138471686 RHENQGFBBBFHIL-AREMUKBSSA-N 366.718 10.245 30 1 FKEF CCCCCCCCCCCCCCCC(=O)C(F)(F)P(=O)(O)O 169323549 JSOSWRUKPRQITC-UHFFFAOYSA-N 370.417 5.807 30 1 FKEF CCCON=C(c1ccon1)c1ccccc1COc1cc(C)ccc1C 472820250 QZYKIMFWEWBOGI-UHFFFAOYSA-N 364.445 5.049 30 1 FKEF CCCc1c(O)ccc2c1O[C@](CCCC#N)(c1ccc(C)cc1)CC2=O 587469893 PTKRBAIEGOTQBP-QHCPKHFHSA-N 363.457 5.208 30 1 FKEF CCCCCCC/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587818830 KDIVNFIXLLIJIP-KBWBKQHASA-N 368.334 6.080 30 1 FKEF CC(C)CCCCCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356645778 DOKONNWENRHBTP-KRWDZBQOSA-N 351.531 5.175 30 1 FKEF Cc1cc2c(cc1C)NC1(CCCCC1)/C(=N/Cc1cc(F)cc(F)c1)N2 46152937 MYYSHXCWQZWZBM-UHFFFAOYSA-N 369.459 5.721 30 1 FKEF CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 103995801 OEPQXMHOAAXKKN-UQNFDQQLSA-N 373.880 5.492 30 1 FKEF CCCCCCCCC/C=C\CCCCCCCCCCCCCO 218351625 OIFFIGASLZKVBQ-KHPPLWFESA-N 352.647 8.357 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H]1[C@@H](CC#N)C1(C)C 587626336 SMNUKRHZYADCQZ-BMIGLBTASA-N 374.328 6.167 30 1 FKEF C=C1CC([C@]2(C3CCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587821194 TUZGWRPCJSTPSY-BLVKFPJESA-N 364.302 5.084 30 1 FKEF CCCCCCC=CCCC[C@@H](CCCC(=O)O)CNC1CCCCC1 2356369532 XUAFPZFWJUVQQE-NRFANRHFSA-N 365.602 6.477 30 1 FKEF CCCCCCC=CCCCCCCCCCCCc1cc(O)cc(O)c1 2356456529 IFIOXWORGZJDKV-UHFFFAOYSA-N 374.609 8.068 30 1 FKEF C#CCOC(=O)Nc1ccc(C)c(-c2nc3cc(Cl)ccc3s2)c1 29233243 VEBRUEIBAZULIB-UHFFFAOYSA-N 356.834 5.107 30 1 FKEF COC(=O)CCCC#CC#CCCCCCC/C=C\C=C\Br 34648244 FNTJNYUUZXUSJG-WRKNTWFWSA-N 365.311 5.142 30 1 FKEF COc1ccc2c(OC)ccc(/C=C/C(=O)c3cc4ccccc4o3)c2c1 261193304 ZZNLOWNLKLCDFQ-YRNVUSSQSA-N 358.393 5.499 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(C)sc(-c2ccccc2)c1C 587918924 NPTBMCDWXCABGD-UHFFFAOYSA-N 352.886 6.094 30 1 FKEF CCCCCCCCCCCCCC=CC(=O)C[C@@H](O)COC(C)=O 2356420530 DSLYZXQQSWFUHY-OAQYLSRUSA-N 354.531 5.127 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)[C@H](CC(C)=CC(=O)O)OC(C)=O 2356544907 IGGKHPWWCRUXBE-BFBKCIDESA-N 362.510 5.138 30 1 FKEF Cc1ccc(C(=NNc2ccc(Br)cc2)c2ccccc2)cc1 2356582346 FWTVFAXAPVBUFH-UHFFFAOYSA-N 365.274 5.622 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@@H]1OC(C)=C3C(=O)OC(C)(C)[C@@H]4CC[C@]12[C@H]34 2356790383 FMYRDMFDPRCQQF-NFHRIRBSSA-N 368.517 5.330 30 1 FKEF COc1ccc(C(=O)C2=C(c3ccc(OC)cc3)CCc3ccccc32)cc1 39309870 RYZVMISRXMPIJD-UHFFFAOYSA-N 370.448 5.444 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccccc1C)N[C@@H]2c1ccccc1C 169320367 HVSOWXGRFNTGEQ-RZJQCGGOSA-N 362.517 5.498 30 1 FKEF C=C1/C=C\C(C)(C)[C@H](OC(=O)c2ccc(O)c(OC)c2)CC/C(C)=C\CC1 169336989 WCPPMAAKIAIVQU-WGQDXTJLSA-N 370.489 5.585 30 1 FKEF C=CCc1cccc2nc(-c3cccc(-c4ccccc4OCC)c3)[nH]c12 587780457 UWBVJHNHZCMUEZ-UHFFFAOYSA-N 354.453 6.024 30 1 FKEF N#Cc1ccc2c([C@H](C[N+](=O)[O-])c3cccs3)c(-c3ccccc3)[nH]c2c1 1857578396 HBOPEEJOMPTPGH-QGZVFWFLSA-N 373.437 5.177 30 1 FKEF C=C(C(=O)O)[C@H]1CC=C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1 14686775 YIBKNWRFOJURQA-LYWSQKMHSA-N 372.549 6.542 30 1 FKEF CCCCCCCCCCCCCCCc1cc(C(=O)OC)c(N)s1 210667935 GJMAGPQRVXWZSI-UHFFFAOYSA-N 367.599 6.751 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)c(C(F)(F)F)c3)c(C#N)c2c1 587642845 WMQDUJHVYZWLTP-NSHDSACASA-N 360.354 6.378 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(O)cc1)CC/C=C/C(=O)OCc1ccccc1 653737588 HDSDOGLLAJVKTB-ZNIJPJGOSA-N 362.469 5.678 30 1 FKEF CN(CC#Cc1ccc(-c2ccccc2)cc1)Cc1coc2ccccc12 1772584484 PUGPHBDCZHQSLJ-UHFFFAOYSA-N 351.449 5.583 30 1 FKEF C#CC=CCCCC#CCCCCC#CCCCCC#CCCCCCC 2356755747 PGEJKFKAMOWOBK-UHFFFAOYSA-N 362.601 7.448 30 1 FKEF CCCc1cc(C#N)sc1-c1ccc2c(c1)C1(CCCCC1)C(=S)N2 13488912 PAUBJWRHNISXMR-UHFFFAOYSA-N 366.555 6.194 30 1 FKEF CCCCCCCC(=O)Nc1ccc(OCc2cc(C)cc(C)c2)cc1 95555824 JWQBUGUIWZYRQT-UHFFFAOYSA-N 353.506 6.181 30 1 FKEF C=CCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCC=C)cc3)C2=O)cc1 96926967 IEOXESADPSITEP-KSTNYAOJSA-N 372.464 5.646 30 1 FKEF N#C[C@H](C(=N)Sc1ccccc1N)c1cccc(Oc2ccccc2)c1 169718026 NDSXVFBSQKTNEZ-SFHVURJKSA-N 359.454 5.438 30 1 FKEF C=C/C=C/C=C/CCCCCCCCCCC/C=C/CCCCCCCC 238743627 SFGKQTHNONYLAQ-MCJAQZIYSA-N 372.681 9.883 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(S)cc2)cc1 587919036 PNNRAQYBIMLQAK-UHFFFAOYSA-N 350.870 5.704 30 1 FKEF CCCCCCC=CCCCCCCCCCc1cc(O)cc(OC)c1 2356549573 AAKAGTMRUVKJKR-UHFFFAOYSA-N 360.582 7.591 30 1 FKEF CC=C1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)C=C[C@@]45C[C@]35CC[C@@]12C 2356614079 HKEBEMMDBQANKW-JFBJCANZSA-N 367.577 5.299 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@H]([C@H](C)CCC=C(C)C(=O)O)[C@@H]3[C@H]1C2 2356670826 DSRGCYPGONKDIL-JRCMHKENSA-N 368.561 6.853 30 1 FKEF C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC 3811292 LUEYTMPPCOCKBX-RLAAQAFRSA-N 373.606 6.367 30 1 FKEF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccc(N=[N+]=[N-])cc3)CC1)C2 40395769 HZIHDGDKBOALCX-ZNLUXHQJSA-N 367.541 5.397 30 1 FKEF CCCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 103993760 SWYHMWWPLQPXGU-HBFAPYFHSA-N 367.489 5.537 30 1 FKEF CCCCSC1=C2CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]3[C@]2(C)CCC1=O 253684130 JWJVSQSPSJHDRJ-PIILPAQDSA-N 374.590 5.948 30 1 FKEF C=CCOc1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587460946 HVOWDSYUAQOSAE-FQEVSTJZSA-N 372.848 5.269 30 1 FKEF COc1ccc([C@H]2c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)c1 963209427 WUGZPBXWGJOPIZ-RPBOFIJWSA-N 368.480 5.216 30 1 FKEF CCCCCCCCCCCCCCCC(=O)NCc1ccc(C)cc1 43706032 QFTRYIXEFSLRLU-UHFFFAOYSA-N 359.598 7.093 30 1 FKEF N#Cc1ccc(Nc2nc(Oc3ccc(Cl)cc3)c3ccccc3n2)cc1 53294113 FQRJTDGHSGQGEM-UHFFFAOYSA-N 372.815 5.691 30 1 FKEF CCCCCCC/C(C)=C\C(=O)O[C@H](C)CCCC/C=C(/C)CC(=O)O 96085816 GUGWWNGSTOHWGD-URPOWGDTSA-N 366.542 6.206 30 1 FKEF CCCCCCC[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587402498 DOYMYLCIXONNHB-HSZRJFAPSA-N 351.490 5.798 30 1 FKEF N#Cc1c(-c2c[nH]c3ccc(Br)cc23)[nH]c2cccc(F)c12 587632972 UCAJKJZLHOEOSV-UHFFFAOYSA-N 354.182 5.089 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(OCc2ccccc2C)c1 587904918 DIAKSYLQJCPUBV-UHFFFAOYSA-N 362.856 5.636 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCc1occc1COC(C)=O 2356727686 RKLNNMGJYWCKNZ-LSWJPFSZSA-N 358.522 6.074 30 1 FKEF C=C1C[C@]2(CC[C@@H](CCCO)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C 85547262 NRYDVRYMFVCPIJ-UVXLSESSSA-N 358.566 5.495 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCCCC/C=C/C=C\C(=O)NCC(C)C 85663579 LMZPUHBJSQVRHE-LUTIZCDDSA-N 363.630 7.352 30 1 FKEF CC[C@H](C)n1ccnc1/C=C1\CCC/C(=C\c2nccn2[C@H](C)CC)C1=O 103250921 ZHMBDSATUDSMDI-FINGRAAZSA-N 366.509 5.242 30 1 FKEF C=C1CC[C@H]2/C(C)=C/C[C@H]3[C@@H](C(C)C)[C@H](O)C[C@]3(C)[C@H](O)/C=C(\C)CC[C@H]12 238733985 OHABHHQPUHXDEY-DIYYVOFQSA-N 372.593 5.666 30 1 FKEF N#Cc1ccc(-c2csc(COc3ccccc3-c3ccccc3)n2)cc1 587921504 ALDXXFLHEAEARV-UHFFFAOYSA-N 368.461 5.928 30 1 FKEF C=C[C@@]1(CCCCC)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962964320 ZZTAAZPYYNQULO-FQEVSTJZSA-N 367.455 5.318 30 1 FKEF N=C(C[C@@H](O)c1cc2ccccc2c2ccccc12)N/N=C/C1CCCCC1 1772605682 WKXHAJRWJIQRRK-VUEBRRCKSA-N 373.500 5.549 30 1 FKEF CCC1=C[C@H]2CC[C@@]34C[C@]35CC[C@H](N(C)C)[C@@H](C)[C@@H]5CC[C@H]4[C@]2(C)CC1=O 1857614208 FZNSVZYBOBCGOE-BMHPGVKDSA-N 369.593 5.475 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)c(O)cc2nc(C)oc12 1857630479 HQVKBFVHTCPCPN-CYBFYLQESA-N 369.505 5.889 30 1 FKEF O=C1C=Cc2ccccc2/C1=C/Nc1ccccc1-c1nc2ccccc2[nH]1 103981225 ZEAHBSWAUVGINH-CYVLTUHYSA-N 363.420 5.279 30 3 FKEF C=C1CC[C@@H]2[C@@H](C1)c1c(cc(CCCCC)c3c1OCCC3)OC2(C)C 13606335 HTVMMXJRLZDFOW-WOJBJXKFSA-N 354.534 6.355 30 1 FKEF CN1[C@H]2CC[C@@H]1CC(=NO[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C2 49525767 XIMUYEKYRAKSDP-BDTNDASRSA-N 368.908 5.253 30 1 FKEF CCCCCCCCOc1ccc(NC(=O)Oc2ccccc2F)cc1 49757518 PHBVHSXINCCZDW-UHFFFAOYSA-N 359.441 6.176 30 1 FKEF in-vivo CCCCCCCN1CCc2c(c3cc(Br)ccc3n2C)C1 71341717 INWWMMIGDWWTQU-UHFFFAOYSA-N 363.343 5.269 30 1 FKEF CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)OC(C)C 103523018 WAIRJXGVIYLEQU-CIJMEZBMSA-N 359.853 5.100 30 1 FKEF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@@H]2C[C@@H]3C(C)=CC(=O)[C@H]3C(CO)=CC[C@H]21 238738692 CFKQOOWPLGFWHM-XDRWJTPDSA-N 354.534 5.261 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccccc1C)N[C@@H]2c1ccccc1C 253733893 HVSOWXGRFNTGEQ-MPXBBRPJSA-N 362.517 5.498 30 1 FKEF O=C1CCCC2=C1[C@H](c1c[nH]c3ccccc13)c1c(ccc3ccccc13)O2 299835641 MFHMKMZOTZOHBQ-XMMPIXPASA-N 365.432 5.853 30 1 FKEF CCOC1=CC(=O)C2=C(C[C@H]3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]3(C)C2)C1=O 2356799420 UKZZXHRGEFTKRE-DVJXIFHOSA-N 370.533 5.398 30 1 FKEF O=C(O/N=C1/CCC/C1=C\c1ccccc1)c1ccc(Cl)c(Cl)c1 5888059 SXDUFHVPFVDDDD-UAXFXBOISA-N 360.240 5.774 30 1 FKEF C=CC[C@@]1(CCC)C(=O)S[C@](C)(CCCCCCCCCC)C1=O 38154627 SPAGNSNRICBDQI-RTWAWAEBSA-N 352.584 6.481 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCC[C@@H](O)C#CC#CCO 86040224 NKDFAYUSKHUVJW-HAAQQRBASA-N 374.609 6.164 30 1 FKEF CCCCCC/C=C\CCCCCCCC(=O)c1coc2ccccc12 587280712 UKJYIRYWFUPSDO-FPLPWBNLSA-N 354.534 7.873 30 1 FKEF COC1=CC(=O)C(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O 1857628934 KJYPJQDAWLIIJG-OUBUNXTGSA-N 356.506 5.794 30 1 FKEF C=CC(C)(C)c1c(OC)oc(C=CC(C)=Cc2[nH]ccc2Cl)c(C)c1=O 2356629109 QXYOCNYNBSRUJN-UHFFFAOYSA-N 373.880 5.519 30 1 FKEF COc1c(C(C)(C)C)cc(C(=O)/C=C/c2ccccc2)cc1C(C)(C)C 12922942 YJEOQYXOARWCLD-BUHFOSPRSA-N 350.502 6.186 30 1 FKEF CCCCCCCSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 43450453 KJSNNKBWTXQJLG-CQQPJZOMSA-N 368.583 5.685 30 1 FKEF CS/C(=N\C(=N\c1ccc(C)cc1)c1ccccc1)N1CCCCC1 53186474 BNGLWDXYGWKPON-JKZRTEGISA-N 351.519 5.278 30 1 FKEF Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)c(N)cc2N)c(C)c1 53243626 PJOSQTWBCPNUKU-UHFFFAOYSA-N 358.445 5.184 30 1 FKEF C=C[C@H](C)CC[C@@H](CC[C@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191700 BZFIQKGXWZTFQC-NDBXHCKUSA-N 350.675 8.910 30 1 FKEF CCCCCCCCCCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170152056 FCFRRIGVRPSQAC-UHFFFAOYSA-N 358.375 6.059 30 1 FKEF C=C(C)[C@@H]1CC/C(C)=C/CC/C(C(=O)O)=C/CC/C(C)=C\[C@@H]1OC(C)=O 238760339 UEZWBWGIEOHSAA-JXEVISSMSA-N 360.494 5.368 30 1 FKEF C[C@@H]1CCc2sc(-c3nc4cc(C(F)(F)F)c(C#N)cc4[nH]3)cc2C1 587032762 AGJHFHWQOAHPQP-SECBINFHSA-N 361.392 5.307 30 1 FKEF N#Cc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063803 XZGCQMQFWGQKIU-UHFFFAOYSA-N 359.816 5.334 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2ccc(Cl)cc2)n1 587910543 HDVRYEIFPRHHRG-UHFFFAOYSA-N 354.236 5.464 30 1 FKEF C=CCC(C)(C)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587954381 RPAMSLLLVGSMTE-UHFFFAOYSA-N 367.424 5.086 30 1 FKEF O=C1C(C2=Nc3ccccc3N[C@H](c3ccccc3)C2)=C(O)c2ccccc21 910834 NODCKXRSGMZTQL-FQEVSTJZSA-N 366.420 5.482 30 1 FKEF biogenic C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@@H]4[C@@H](C=C[C@@H]4C)/C(C(=O)O)=C/C[C@H]3[C@H]12 34081026 XYGOQXIIYXSIFJ-WVARIMJDSA-N 368.561 6.254 30 1 FKEF O=C1/C(=C/C2CCCCC2)S/C(=N\c2ccccc2)N1c1ccccc1 40401205 KBGMUPLVSBHKCC-GAADFGEESA-N 362.498 5.918 30 1 FKEF CCN(/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1)C(C)C 72103294 CKXFTQNZYWDGAN-ATJXCDBQSA-N 355.482 5.172 30 1 FKEF C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O 85994363 AAPGEKMDLXBUBL-RBESUQPCSA-N 364.526 5.219 30 1 FKEF C=C(C)[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(OC)CC[C@]21C)CC 2356400469 ABMLEQSWYRYDQS-XEAGOBSMSA-N 358.522 5.433 30 1 FKEF CCCCCCCCC(C)=CCCCCCCCC(=O)OC[C@@H](O)CO 2356699904 NVYGLIYHVMMTJQ-NRFANRHFSA-N 370.574 5.310 30 1 FKEF CCCCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 14970977 JDJYVQUSVHXJHY-FQEVSTJZSA-N 370.445 5.023 30 1 FKEF in-vivo Cc1ccc2nc(N/N=C\c3ccc(Oc4ccccc4)cc3)sc2c1 82158253 NFTLQGMKILMMDO-HMAPJEAMSA-N 359.454 5.843 30 1 FKEF O=C1CCCCCCCCCC/C(=N/OCc2ccc(F)cc2)CCN1 103167653 LSKVQCOZECIHRA-GFMRDNFCSA-N 362.489 5.119 30 1 FKEF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C#N)c1ccc(Cl)cc1)CC2=O 587458594 ATAIRIRJYIZUFE-LAUBAEHRSA-N 369.848 5.029 30 1 FKEF Cc1ccc2c([C@@]3(CC#N)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587523806 HZQFUCHBKWWMRV-XMMPIXPASA-N 370.452 5.130 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2)cc1F 587916921 YOKGYDSQNCMUIH-UHFFFAOYSA-N 366.819 5.467 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C=O)s2)s1 587920832 NVHCXADECWPMIY-UHFFFAOYSA-N 358.871 5.351 30 1 FKEF Fc1ccc(-c2csc(N/N=C/c3cc4ccccc4s3)n2)cc1 1857567677 QFBSLEHFHKSPSM-KEBDBYFISA-N 353.447 5.610 30 1 FKEF O=C(O)C#Cc1ccc(-c2ccc(O)c(C3C4CC5CC(C4)CC3C5)c2)cc1 2356339850 YXYPJFFEXDWOOM-UHFFFAOYSA-N 372.464 5.035 30 1 FKEF CCCC[C@H](C)CCCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356789635 DNXKNCGWAAYKPA-ROUUACIJSA-N 365.558 5.565 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C)=CC[C@@H]12 2356794856 LMVLXXBDZWFCKB-NTUKNIGUSA-N 352.562 6.679 30 1 FKEF N#Cc1ccc(NC(=O)O[C@@H]2CCC23CCC(c2ccccc2)CC3)cc1 96019293 IXWUXQFUTLAUJB-YUVVGHDESA-N 360.457 5.613 30 3 FKEF CCCCCCCC(=O)O[C@@H]1CC[C@]2(C)C(=C1C)C(=O)O[C@H]2c1ccoc1 103206796 MSZFJGOERCKUEN-PIPMEXSNSA-N 374.477 5.266 30 1 FKEF C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC(C)(C)CC(C)=O 238752997 XMGIBLOLCCXDOM-CSGUBPAMSA-N 362.554 5.724 30 1 FKEF Cc1cc(Cl)cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 586911217 WNZIQEDJXXAPJA-HXUWFJFHSA-N 374.912 5.174 30 1 FKEF Fc1cc(F)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 587093254 KSAPTPZMHJFKTO-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF CCCCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658098 FVOUHEBTYDEIIM-UHFFFAOYSA-N 366.436 5.203 30 1 FKEF COc1ccc(/C=C/c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1 587905639 COXYJKDZXWPDEJ-VMPITWQZSA-N 374.867 5.927 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ncc(C(F)(F)F)cc1Cl 587914107 YGMBSTCOGZFCLD-UHFFFAOYSA-N 360.162 5.010 30 1 FKEF CCCCCCCCn1cc(CN2CCC(C)CC2)c2c(F)cccc21 1772651734 NPZSUCCKIXHNCC-UHFFFAOYSA-N 358.545 6.373 30 1 FKEF CCCCCCCCCCCCCCCc1cc(O)c(Cl)c(O)c1 1857751017 AFWZLQOBVFSKMF-UHFFFAOYSA-N 354.962 7.385 30 1 FKEF CCCCCCC=CCCCCCCCCCCCCCCCC=O 2356615841 LPJHUYFFQFPQMY-UHFFFAOYSA-N 350.631 8.563 30 1 FKEF CC(C)CC[C@@H](C)CCCCCCCCCC(O)=C1C(=O)CN(C)C1=O 2356810636 AZUCUDLNTXMXHE-SFHVURJKSA-N 365.558 5.423 30 1 FKEF O=[N+]([O-])c1ccc(-c2csc(N/N=C\c3cccc4ccccc34)n2)cc1 95573029 LCJCYYLXXBYUGI-MTJSOVHGSA-N 374.425 5.318 30 1 FKEF CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 169333011 LITALIXFZJINEA-PXCIATODSA-N 370.443 5.159 30 1 FKEF Fc1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109674 IYSFNWDFZVEETA-UHFFFAOYSA-N 362.248 5.330 30 1 FKEF N#Cc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1F 587144883 QLQLZOYLTAGQBV-UHFFFAOYSA-N 373.231 5.278 30 1 FKEF COc1ccc(Cl)cc1C#Cc1csc(NC(=O)OC(C)(C)C)c1 587918636 BNJMWBVDGDBMNQ-UHFFFAOYSA-N 363.866 5.157 30 1 FKEF CCC1=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCC=C(C)C)O[C@@H]2[C@H]1O 2356332348 BMDMRPRGJZSKOI-ZRBLBEILSA-N 358.522 5.213 30 1 FKEF C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C)OC(C)=O 2356552252 KJYGPSIJPCJCAC-HVYFLLBWSA-N 362.510 5.138 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)CCC[C@@]32C)[C@H]1CCC(C)=CCO 2356576328 WJTRDGPQMBTDGG-JKNIEJROSA-N 374.609 5.891 30 1 FKEF N#Cc1ccc(Nc2nc(Oc3ccc(F)cc3)c3ccccc3n2)cc1 53243191 DRCFHWSGKOBYPQ-UHFFFAOYSA-N 356.360 5.176 30 1 FKEF CC#CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255260934 QIVWKKGISABDKH-AMBZHESRSA-N 354.578 5.976 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C(Cc4ccccc4)=CC4=CC(=O)CC[C@]43C)[C@H]1CCC2=O 261179904 VVDWEHROXAUWQZ-DWXCWOAGSA-N 374.524 5.476 30 1 FKEF S=C(N/N=C/c1cccc2ccccc12)Nc1cccc2ccccc12 1857656484 SPGHPDBBGZQZMZ-HZHRSRAPSA-N 355.466 5.314 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CCC(C)=CCCC(C)=CCC[C@H](CO)CC1 2356596084 DVHRFHOKROCIPF-LOSJGSFVSA-N 358.610 7.541 30 1 FKEF C=C1C=CC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc(C(=O)OC)ccc1O 2356800332 PYHPBXCXBLBMJC-NZILNVENSA-N 354.490 5.296 30 1 FKEF CC1(C)CCC(C)(C)c2cc(C(=O)/C=C/c3cccc(C(=O)O)c3)ccc21 27985511 IAJXZOLHMAHRBH-DHZHZOJOSA-N 362.469 5.630 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1c1c(O)cc(C(C)(C)CCCCCC)cc1O 28569456 IRHTZHGXQIWQNQ-JBACZVJFSA-N 372.593 7.442 30 1 FKEF CCCCCCC[C@H]1C=C(Cl)CCN1S(=O)(=O)c1ccc(C)cc1 43562115 QOUQUIOGPJIAFS-SFHVURJKSA-N 369.958 5.241 30 1 FKEF CC(C)(C)c1ccc(-c2ccn3c(CC(F)(F)F)cnc3c2C#N)cc1 45351043 VODBIEFPGCSQCF-UHFFFAOYSA-N 357.379 5.275 30 1 FKEF CCCCCCCC/C=C/CCCCCCCCCc1cccc(O)c1 86046898 NOVOJQIJWPCYHO-MDZDMXLPSA-N 358.610 8.362 30 1 FKEF C=CCC(C)(C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587954367 QXAZLPSJCOYTCH-UHFFFAOYSA-N 363.177 5.078 30 1 FKEF CC[C@@H]1C[C@@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@]4(C)[C@H]3CC[C@@]2(C)[C@H]1/C(C)=N/O 618004533 GIIPSNRPRUJDDZ-BRYMGJMZSA-N 372.553 5.882 30 1 FKEF CCCCCCCCC=CCCCCCCCCCc1cc(O)ccc1O 2356416836 HINGBIMWJGZPEP-UHFFFAOYSA-N 374.609 8.068 30 1 FKEF CCCCCCCCCC=CCCCCCCC(=O)c1c(O)cccc1O 2356481621 WBXXVNCMCIJAIX-UHFFFAOYSA-N 374.565 7.318 30 1 FKEF CC(C)c1ccc2[nH]c(O)c(/N=N/C(S)=N/CCc3ccccc3)c2c1 13120604 AHVAXYFSGAHXDA-WCWDXBQESA-N 366.490 5.609 30 1 FKEF CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc(Br)cc2)c1 96905770 YVKKTAWVSYNRHR-JLHYYAGUSA-N 372.306 5.187 30 1 FKEF Cc1cccc(/N=C/c2[nH]c3ccc(Br)c(Cl)c3c2O)c1 101530943 WSFNRHXDVPZJBI-UFWORHAWSA-N 363.642 5.348 30 1 FKEF CC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)OC(C)C 103523012 WAIRJXGVIYLEQU-FBKQIBBUSA-N 359.853 5.100 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@H](c1ccccc1)c1cccc(Cl)c1)C2 253809512 RULAVIRWRLNNKW-PCCBWWKXSA-N 354.881 5.059 30 1 FKEF Fc1c(F)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(F)c(F)c1S 587135082 RUYMXWIAXJELMB-UHFFFAOYSA-N 366.261 5.094 30 1 FKEF Cc1ccccc1[C@@H](C#N)c1[nH]c2cccc(F)c2c1Cc1ccccc1 587635296 JMLLMGQZMATATC-HXUWFJFHSA-N 354.428 5.862 30 1 FKEF CCCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817372 BIPXOOKXWUZDMK-YOEHRIQHSA-N 370.350 6.304 30 1 FKEF N#CCCc1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)cc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c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095369 VKTRKLYOSYOGCO-UHFFFAOYSA-N 370.296 5.996 30 1 FKEF N#Cc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587127997 DXFVUQXXIFDIQI-UHFFFAOYSA-N 352.369 5.163 30 1 FKEF CCCc1ccc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587502945 GTCKXJWBDDIEKI-DEOSSOPVSA-N 359.469 5.292 30 1 FKEF C[C@@H]1C[C@H]2C3=CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 1772649979 MXQCNYCGJBPYDN-JRABLQPUSA-N 357.497 5.549 30 1 FKEF CCCCCCCCC=C[C@@H](CCCCCCCCCCCC)C(=O)O 2356340760 XJXROGWVRIJYMO-QHCPKHFHSA-N 366.630 8.305 30 1 FKEF C=C(CNC(=O)CCCCCCCCCCCCCCCC)C(=O)O 2356801944 RVISEBVPDRPAQT-UHFFFAOYSA-N 353.547 5.615 30 1 FKEF CC[C@H](CCCCCC#N)CCC(=O)N(c1ccccc1)c1ccccc1 203473108 GDOCHTPBNIAUNG-OAQYLSRUSA-N 362.517 6.632 30 3 FKEF CCCCCCCCCCC#CCOCc1ccc(CCCC(=O)O)cc1 43394203 GOEPHERCGFFDHZ-UHFFFAOYSA-N 372.549 6.145 30 1 FKEF CCC/C=C/C(=O)CCc1cc(CCCOC)c(O)c(OC2CCCC2)c1 85625200 AIJCIWFJSPLSAX-BJMVGYQFSA-N 374.521 5.151 30 1 FKEF biogenic,in-vitro COc1ccc(/C(O)=C/C=N/c2ccccc2C(=O)c2ccccc2)cc1 104697778 NYGDVGXQMPINRF-QEPGBLDRSA-N 357.409 5.228 30 1 FKEF COC(=O)CCC/C=C/CCCCCCCCC#C/C=C\Br 169621999 RJHPNNYGRMJAPM-MZGZWARZSA-N 369.343 5.919 30 1 FKEF O=C(O)CCC/C=C/CCCCCCCCC#C/C=C\Br 238758314 GLVCRWQIQQDOLB-SWSLMZJYSA-N 355.316 5.830 30 1 FKEF CON=C1[C@H]2CC(C)C[C@H]1[C@H](c1ccccc1F)N[C@H]2c1ccccc1F 253992291 VLDQNJVVDNGNJN-FNVYCAHHSA-N 370.443 5.015 30 1 FKEF C=CCCCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812923 LZSCHFPDHDAMCY-UGSOOPFHSA-N 354.307 5.474 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(C(=O)c4cccc(OC)c4)cc3)nc12 587930003 FDNFWYRDQFOXGO-UHFFFAOYSA-N 368.436 5.198 30 1 FKEF C[C@@H](c1ccc2oc(-c3ccccc3)cc2c1)N(O)C(=O)c1ccccc1 13738951 FONLIUWCOLJQCM-INIZCTEOSA-N 357.409 5.692 30 1 FKEF C=CC[C@@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)=C(C)C1=O 26824889 RSBMBCFAQZUHFQ-INXLJQPQSA-N 354.490 5.584 30 1 FKEF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(C/C=C/CCCC#N)cc1OC2(C)C 27754008 PIWZORIYICBPSG-BJAZZSIWSA-N 351.490 5.796 30 1 FKEF CCCCCCCCCCCCCCn1c(-c2ccccc2)cnc1N 66112469 HIZMUQYBHNKJPE-UHFFFAOYSA-N 355.570 6.833 30 1 FKEF Cc1cccc2c1CC/C2=N\Nc1nc(-c2ccc(Cl)cc2)cs1 84756709 WDISNYXJXOAXDC-OQKWZONESA-N 353.878 5.534 30 1 FKEF O=C(O)c1cc2c(C#Cc3cccc(F)c3)c(-c3ccccc3)oc2cc1O 95594476 JOUNAPPVGWHUHN-UHFFFAOYSA-N 372.351 5.043 30 1 FKEF CCCCCCCCCCC/C=C\CCC(=O)c1c(O)cc(O)cc1O 238732984 MUFISAIGJOKEAT-SEYXRHQNSA-N 362.510 6.243 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C(c4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 254088620 OPLIQEAVVVBVAF-XUSKWMGMSA-N 360.497 5.391 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)Br)cc1 587912419 HQJMWLTZBYTKHN-UHFFFAOYSA-N 371.608 5.193 30 1 FKEF Cc1cccc(CNc2ncnc3ccc(-c4cccc(C#N)c4)cc23)c1 4267311 SFPZPHXDUQLYPL-UHFFFAOYSA-N 350.425 5.089 30 1 FKEF N#Cc1c(-c2ccncc2)c(NCCc2ccccc2)n2c(Cl)cccc12 36185190 JOJYBPYEMNHTJQ-UHFFFAOYSA-N 372.859 5.181 30 1 FKEF C=CCn1c(/C=C/CCCCCCCCCC)cc(=O)c2ccccc21 71281262 NJAGTKIRRXAFRZ-DTQAZKPQSA-N 351.534 6.732 30 1 FKEF C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1 71329049 JJRWSTJALNLTQY-IAPPQJPRSA-N 370.580 8.314 30 1 FKEF CCCCCCCCCCCCCCCCC[C@@H](CC(=O)O)OC(C)=O 85846705 SELBZODRWLCDNA-NRFANRHFSA-N 370.574 6.654 30 1 FKEF biogenic N#Cc1cccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 587503814 IMPGSKDPRJTAAG-HSZRJFAPSA-N 369.420 5.404 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@H]1c1cc2ccncc2o1 963205168 NJIQTCSOLZTCDA-ZJSXRUAMSA-N 365.436 5.040 30 1 FKEF [N-]=[N+]=Nc1ccc(CCCN[C@@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 28008495 YRTWRTHAKNPCOO-UYAOXDASSA-N 372.513 5.745 30 1 FKEF CCCCCCCCCCCCCCCCCCCC[C@H](C)CC(=O)O 85530779 MLBNWSYZPAYZIA-QHCPKHFHSA-N 368.646 8.529 30 1 FKEF biogenic,in-vitro CCCCCCCC/C=C\CCCCCCCC(=O)NCc1cccnc1 96282639 ZAHBDLONEIBKSF-KTKRTIGZSA-N 372.597 6.735 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 101332909 KKDOWRPMGFXDPU-ACRUOGEOSA-N 354.881 5.059 30 1 FKEF CCCCCCCCCCCCC/C=C/CC/C=C\CCCC(=O)OC 238782032 BPMDJBLHOBBFPO-NTERCVLLSA-N 364.614 7.923 30 1 FKEF C[C@@H](C#N)c1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587189124 YJNQDBFUHWQDOP-INIZCTEOSA-N 353.425 5.436 30 1 FKEF Cn1cccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C#N 587627696 IQFXKIPSBBUBKG-UHFFFAOYSA-N 357.257 5.083 30 1 FKEF CC(=Nc1ccccc1C)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356840818 MUYWDJQRRFCBQM-UHFFFAOYSA-N 368.436 5.145 30 1 FKEF Cc1ccc(C2=CCC(C)(C)C=C2/C=C/C#Cc2ccc(C(=O)O)cc2)cc1 1550230 UACAJGJFJAQPLY-FNORWQNLSA-N 368.476 6.041 30 1 FKEF C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1C/C=C/c1ccccc1 13590019 DJRRVTQORDVOKO-ZZGLKEESSA-N 350.531 5.571 30 1 FKEF C=C[C@](C)(CC/C=C(\C)CC(=O)C=C(C)C)CC(=O)c1ccc(O)cc1O 15113896 QGXFRTQQPXHULK-NYRBYKDPSA-N 370.489 5.515 30 1 FKEF C=CCOc1ccc(/C=C/[C@@H](CCCC)c2ccc(OC)cc2OC)cc1 28566787 XDCKMBIYZQPNTC-RGFVMQALSA-N 366.501 6.256 30 1 FKEF CCCCCCCCCCN1CCC2(CC1)Cc1ccccc1C(=O)O2 42892299 FAHOVTAYYCISCX-UHFFFAOYSA-N 357.538 5.375 30 1 FKEF CCOC1=CC(=O)C(O)=C(C[C@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]32)C1=O 85949169 QRNQIPWSGCHABE-MQRINHCJSA-N 372.505 5.060 30 1 FKEF biogenic CC(=O)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255202146 CIPWTUUCAJDQRQ-MZMGYGNJSA-N 368.561 5.916 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587067407 YPYGAOYHBNRKHA-UHFFFAOYSA-N 366.851 6.231 30 1 FKEF CCCCCCCCC[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973382 KPCOBBTVENYGJO-JKSUJKDBSA-N 373.871 5.399 30 1 FKEF C[C@@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 43064460 YNCUBWWVYADNTK-DOSUFJLTSA-N 370.496 5.671 30 1 FKEF CCCCCC/C=C\C[C@H](CCCCC)CC[C@H](CCN)CCC(=O)O 85506059 AHYZOUABZXHJSR-NFXJIFMXSA-N 367.618 6.710 30 1 FKEF biogenic,in-vitro C=C(COC(=O)CCCCCCCC)[C@H]1Cc2cc(C(C)=O)ccc2O1 95592307 NAQCTYLFZQYNHK-OAQYLSRUSA-N 358.478 5.043 30 1 FKEF biogenic Cc1ccc(C(=O)C2=C(c3c(C)cc(C)cc3C)C(=O)OC23CCCC3)cc1 103185083 UKRUFUUQTQNLEX-UHFFFAOYSA-N 374.480 5.426 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)NCCCCCN 167230917 SPFSPGFSLIDYEZ-KTKRTIGZSA-N 366.634 6.269 30 1 FKEF CN1[C@H]2CC[C@H]1CC(=NO[C@H](Cc1ccc(Cl)cc1)c1ccccc1)C2 253668170 XIMUYEKYRAKSDP-FDFHNCONSA-N 368.908 5.253 30 1 FKEF Fc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1F 587144810 BFCRDSDXQPRQEZ-UHFFFAOYSA-N 366.211 5.546 30 1 FKEF CCCCCCCCCCCCCCCCSc1nc(O)cc(O)n1 653838678 AGZQPVQOOXJGEV-UHFFFAOYSA-N 368.587 6.461 30 1 FKEF CCCCCCCC/C=C\CCCCCCCCOC[C@@H]1C[C@@H](O)CN1 1857537141 XNGAJZXAVLVICW-SNZQZGEVSA-N 367.618 5.763 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@@H]2C[C@@H]3C(C)=CC(=O)[C@H]3C(CO)=CC[C@@H]12 2356603415 CFKQOOWPLGFWHM-BMRHFBTGSA-N 354.534 5.261 30 1 FKEF O=C1/C(=C/c2ccc(Cl)cc2)CCC/C1=C\c1ccc([N+](=O)[O-])cc1 28340559 GYNMYUXWCVQQGQ-UNZYHPAISA-N 353.805 5.468 30 1 FKEF CCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1CCCCO1 34803695 WHRUUJVCEWDFEY-GIWCCYDRSA-N 352.559 6.356 30 1 FKEF CCCCCCCCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 43947358 IUWRBNUWOCNQKM-GOSISDBHSA-N 371.562 6.056 30 1 FKEF N#C[C@H](c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)c(Cl)n1 95873033 BVKFWGFJISGLBN-SNVBAGLBSA-N 364.676 5.428 30 1 FKEF C=C[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 169354704 DJAAPGPGXVPSMP-LRSLUSHPSA-N 369.455 5.108 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2ccc(C(=O)O)cc2)c1 587904133 CFPOYHGCSZRMOQ-UHFFFAOYSA-N 362.812 5.114 30 1 FKEF C=CCCCCC[C@@H](OC(C)=O)[C@H](CC=CCC=CCC)OC(C)=O 2356484819 IYBHZAIQDKSHHC-RTWAWAEBSA-N 350.499 5.289 30 1 FKEF COc1ccc(/N=N/c2cc(/C=N/c3ccccc3)c(O)c(OC)c2)cc1 103214396 YTWDDPPWFLALQR-OEGUDMMCSA-N 361.401 5.575 30 1 FKEF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3ccc([C@@H](C)CC)cc3c2C#N)c1C 587644143 NYKQZXKLYZPCQR-LBPRGKRZSA-N 363.461 5.342 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2F)cc1 587916179 DZFGAPHGEJCVFV-UHFFFAOYSA-N 366.819 5.467 30 1 FKEF CCCCCCC=CCCC[C@H](CCCC(=O)O)CNC1CCCCC1 2356369534 XUAFPZFWJUVQQE-OAQYLSRUSA-N 365.602 6.477 30 1 FKEF CC#CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356560237 QIVWKKGISABDKH-WKOKZOKJSA-N 354.578 5.976 30 1 FKEF C[C@@H](/C(O)=N/CCc1ccc(Cl)cc1)[C@H]1Sc2ccccc2N=C1O 34858449 GETLKDULSFFSOO-SJKOYZFVSA-N 374.893 5.238 30 1 FKEF CCCCCCCS[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@H]1O2 43443403 KCOKBDWYBNXFCM-GUFLSNTASA-N 354.556 5.437 30 1 FKEF CCCCCCCCCCCCCC[C@H](CO)NC(=O)OC(C)(C)C 43815540 QJPTYDGYJHVVEW-LJQANCHMSA-N 357.579 5.963 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)CC(C34C=C[C@@H]5CC[C@H](C=C3)C5(C)N4)=CC(C)=C2C1 85550139 BXGIBPZRFLGZCR-TVRSJJTGSA-N 361.573 6.268 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCC/C=C/CC(=O)C1=C(O)C[C@H](O)CC1=O 96085410 YEFDDSMURKQPEL-JKGDOXCYSA-N 364.526 5.349 30 1 FKEF in-vitro O=C1CCCC2=C1[C@@H](c1c[nH]c3ccccc13)c1c(ccc3ccccc13)O2 299835640 MFHMKMZOTZOHBQ-DEOSSOPVSA-N 365.432 5.853 30 1 FKEF CCCCCCCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099584 NPVRVGBLYPHGCY-UHFFFAOYSA-N 357.497 6.576 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(C(F)(F)C(F)(F)F)c1 587913148 YAWMCBLWGPYARR-UHFFFAOYSA-N 360.709 5.403 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2cccnc2cc1C(F)(F)F 587913642 AKKIVWYBYWDLJR-UHFFFAOYSA-N 361.750 5.315 30 1 FKEF O=C1/C(=C/c2ccc(F)c(F)c2)CSC/C1=C\c1ccc(F)c(F)c1 1772606748 GPWYCKFIDQFBEP-ACFHMISVSA-N 364.363 5.026 30 1 FKEF CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(C)cc3F)ccc21 1857744798 CTGYJQCNXHGZPH-JLHYYAGUSA-N 357.428 6.158 30 1 FKEF COc1cccc(/C=N/c2ccccc2C(=O)c2ccc(Cl)cc2)c1O 1857756030 OYIPRRSSLWBTRZ-YDZHTSKRSA-N 365.816 5.036 30 1 FKEF CCCCC=CC#CC#CCCCCCCCC[C@H]1C[C@H](COC)OC1=O 2356598269 LDAWMCULWDOTLF-XZOQPEGZSA-N 372.549 5.439 30 1 FKEF CCCC/N=C(\O)c1ccc(Sc2ccc(F)cc2)c(/N=C(\C)O)c1 3048831 MPPYQLJCQSXIGC-UHFFFAOYSA-N 360.454 5.690 30 1 FKEF C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)CC(=O)c1c(C)cccc1O 15204674 UFLUYCOKQUZAAI-MFGYPMPUSA-N 354.534 6.939 30 1 FKEF COc1ccc(-c2c(C#N)c(N)c(C#N)c(SC)c2-c2ccccc2)cc1 40412200 RVUCJYRMFMUDJP-UHFFFAOYSA-N 371.465 5.077 30 1 FKEF N#Cc1ccc(C(=O)N2CC[C@@H]3C[C@H]2c2cc(-c4ccccc4)ccc23)cc1 61942490 RCGRMQNXSSTNCO-QPPBQGQZSA-N 364.448 5.300 30 1 FKEF C=C(C)[C@@H]1CC/C(C)=C\CC/C(C(=O)O)=C/CC/C(C)=C\[C@@H]1OC(C)=O 238760542 UEZWBWGIEOHSAA-CXLDKMFUSA-N 360.494 5.368 30 1 FKEF CCCCSC1=C2CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]3[C@@]2(C)CCC1=O 253684120 JWJVSQSPSJHDRJ-MYFMVCCBSA-N 374.590 5.948 30 1 FKEF CCCCCCCN1C=C/C(=C/C=C2\C=Nc3ccccc32)c2ccccc21 367729170 SCCZDQFQNGQMEJ-KBNZVFGVSA-N 368.524 7.174 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c([C@H]3CCN(C(=O)OC(C)(C)C)C3)c(C#N)c2c1 587644089 ZPVRPYPSMWHJKE-ZBFHGGJFSA-N 367.493 5.277 30 1 FKEF CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)c1ccccc1 2382231942 UDBPSOFNQNGIRY-UHFFFAOYSA-N 368.480 5.949 30 1 FKEF CCOc1ccc(Cl)cc1C1=CC(=O)C[C@H](c2ccc(OC)cc2)C1 36389370 YZMQMBNTBVAQOP-OAHLLOKOSA-N 356.849 5.277 30 3 FKEF CO/N=C(\C)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1 28761741 QVGXYCBPBKSQGK-HYARGMPZSA-N 359.466 5.241 30 1 FKEF C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 28951721 USNKDWKIDLXGKS-XGTYDZQNSA-N 361.514 6.455 30 1 FKEF CCCCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC 49952200 TWZGSYWJERBXQK-UHFFFAOYSA-N 354.531 5.740 30 1 FKEF Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)nnc2Cl)c(C)c1 95602841 KRINSTDORVBSPG-UHFFFAOYSA-N 364.836 5.463 30 1 FKEF CC(C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257414354 FFRFYWBYDZTBDQ-KILZBMMKSA-N 368.605 6.983 30 1 FKEF endogenous,in-man CCCCCCCCCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279568 LSAZKEFPTMZJJN-UHFFFAOYSA-N 359.466 6.835 30 1 FKEF CCCCCC/C=C\[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813142 BHRYTPJTMXDTMR-HDWJSYOQSA-N 368.334 5.864 30 1 FKEF N#Cc1ccc2[nH]cc(/C=N/c3sc4c(c3C#N)CCCCCC4)c2c1 653859589 OKOUYDKQQSUFIU-DHRITJCHSA-N 358.470 5.382 30 1 FKEF CCCCCCCC/C=C\CCCCCCC[C@]1(O)CC(=O)C=C[C@@H]1O 85832129 ZPYABTHUTGWONW-RXWKEIDKSA-N 364.570 5.645 30 1 FKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)[C@H](O)COC(C)=O 85994320 LRMPJOYJNYJJBC-DIINWTLSSA-N 350.543 5.126 30 1 FKEF CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 103523913 WDMUMYYFMJODBR-UQNFDQQLSA-N 371.502 5.170 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC[C@H](C(=O)O)CC/C=C(/C)CCC[C@@H](C)CC1 238740863 FPYLTCXRQURGOI-POUKMQPDSA-N 374.609 7.713 30 1 FKEF CCCCCCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991806 QPSPFCXYKKVJEZ-UHFFFAOYSA-N 359.469 6.055 30 1 FKEF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@H]1c1c(O)cccc1Cl 963194877 UOHOPLCIOQVZQI-NZQKXSOJSA-N 374.871 5.258 30 1 FKEF C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)NC(=O)CCCC)[C@@H]2CC[C@]1(O)C3 1772585047 RRGHFYWJLRTMHD-YXWUXENJSA-N 373.581 5.129 30 1 FKEF Cc1ccc2c([C@@H](c3ccccc3)C(C#N)C#N)c(-c3ccccc3)[nH]c2c1 1857596641 OHOITEOELCZCSO-QHCPKHFHSA-N 361.448 5.939 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@@H]1OC(C)=C3C(=O)OC(C)(C)[C@@H]4CC[C@@]12[C@@H]34 2356790382 FMYRDMFDPRCQQF-AMPNPVJDSA-N 368.517 5.330 30 1 FKEF C=CC[C@@H]1Oc2c(C=C)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493650 XOSVCJKDUIUUIB-FQEVSTJZSA-N 373.496 6.622 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)/C(C)=C/C(=O)O 14486314 HHYMHAFBPNXEIC-GKPRNFRUSA-N 362.510 5.138 30 1 FKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@@](C)(COC(=O)CC(=O)O)CCC[C@]32C)C1 14656621 MDEBRCINDGZVPW-PHXJMUFTSA-N 374.521 5.140 30 1 FKEF O=C(/C=C/c1ccc2oc(-c3ccc(O)cc3)cc2c1)c1ccc(O)cc1O 59772668 ASHHFRLYDYFCHN-XLUWADSXSA-N 372.376 5.113 30 1 FKEF N#Cc1ccccc1SCc1nc2ccc(OCc3ccccc3)cc2[nH]1 586965137 QWBSHCFMHFKAMO-UHFFFAOYSA-N 371.465 5.306 30 1 FKEF C=CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587810385 CLESJJLEWFGQDG-VLIAUNLRSA-N 374.297 5.332 30 1 FKEF C=C1C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)OC)C2=C[C@H](OCC)[C@H]1C3 2356766682 VGANWUYGRNLAJS-TWVSWZBHSA-N 358.522 5.064 30 1 FKEF C[C@@H](C=O)CCCCCCCCC[C@H](C=CC(=O)O)Cc1cccc(O)c1 2356774028 PFMPFULBSCQREW-WOJBJXKFSA-N 374.521 5.538 30 1 FKEF C=C1C=C(C)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O 13755707 QLTIGDUKNMBVNZ-CQSZACIVSA-N 351.284 5.254 30 1 FKEF CCCCCCCCCC/C=C\CCc1cc(=O)c2ccccc2n1C 66252817 QJBXBSIOKNNZLB-SEYXRHQNSA-N 353.550 6.558 30 1 FKEF S=C(Nc1ccccc1)Nc1ccc(/N=C/c2ccc(Cl)cc2)cc1 72140939 FZPDASWQUXCHHZ-HYARGMPZSA-N 365.889 5.900 30 1 FKEF CCCCc1nnc(-c2cccc(C#Cc3cc(Cl)ccc3OC)c2)o1 587905048 JGVGAYWVWKNSNI-UHFFFAOYSA-N 366.848 5.141 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C(=O)O)cc2)s1 587920280 BVNRREJPJKVMHM-UHFFFAOYSA-N 368.841 5.175 30 1 FKEF CCCCCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1OC(C)=O 43606317 JYWZNEBKZPMNJS-BURFVFRZSA-N 352.559 6.090 30 1 FKEF N#Cc1ccccc1SCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586964855 MQINGARKOIWVLH-UHFFFAOYSA-N 367.783 5.399 30 1 FKEF C=CCC[C@@]1(CCC)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952465 HUWMVKGWOUNJDK-HXUWFJFHSA-N 367.455 5.318 30 1 FKEF C=C1C[C@]2(CCC3(CCCC3)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@H]2[C@H]1CC2(C)C 2356439137 FWAMSOSQRBOWJG-FDGCDDQTSA-N 354.578 6.667 30 1 FKEF C=CCCC=CC=C(C)C[C@H](C)C=CC=CC[C@@H]1C[C@H](O)[C@H](C)[C@@](C)(O)O1 2356541482 UMSAZVWWNPZQBE-KNOCVWDGSA-N 374.565 5.478 30 1 FKEF O=C1C=C(c2ccc(Oc3ccccc3)cc2)C[C@@H](c2ccc(Cl)cc2)C1 36388402 SKHXRPOAYCXYGQ-LJQANCHMSA-N 374.867 6.662 30 3 FKEF CS/C(=C/C(=O)/C=C/C1=C(C)CCCC1(C)C)Nc1ccc(F)cc1 28707642 MBNPINKIIZHREQ-IZOCETQSSA-N 359.510 6.094 30 1 FKEF C=C[C@]12CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OCC)[C@@H]1CC[C@](C)(CO)C2 40845227 SFEZZTPBHSYTEY-DPVJEZKXSA-N 362.554 5.127 30 1 FKEF COc1ccc(-c2cc3ccccc3nc2/C=C/C(=O)c2ccccn2)cc1 95597374 RDUKXDNYPPYAHN-BUHFOSPRSA-N 366.420 5.202 30 1 FKEF CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 103522636 KAJJYQDDUMNLAD-QWODIWHTSA-N 371.452 5.367 30 1 FKEF O=C(C(=S)Nc1ccccc1)[C@H](/C=N/c1ccccc1)c1ccccc1 169686678 WSOXYTIBSUTHGB-OGTCDWKQSA-N 358.466 5.181 30 1 FKEF C/C=C1/C(=O)C[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]4(C)[C@@H]3CC[C@]12C 257457998 JSUJWYWIDCBKFU-FTWYDCJHSA-N 371.609 5.769 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C=O)ccc1Oc1ccccc1 587900673 PJWWKTLOPBJGCU-UHFFFAOYSA-N 362.812 5.353 30 1 FKEF CCC[C@H](C)[C@]1([C@H](C)CC)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963197989 UOQDRYGZMAWHJG-WSAILGMDSA-N 374.572 6.487 30 1 FKEF CCCC[C@H](C)CCCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356789636 DNXKNCGWAAYKPA-ZWKOTPCHSA-N 365.558 5.565 30 1 FKEF CCCCCCCc1c2c(c(C)c3c1C(=O)OC3)Oc1ccccc1O2 43552702 CAGHIGHOTVUMGO-UHFFFAOYSA-N 352.430 6.076 30 1 FKEF CON=C1[C@H]2CC(C)C[C@@H]1[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 49033847 IDVQFEASHNUUHC-LMFASAPVSA-N 370.443 5.015 30 1 FKEF CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC 85922178 SXOSMRIOGCFODN-UHFFFAOYSA-N 366.630 7.966 30 1 FKEF endogenous,in-man C=C1CC/C=C(\C)CC[C@@H]2/C(=C\CC=C(C)C)[C@H](OC)O[C@H](OC(C)=O)[C@@H]12 140574751 YWNFEGSZFPYUPC-SHRTWCPISA-N 374.521 5.470 30 1 FKEF N#Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095402 XMRHVEGFHLDDDN-UHFFFAOYSA-N 355.241 5.139 30 1 FKEF C=CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601514 GOWLDZNLNDBGTH-XUZZJYLKSA-N 372.420 5.216 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2ncc(C(C)(C)C)o2)c1 587905068 JXNOFBMOXCREPT-UHFFFAOYSA-N 365.860 5.701 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)cc1OC1CC1 587913963 QLZRCSZVEPHBKM-UHFFFAOYSA-N 366.766 5.308 30 1 FKEF COc1ccc(C2=C(Cl)C(=O)c3ccc(-c4ccc(C)cc4)cc32)cc1 1857650706 DXSWUJXOZNEYKE-UHFFFAOYSA-N 360.840 5.865 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CCC(C)=CCOC(C)=O 2356493805 HSANNLXBHKRHSH-NPDDRXJXSA-N 362.510 5.140 30 1 FKEF Oc1ccc(Br)cc1/C=N\c1cc(C(F)(F)F)ccc1F 2382236099 JCSWNCCKFRNIMC-SCDVKCJHSA-N 362.120 5.063 30 1 FKEF CCCC[C@H]1Cc2cc(OC)ccc2-c2c(C#N)c3ccc(OC)cc3n21 13606380 TYVOHEMRNQVLOQ-INIZCTEOSA-N 360.457 5.485 30 1 FKEF C=CCc1cc(Oc2ccccc2)ccc1OCCO[C@H]1CCCCO1 27311613 CVHRYLANZQEBRT-QFIPXVFZSA-N 354.446 5.129 30 1 FKEF Cc1cccc(NC(=O)c2ccc(-c3cccc4ccccc34)c(C#N)c2)n1 40952592 YTBWQFAKJAKPCW-UHFFFAOYSA-N 363.420 5.334 30 1 FKEF CCOC(=O)c1cc2c(C#Cc3cc(Cl)ccc3OC)cccc2s1 587920912 OSLDNSFIWHGVJX-UHFFFAOYSA-N 370.857 5.140 30 1 FKEF CCCCCCCCCC=CCCCCCCCCCCCCCO 2356565877 OIFFIGASLZKVBQ-UHFFFAOYSA-N 352.647 8.357 30 1 FKEF C=C[C@H]1CN2CC[C@H]1C[C@H]2CN(CC1CCCCC1)CC1CCCCC1 2356867613 WTXCZPVJLWKXCE-HJOGWXRNSA-N 358.614 5.345 30 1 FKEF CC(C)(C)C1=CC(=C2C=Cc3cc(O)ccc3O2)C=C(C(C)(C)C)C1=O 1657995 JVMAGOLAWQMFAC-UHFFFAOYSA-N 350.458 5.580 30 1 FKEF Cc1cc(N/C(=N\[C@@H](C)C(C)(C)C)Nc2nccs2)c2ccccc2n1 29569500 APSCGBRBKJTSAJ-AWEZNQCLSA-N 367.522 5.314 30 1 FKEF C=C1C(=O)[C@@]2(C)CC[C@@H]3[C@]1(CC[C@H]1[C@@]3(C)CCC[C@@]1(C)C(=O)OCC)C2 40891682 WVIYGTQGMHJBJJ-UUJQYYJQSA-N 358.522 5.088 30 1 FKEF C=CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45358387 CZFAOZKHHIQMRV-UHFFFAOYSA-N 361.489 5.366 30 1 FKEF CCCCCCCCCCCCCCCCCC(=O)C[C@@H](O)CCC 86001434 BSEXCTWVVZZKPE-QFIPXVFZSA-N 354.619 7.368 30 1 FKEF endogenous,in-man CCCCCCCCCCCCCC(=O)NC[C@H](O)c1cccc(C)c1 95577172 IKKWHHBZYHJFLK-QFIPXVFZSA-N 361.570 5.846 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(-c3ccccc3)cc2c1 587910111 KISMAAKTTUNQPM-UHFFFAOYSA-N 358.828 5.292 30 1 FKEF N#C[C@@]1(c2c3ccccc3cc3ccccc23)NCCc2cc(Cl)ccc21 963391299 SFDOMOBRAPZRLD-XMMPIXPASA-N 368.867 5.559 30 1 FKEF Cc1cc(C)c(-c2cccc(COc3ccc(C#CC(=O)O)cc3)c2)c(C)c1 1857770043 MGJXGPDJRJYRLC-UHFFFAOYSA-N 370.448 5.294 30 1 FKEF CCC=CCCC[C@@H]1C[C@@H]2CC[C@H]3C[C@H](CCCCCCC)NC(=N1)N32 2356319629 RTIHUTXMEHQCPS-MLNNCEHLSA-N 359.602 5.807 30 1 FKEF C[C@H](O)CCCCCC=CC(=O)CCc1ccc(O)c(OC2CCCC2)c1 2356769673 KYQQRMLMPLYBKY-SFHVURJKSA-N 374.521 5.103 30 1 FKEF C=CCO[C@@H](C)C1=CC(C)(C)Nc2ccc(-c3cc(F)ccc3OC)cc21 3942301 SSAMEZHVGWGDGH-HNNXBMFYSA-N 367.464 5.680 30 1 FKEF c1ccc(CON=C2C[C@@H](c3ccccc3)N[C@H](c3ccccc3)C2)cc1 43012062 QKSDKDVJNVRIHB-ZEQRLZLVSA-N 356.469 5.425 30 1 FKEF CCN(/C(=N\O)c1ccc(C)nc1Oc1ccc(SC)c(C)c1)C(C)C 72142625 HISHPYCJDXIOEZ-QOCHGBHMSA-N 373.522 5.079 30 1 FKEF CCCCCCCCCCCCCCCCCCC(=O)C[C@H](O)CCC 85922157 VVFQRCWTWFXTJM-HSZRJFAPSA-N 368.646 7.758 30 1 FKEF endogenous,in-man CCCCCCCCCCCCCCN[C@@H]1CC[C@@H](P(=O)(O)O)C1 95606567 MVIUMKOQNNKAJB-RTBURBONSA-N 361.507 5.376 30 1 FKEF in-vivo Cc1ccc(C#Cc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2C)cc1 299823330 FCZIAQSWPWHMGW-UHFFFAOYSA-N 365.885 5.231 30 1 FKEF CCC[N@@+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 299846357 LNLHXQQVDKSMLL-SDJAXBGTSA-N 373.564 5.684 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587272207 PWEAFYXBRYUJKI-UHFFFAOYSA-N 371.396 5.659 30 1 FKEF C=CCC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352467 JKCWMUBQMZGJQI-UNMCSNQZSA-N 352.405 5.005 30 1 FKEF N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587629914 NKJNSGIHTQOMGA-UHFFFAOYSA-N 354.690 5.398 30 1 FKEF N#Cc1cnc2ccc(NCc3cccnc3)cc2c1NC1CCCCCC1 28827302 YEMSHXYFWVKFBF-UHFFFAOYSA-N 371.488 5.248 30 1 FKEF C[C@]12CC[C@@H]3c4cc(C#Cc5ccccc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 34660003 LXBBPDREWPMEFO-HPJLMOCUSA-N 370.492 5.217 30 1 FKEF CCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCCCNC1=O 43450613 ZBTPCKHISMCAQZ-AQWUKCDYSA-N 364.574 5.029 30 1 FKEF Cc1ccc(/C(=N/O)NC2CCCCC2)c(Oc2cccc(C(C)C)c2)n1 72182701 AQZMHYLZOVACCD-UHFFFAOYSA-N 367.493 5.364 30 1 FKEF C[C@H](C=O)CCCCCC[C@H](CCC/C=C/C(=O)O)C1CCCCC1 85510614 DBJHMPRBVXWVSB-NJGNHYEOSA-N 350.543 6.170 30 1 FKEF biogenic,in-vitro COc1ccc2c(c1)c1c(n2C)-c2ccccc2/C1=N\Nc1ccccc1 95591004 RYUSOVQSRJTMHZ-YYDJUVGSSA-N 353.425 5.032 30 1 FKEF CCCCCCCC/C=C/CCCCCCCCOC(=O)CC(C)C 111405710 LOCNAPVACGRDIV-VAWYXSNFSA-N 352.603 7.613 30 1 FKEF C=C1CC[C@H]2C(C)(C)C[C@@H](OC(C)=O)C[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O 238782113 VMWOMELLRUSCGH-HMPFRBTMSA-N 362.510 5.138 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3cncc(Br)c3)c(C#N)c2c1 587639513 YLSUOXUKXCFAEW-NSHDSACASA-N 354.251 5.378 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)OC(C)(C)C)cc1 587906586 MIFYSBQUQXDFAW-UHFFFAOYSA-N 357.837 5.095 30 1 FKEF CCCCC/C(C)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12 653780414 WHFKVXKPZSPNKO-CGRMPOQBSA-N 367.518 5.227 30 1 FKEF CCCCCCCn1cnc2c3ccccc3c3c(c21)CCC(C)(C)O3 1857652673 WANOZOXLDQOONU-UHFFFAOYSA-N 350.506 6.264 30 1 FKEF CCCCCCCCCCCCCCCCCc1nnc2ccncc2n1 43278624 ULGZKTOSEWFLNK-UHFFFAOYSA-N 370.585 6.834 30 1 FKEF C#Cc1nc2c(C)ccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 587099451 IXWHQMOEWLGZGV-UHFFFAOYSA-N 359.428 5.327 30 1 FKEF C=C(C)[C@@H]1CC=C(C)[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816998 HEHBXGNJAFJBKB-KSMMKXTCSA-N 364.302 5.250 30 1 FKEF CCCCCCC=CCCCCCCCCCCCCCC(=O)OC 2356521032 HLHFJMYESRVIHQ-UHFFFAOYSA-N 352.603 7.757 30 1 FKEF CCCCCCCCc1cc2nc3ccc(N(C)C)cc3sc-2cc1=O 2382242732 KKRVHMNGGWPFAZ-UHFFFAOYSA-N 368.546 5.730 30 1 FKEF CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c4c([nH]c23)C(=O)C=C(C)C4=O)O1 14684051 MKKICXDLMPFUNZ-QHCPKHFHSA-N 361.441 5.404 30 1 FKEF biogenic C=C[C@@H]1CSC(C[C@@H](C)[C@@H](C)C[C@H](C)CCN(C)C(=O)[C@H](C)CC)=N1 38330988 PHYRFZDJEDWWKT-UJWQCDCRSA-N 366.615 5.269 30 1 FKEF CCCCCCCCCC[C@H]1CC[P@](=O)(OC)OC(C)=C1C(=O)OC 96908201 NHTZROPHLCBBHP-GKVSMKOHSA-N 374.458 5.840 30 1 FKEF O=C(/C=C/c1ccccc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 5581851 KIMXFCUSPBTKHJ-XNTDXEJSSA-N 353.425 5.071 30 1 FKEF CCCCCCCCCCCCCCCc1c(C)c(C)c(C)c(O)c1O 64633650 LDSXBSAASMZCGN-UHFFFAOYSA-N 362.598 7.657 30 1 FKEF in-vitro C=CC[N@@+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 299846169 XWHJREUWFMMSHD-SDJAXBGTSA-N 371.548 5.460 30 1 FKEF Cc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Cl 586910432 PGMQKMRNROJKIN-NRFANRHFSA-N 374.912 5.174 30 1 FKEF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1c(O)cccc1Cl 963194881 UOHOPLCIOQVZQI-REWPJTCUSA-N 374.871 5.258 30 1 FKEF C[C@]12CCC(=O)C=C1C=C(Cc1ccccc1)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 1857560210 VVDWEHROXAUWQZ-XMQSEMGDSA-N 374.524 5.476 30 1 FKEF C=C1CC[C@H]([C@H](C)CCC=C(C)CO)[C@@H]2[C@@H]1CCC1=CCCC(=C)[C@H]2C1 2356600682 UTURTWRYGLGHFA-FSIWAFGDSA-N 354.578 6.616 30 1 FKEF C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13 255214655 HDJAPAUXOZLNPO-FUAOLKEKSA-N 367.577 5.395 30 1 FKEF N#Cc1ccc2c(C(=O)C(Cl)(c3ccccc3)c3ccccc3)coc2c1 587278042 KHNXAZRYKIYTQV-UHFFFAOYSA-N 371.823 5.670 30 1 FKEF CCCCCCCCC[C@@H](C)C[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444645 FJIUYEJIVUOKLJ-LSTHTHJFSA-N 358.522 5.978 30 1 FKEF CCCCCCCCCC[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587490791 UWMFRRCSWIOZSF-HSZRJFAPSA-N 360.538 6.599 30 1 FKEF CCCCCCCCCCCCCCCCC[C@@H](O)COC(=O)CCC 2356436965 BVADXSKPLYAODZ-JOCHJYFZSA-N 370.618 6.952 30 1 FKEF C=C(CNC(=O)CCCC[C@H]1C[C@H]1CCCCCCCCC)C(=O)OC 2356834223 KMJVEGYVYIPRJF-UXHICEINSA-N 365.558 5.169 30 1 FKEF CCCCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 36294747 CWXKITARQPOZNY-NHCUHLMSSA-N 370.577 7.296 30 1 FKEF CCCCCCC[C@@](O)(c1cccc(Cl)c1)c1ccc(F)c(F)c1 84672347 XFWWDCHNVZATEO-HXUWFJFHSA-N 352.852 6.215 30 1 FKEF CCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCC 103233682 YAHNLUVTQKJXNF-UHFFFAOYSA-N 370.710 6.640 30 1 FKEF CC(C)[C@@H]1C[C@]2(CS1)c1ccccc1CCN2[C@H](C#N)c1ccccc1 963193102 KJGPXMMUHWJYEH-VJBWXMMDSA-N 362.542 5.166 30 1 FKEF C=C[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/Cl)[C@@H]2CCc3cc(O)ccc3[C@H]21 13556105 SSQWPMLTYOGGLM-XUOOYTPCSA-N 358.909 5.144 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)C/C=C(/C)CC/C=C(/CO)CC[C@@H]3[C@@H]12 15216920 DCNGLOIOZYSSRI-YEIFKPBDSA-N 356.594 6.840 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1cc(Cl)ccc1Cl 299826321 GUFWLVIFFTWXQB-GFCCVEGCSA-N 365.281 6.002 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC(=CC(=O)O)COC(C)=O 2356754925 UZVOKBODOSKIIR-WOIUINJBSA-N 362.510 5.140 30 1 FKEF C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@H](CC(C)=CCC[C@@]3(C)OC(=O)CCC)[C@@H]12 5819633 LKOJWHNRHCEXFU-XXQYMAHKSA-N 374.565 5.841 30 1 FKEF biogenic CCCCCCCCCCc1[nH]c2ccccc2c(=O)c1C(=O)OCC 44405447 CLXIBGIRNLPQLY-UHFFFAOYSA-N 357.494 5.388 30 1 FKEF Cc1cc(C)c(Oc2ccc([N+](=O)[O-])c(Nc3ccc(C#N)cc3)c2)c(C)c1 53313576 ODHNHEDLTANWFN-UHFFFAOYSA-N 373.412 5.928 30 1 FKEF Cc1cc(C)c(C2=C(C(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1 103189352 FYNUIOVGICLBAE-UHFFFAOYSA-N 354.490 5.240 30 1 FKEF COC1=CC(=O)C(OC)=C(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O 299862007 MJCZYJAPBSHQDW-OUBUNXTGSA-N 372.505 5.378 30 1 FKEF COc1ccc2c(Cl)c(C(=O)c3coc4cc(C#N)ccc34)sc2c1 587279702 OYURIWLZZHBLNL-UHFFFAOYSA-N 367.813 5.412 30 1 FKEF CCCCCCCCCCC[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587491258 VHGRXAZQQZXJDX-XMMPIXPASA-N 374.565 6.990 30 1 FKEF Cc1cccc2c1CC[C@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963197936 UMLGBXSAPKLVAS-FTJBHMTQSA-N 364.492 5.308 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC([C@@]34C=C[C@H]5CC[C@H](CC3)[C@@]5(C)N4)=CC(C)=C2C1 2356369416 FNBQIAPRYNPZHU-SVVHWEEMSA-N 363.589 6.492 30 1 FKEF CC(=O)C=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC(=O)O 2356539841 BPKMPDBOJSCKEJ-UHFFFAOYSA-N 362.469 5.612 30 1 FKEF CC1=CC(=O)C(C)=C2O[C@]3(C[C@]12C)[C@H](C)CC[C@H]1C(C)(C)C(=O)CC[C@@]13C 2356631488 DPFQPNJTINPILZ-UXULBAEHSA-N 370.533 5.396 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC1=CC(=O)C=C(OCC)C1=O 2356799415 UKXDPPLUHNQGRE-RXDCQRPESA-N 356.506 5.174 30 1 FKEF C=CCn1c(O)c(/N=N\C(=S)Nc2ccc(C)cc2)c2ccccc21 6715303 SWDIIAHMGVHOKQ-DQRAZIAOSA-N 350.447 5.322 30 1 FKEF O=C1CCCC2=C1[C@H](c1ccc(-c3ccccc3)cc1)C1=C(O)CCCC1=N2 26654918 DDDNNZXZUNQSDF-HSZRJFAPSA-N 369.464 5.895 30 1 FKEF CCCCCCCCCC/C=C/C=C/c1cc(=O)c2ccccc2n1C 66113462 HUTNRQLZUAEYNW-MIFVOYFBSA-N 351.534 6.639 30 1 FKEF N#C[C@@H](C(=N)Sc1ccccc1N)c1ccccc1Oc1ccccc1 169718013 QEETYGCDFJREKS-QGZVFWFLSA-N 359.454 5.438 30 1 FKEF C=C/C=C\CCCCCCCCCCCCC/C=C/CCCCCCCC 219236036 ALOCDLUUNKDQHB-LACLNTKXSA-N 374.697 10.107 30 1 FKEF C/C=C(\C)C(=O)O[C@@H](C)C[C@H]1CCN(C(=O)CCCCCCCCC)C1 238738810 YPZRRRFUIPYEJJ-CTGPGXBASA-N 365.558 5.264 30 1 FKEF N#Cc1c(C2CC(F)(F)C2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625769 KDPRCPLZWCWZEZ-UHFFFAOYSA-N 368.227 5.590 30 1 FKEF C=C1CC([C@@]2(C3CCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587821197 TUZGWRPCJSTPSY-HXPMCKFVSA-N 364.302 5.084 30 1 FKEF C=CCCCCC[C@H](OC(C)=O)[C@H](CC=CCC=CCC)OC(C)=O 2356484820 IYBHZAIQDKSHHC-SFTDATJTSA-N 350.499 5.289 30 1 FKEF CCCCCCCCCCCC[S@@](=O)c1ccccc1[S@@](C)=O 71295526 IBHSISCEEJUVIT-GOTSBHOMSA-N 356.597 5.453 30 1 FKEF CCCCCC/C=C\CCCCCCCc1cccc(OC)c1C(=O)OC 136366688 GWJVQEFQSYCXHT-KTKRTIGZSA-N 374.565 6.892 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ncc(Br)c2ccccc12 587913171 JHXLOJSXPNJLSN-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF C#C[C@H](O)C=CCCCCCCCCCCCCCCC=C[C@@H](O)C#C 2356336264 KJWNXSBXDZJMLB-ZEQRLZLVSA-N 358.566 5.548 30 1 FKEF C=C[C@]1(C)CC2=C(O)C(=C)[C@]34O[C@]3(CCCC4(C)C)[C@@]2(C)[C@@H](OC(C)=O)C1 2356341917 ZVOGIZLWXKVJFR-GWASBTCASA-N 372.505 5.010 30 1 FKEF COC(=O)CCCC#CC#CCCCCCCC=CC=CBr 2356425484 FNTJNYUUZXUSJG-UHFFFAOYSA-N 365.311 5.142 30 1 FKEF CCCCCCCCC=CCCCCCCCc1cc(O)c(C)c(O)c1 2356505644 KTZDUJBKUSVCCM-UHFFFAOYSA-N 360.582 7.596 30 1 FKEF CCCCCCC=CC[C@@H](CCCCC)CC[C@@H](CCN)CCC(=O)O 2356745849 AHYZOUABZXHJSR-FGZHOGPDSA-N 367.618 6.710 30 1 FKEF CCCCCCCC/C(C)=C\CCCCCCCC(=O)OC[C@H](O)CO 85809016 NVYGLIYHVMMTJQ-OYQOIYBLSA-N 370.574 5.310 30 1 FKEF N#Cc1ccc2[nH]cc([C@H]3CC[C@H](N4CCc5ccccc5C4)CC3)c2c1 100806397 LOEPSYRVNXADMM-TYKWCNGQSA-N 355.485 5.124 30 1 FKEF CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 169320359 VTOAEHWHEKFQCU-PXCIATODSA-N 370.443 5.159 30 1 FKEF CCCCCCCC(=O)NCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 587228616 UPFIQWHASHKBBJ-UHFFFAOYSA-N 370.324 5.279 30 1 FKEF C=CCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348591 ADFCHUXXYIALGQ-GMAHTHKFSA-N 368.448 5.785 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C(C)=O)s2)cc1 587920509 GGNQFHOVLMLOTM-UHFFFAOYSA-N 366.869 5.680 30 1 FKEF CCCCCCCCCCCCC=CCCCCCCCCC(=O)O 2356367831 IKPOWYXJUIZKCM-UHFFFAOYSA-N 352.603 8.059 30 1 FKEF CC=C1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356436341 IXSGXUXGUNZCPE-BHRFRKIESA-N 358.522 5.086 30 1 FKEF COc1cc2cnc(-c3ccccc3)c(-c3ccc(C#N)cc3)c2cc1OC 36388898 GRVGTISTKBGAQG-UHFFFAOYSA-N 366.420 5.458 30 3 FKEF C=CC(=O)OCC[N+](C)(C)CCCCCCCCCCCCCCCC 43070739 FEIUCFRJDGWQSV-UHFFFAOYSA-N 368.626 6.273 30 1 FKEF C=C[C@H](C)CC[C@@H](CC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191704 BZFIQKGXWZTFQC-QORCZRPOSA-N 350.675 8.910 30 1 FKEF CC[C@H](C)n1ccnc1/C=C1\CCC/C(=C\c2nccn2[C@@H](C)CC)C1=O 103250926 ZHMBDSATUDSMDI-SSANFMQSSA-N 366.509 5.242 30 1 FKEF C=CCc1cc(/C=C/C(=O)/C=C/c2ccccc2C(F)(F)F)ccc1OC 103267831 DACZSGSEAKGRIA-RBDPUHSXSA-N 372.386 5.738 30 1 FKEF CCCCCCCCOC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 142328068 MPVLPIQMXJGQFG-KFJHEQQTSA-N 366.542 5.358 30 1 FKEF CCCC#CCCCCCCCCC/C=C/C=C\C#CCCC(=O)OCC 238746114 SKWPMUSILJABEC-ZXLWJTIRSA-N 370.577 6.760 30 1 FKEF CC(=O)Nc1ccc(C23C[C@H]4C[C@@H](CC(c5ccc(C#N)cc5)(C4)C2)C3)cc1 299856197 CIMCYCJMURYTBV-SCAKWATOSA-N 370.496 5.306 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(F)c1CNc1ccccc1 587915499 SNHJOFWAPQTXJH-UHFFFAOYSA-N 365.835 5.500 30 1 FKEF CCCCCCCCC[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973377 KPCOBBTVENYGJO-HOTGVXAUSA-N 373.871 5.399 30 1 FKEF CCCCCCCCCCCCCCC[C@@H](O)[C@H](CCCO)NC(C)=O 43911294 ZOISLTDGCKSFRF-FCHUYYIVSA-N 371.606 5.106 30 1 FKEF CCOc1ccc(/C=C/C(=O)c2coc3ccc(Cl)cc23)cc1OCC 587276058 JIKUMOHWVDEYJE-VMPITWQZSA-N 370.832 5.780 30 1 FKEF CCCCCCCCN1c2ccccc2C(=O)N(O)[C@@H]1c1ccc(O)cc1 2382226135 LDULXZNZSXBFHH-OAQYLSRUSA-N 368.477 5.103 30 1 FKEF Cc1cc2nc3c(C#N)c4c(c(Nc5ccc(F)cc5)n3c2cc1C)CCC4 1863421 ZJLCCZCCHGTMKS-UHFFFAOYSA-N 370.431 5.347 30 1 FKEF CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccccc3)c2O)O1 14713309 XKBWBVSFQXIHLM-CVJKAFSHSA-N 374.480 6.199 30 1 FKEF CCCCCCCCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1 43860818 AXAMUTCOMYUFQP-UHFFFAOYSA-N 364.485 6.589 30 1 FKEF C=C(C)C(=O)c1ccc(OCc2nc(-c3ccccc3)cs2)cc1Cl 73310686 CBUPDQVQNCHPFN-UHFFFAOYSA-N 369.873 5.801 30 1 FKEF CCC[C@@]1(c2ccccc2)CC(=O)C([C@H](CC)c2ccccc2)=C(O)O1 100785296 JNRIREMZPAHGTJ-XXBNENTESA-N 350.458 5.635 30 1 FKEF CCCCCCCCCCCCCCCCc1ccc(C(=O)O)c[n+]1C 138757689 VWXRBPUKBFSFJS-UHFFFAOYSA-O 362.578 6.233 30 1 FKEF CC(=O)[C@@]12[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)C2(C)C 169302491 GHJBJKOXWSTGJD-BOLBSKSFSA-N 354.534 5.360 30 1 FKEF CCCCCCCCCCC(=O)CCCCCCCCCCC(=O)OC 238763146 KHFIVJIAPOXDGN-UHFFFAOYSA-N 368.602 7.160 30 1 FKEF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc2c1 587092327 DHLDGCLNHOMIES-WDSKDSINSA-N 362.195 5.266 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1Oc1ccc(N)cc1C 587902650 KBELJIJYLDUOQT-UHFFFAOYSA-N 363.844 5.431 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1CSC1CCCC1 587919721 UEWBSOCAAJMYOV-UHFFFAOYSA-N 356.918 5.924 30 1 FKEF Cc1ccc(C(=O)/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587965320 JSQBLEWRAYDCQI-OUKQBFOZSA-N 369.424 5.142 30 1 FKEF CC1=CC(=O)[C@@H]([C@@]2(C)c3ccsc3CCN2Cc2ccco2)C(C)(C)C1 962701848 FDEWHTYUZYZVLK-IFMALSPDSA-N 369.530 5.176 30 1 FKEF CCCCCCCCC=CCCCCCCCCC[C@@H](O)C#CC#CCO 2356433572 NKDFAYUSKHUVJW-RUZDIDTESA-N 374.609 6.164 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc2scnc2cc1O 2356804911 VBGXCENGZWHWOD-RGXPITOMSA-N 355.547 6.343 30 1 FKEF N#CCCN(C[C@@H](O)c1cc2ccccc2c2ccccc12)C1CCCCC1 6583967 FSOTYQPVEVLKKF-RUZDIDTESA-N 372.512 5.575 30 1 FKEF O/N=C(/c1ccc(Oc2ccc3ccccc3c2)nc1)N1CCCCCC1 101794750 BNIMBLDFBNXLFS-GYHWCHFESA-N 361.445 5.039 30 1 FKEF CC(C)c1ccc2[nH]c(O)c(/N=N\C(S)=N/CCc3ccccc3)c2c1 102333742 AHVAXYFSGAHXDA-VHXPQNKSSA-N 366.490 5.609 30 1 FKEF CCCCCC(=O)/C(C)=C(/C)C(=O)CCCCCCCCCCC(=O)O 225970392 MKFXSITYYDXRME-HNENSFHCSA-N 366.542 6.027 30 1 FKEF COc1ccc(/C=C2\CCC/C(=C\c3cccc(F)c3)C2=O)cc1OC 299833171 KCRSAIZNMQOWPK-JYFOCSDGSA-N 352.405 5.063 30 1 FKEF CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)c1coc2cc(C#N)ccc12 587279040 YSAJNFADWITLOF-MRXNPFEDSA-N 374.223 5.652 30 1 FKEF CCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587822072 ZOKRAWQEIOVUTM-ACJLOTCBSA-N 356.323 5.914 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)NCCCC(=O)O 8860420 NFYDTZXYPVTQHJ-KTKRTIGZSA-N 367.574 6.005 30 1 FKEF C=CCN1[C@H]2CC[C@@H]1CC(O[C@H](c1ccccc1)c1cccc(Cl)c1)C2 13861965 MMRRATOYUMFVAD-HNTVYWHESA-N 367.920 5.627 30 1 FKEF CCCCC#CCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27748017 DVCBEVODQHDPAR-UXHICEINSA-N 352.518 6.129 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CC[C@@H](P(=O)(O)O)C1 36178394 MVIUMKOQNNKAJB-RBUKOAKNSA-N 361.507 5.376 30 1 FKEF in-vivo C=C(CCc1ccc(C)cc1)C1=C(C)C(=C)[C@@H]2CC[C@H](CC#N)C(C)(C)C2=C1 43071130 AOIQERYGVZXFRM-RPWUZVMVSA-N 371.568 7.263 30 1 FKEF Cc1cc(C)c(Oc2ccc([N+](=O)[O-])c(Nc3ccc(C#N)cc3)n2)c(C)c1 45245753 VQFCREZXWROWRQ-UHFFFAOYSA-N 374.400 5.323 30 1 FKEF CCCCc1nc(Cl)c(/C=C/C(=O)c2ccc3ccccc3c2)n1C 72112429 BGZSMCMUMZCHBD-OUKQBFOZSA-N 352.865 5.465 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(Br)c1F 587915378 MZVYFGJLWDYOLF-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF CC(C)=CCCC(C)=CCCC(C)=CC[C@@]12CC(=O)C=C[C@@H]1OC(=O)C2 2356755731 MXERJWHSUSUHEB-GMAHTHKFSA-N 356.506 5.627 30 1 FKEF CC(=NCCCN=C(C)C1=C(O)C[C@@H]2[C@@H]1C2(C)C)C1=C(O)C[C@@H]2[C@H]1C2(C)C 2356823976 GQSYNRVWXDMYPD-LYDRAKHJSA-N 370.537 5.274 30 1 FKEF COc1cc2[nH]c(-c3csc4ccccc34)c(C#N)c2cc1-c1cnco1 13488739 NTMMCSDOLRFNSQ-UHFFFAOYSA-N 371.421 5.585 30 1 FKEF CCN(CC)Cc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 29135500 MLGSRGCPCINHKR-ZVHZXABRSA-N 366.896 5.176 30 1 FKEF CCCCCCCCCCCCC(=O)N[C@@H](CCCC)CCC(=O)O 36144467 VURSRCNOGUSCIN-IBGZPJMESA-N 355.563 5.837 30 1 FKEF CCCCCCCCCCCCCCCC(=O)OCC[n+]1ccccc1 43379882 OZJKKBXELZRVSI-UHFFFAOYSA-N 362.578 5.999 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(N)ccc1Oc1cccc(F)c1 587916376 IVWPNYQNWMSTNN-UHFFFAOYSA-N 367.807 5.262 30 1 FKEF COc1ccc(Oc2nc(C#Cc3cc(Cl)ccc3OC)cs2)cc1 587920689 LUABAVRUDPJIMQ-UHFFFAOYSA-N 371.845 5.006 30 1 FKEF COC1=C(C)C2=C(C(=O)C1(C)C)[C@H](C(C)C)C[C@]1(CC[C@@]3(C(C)C)C[C@H]13)O2 2356332561 GANQKRZEIAHQPL-KTIFSJKTSA-N 372.549 5.657 30 1 FKEF C=CCCC1=N[C@H](/C=C\CC/C=C/C=C(\C)CC[C@H](CC=C)OC)CS1 13473228 WLYRCHHENOOYIZ-WHGSHAEBSA-N 373.606 6.677 30 1 FKEF [N-]=[N+]=Nc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 38143313 KOJHTPKNBTZVAY-UHFFFAOYSA-N 356.364 5.887 30 1 FKEF Cc1cc(Oc2ccc(/C(=N/O)N3CCCCCC3)cn2)cc(C(C)C)c1 101788912 MAOLCVCCDHJZBO-GYHWCHFESA-N 367.493 5.318 30 1 FKEF CCOc1c(Cl)cc(C#Cc2cc(Cl)ccc2OC)cc1Cl 587903497 HLKHHJMTDURVAV-UHFFFAOYSA-N 355.648 5.454 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C(=O)C[C@H]3C)C(CO)=CC[C@H]12 2356793698 HLMAAMDTIQIBLV-ZUXZLLPXSA-N 368.561 5.795 30 1 FKEF CCCCCCCCCCC/C=C\CCCCCCc1cccc(O)c1 86046897 DITRNYLIGJJTRQ-SEYXRHQNSA-N 358.610 8.362 30 1 FKEF CC/N=C(/S)N=Nc1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12 299813314 SBUUMMQPJROXGF-UHFFFAOYSA-N 372.881 5.438 30 1 FKEF aggregator N#Cc1cc(Cl)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587193008 OWQHRYUYOHQXHP-UHFFFAOYSA-N 372.859 5.295 30 1 FKEF CCCCCCC/C=C\C[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444222 CGRSJSCVDCOMRP-PWOHFCJCSA-N 356.506 5.898 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cnn(C(C)C)c2)cc1 587906782 SHOOEFBTRRFTRC-UHFFFAOYSA-N 350.849 5.193 30 1 FKEF COc1ccc(/C=C(\C)C(=O)/C=C/c2ccc(Br)cc2)cc1 653858632 MTRUEOUDHKOHGQ-MZXMXVKLSA-N 357.247 5.144 30 1 FKEF COC1=C(C)C2=C(C(=O)C1(C)C)[C@H](C(C)C)C[C@]1(CC[C@]3(C(C)C)C[C@H]13)O2 2356332557 GANQKRZEIAHQPL-FFLGGZPMSA-N 372.549 5.657 30 1 FKEF C=C(C1CCCCC1)[C@@H]1CC[C@](O)(C2CCCCC2)[C@@H]2CC[C@@](C)(O)[C@@H]2C1 2356614377 RGCHPGQIPMHSNM-MRPKTGBJSA-N 374.609 6.012 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](O)COC(=O)CCC 2356651898 HHBUOVHQWYDECD-OAQYLSRUSA-N 356.591 6.562 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC[C@@H](O)CCO 64625078 RWVSXDXGEPXFDB-XMMPIXPASA-N 370.662 7.552 30 1 FKEF biogenic,in-vitro CCCCCCCCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)O)O2 96272108 DLJWNISVSXDVIC-QFIPXVFZSA-N 362.510 5.519 30 1 FKEF N#Cc1cccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071179 MIVGJFQXRRCLPA-UHFFFAOYSA-N 359.816 5.334 30 1 FKEF C=CCc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587628044 FYPCZPTZHIMJDU-UHFFFAOYSA-N 364.645 6.118 30 1 FKEF CCCCCC/C=C\[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815012 JNGACIYSIKWOKT-KNHLYNJESA-N 368.334 5.864 30 1 FKEF C=C(C1CCCCC1)[C@@H]1CC[C@](O)(C2CCCCC2)[C@@H]2CC[C@](C)(O)[C@H]2C1 2356614378 RGCHPGQIPMHSNM-PLFWLVBQSA-N 374.609 6.012 30 1 FKEF [N-]=[N+]=Nc1cccc(CNCCCCNCc2cccc(N=[N+]=[N-])c2)c1 28260057 MHYNYULJPBTDCS-UHFFFAOYSA-N 350.430 5.230 30 1 FKEF C=CCc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587643709 ITTDADGGVZHRSQ-UHFFFAOYSA-N 357.207 5.234 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 587906890 YATZAZGFPZDNRC-UHFFFAOYSA-N 362.812 5.114 30 1 FKEF N#CCCc1cccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)c1 1857637079 CFZUFKXYODHRKC-UHFFFAOYSA-N 369.472 5.493 30 1 FKEF CCCCC=CC#CC#CCCCCCCCC[C@@H]1C[C@@H](COC)OC1=O 2356598268 LDAWMCULWDOTLF-PKTZIBPZSA-N 372.549 5.439 30 1 FKEF CC(=O)/C=C/c1ccc2c(c1)-c1[nH]c3ccc(C(C)(C)C)cc3c1CC(=O)N2 28966775 RIRSFHVPRNFHOH-AATRIKPKSA-N 372.468 5.229 30 1 FKEF COc1ccc(N2C(=O)/C(=C/C(C)(C)C)S/C2=N\c2ccccc2)cc1 40893051 FRSBMRXCRNIHAG-JHRGVAJVSA-N 366.486 5.393 30 1 FKEF O=C1C(c2cccc(Oc3ccccc3)c2)=C(O)N=C2C=C(Cl)C=C[C@H]12 101127349 WFXQBYPNXVHGRR-KRWDZBQOSA-N 363.800 5.038 30 1 FKEF Nc1ccc(C(=O)c2ccccc2)cc1/N=C1/C=C(O)C[C@H](c2ccco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c1oc(-c2cccc3ccccc23)nc1/C=N/c1nc2ccccc2s1 103537826 MOFMONXVGVKQEQ-WSDLNYQXSA-N 371.421 5.561 30 1 FKEF CCCCCCCCn1cc(CN2CCCCCC2)c2ccc(F)cc21 1772615759 WTGWYRYRUCNTKZ-UHFFFAOYSA-N 358.545 6.517 30 1 FKEF C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)OC 28861915 GZLMGJMELXAVPV-AFJQJTPPSA-N 356.506 6.141 30 1 FKEF C[C@H](/C=C\C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 206478506 AIWMJAGAGKKIFO-SOHPFERFSA-N 368.517 5.187 30 1 FKEF CCCCCCC[C@@]1(c2ccc(N)cc2)CC(=O)c2cc(C)cc(N)c2O1 587389873 MSYRMZKBUSAQJF-QHCPKHFHSA-N 366.505 5.381 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(F)cc(F)c(C(F)(F)F)c1F 587913861 LIBBONWGJCROPK-UHFFFAOYSA-N 364.672 5.185 30 1 FKEF N#Cc1cc(Cl)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587950748 ULPGBDJKXUAALD-KHPPLWFESA-N 371.827 6.051 30 1 FKEF CCCCC=CCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O 2356558057 KQWFKXIAVOXCLU-UHFFFAOYSA-N 362.510 6.040 30 1 FKEF CCOC1=CC(=O)C2=C(C[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)CCC[C@]43C)C2)C1=O 2356799421 UKZZXHRGEFTKRE-FAYOUJPWSA-N 370.533 5.398 30 1 FKEF Brc1ccc(/C(=N/c2ccccc2)Nc2ccccc2)cc1 5934361 RBWHNKLKKYGCFL-UHFFFAOYSA-N 351.247 5.640 30 1 FKEF CCCCCCCCCCCCCCCCNc1ccc(C(C)=O)cc1 49589389 PGHQQNMPWTYXNG-UHFFFAOYSA-N 359.598 7.782 30 1 FKEF CCCCCCCc1cc(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]c1C 53296167 RSQIMZJGVPOAIK-STZFKDTASA-N 351.494 5.538 30 1 FKEF C=CCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1CC=C 84733841 RMZFJXJAFBOBMX-UHFFFAOYSA-N 351.490 5.135 30 1 FKEF CCCCCCCCCCCCc1ccc(C(=O)N2CCC[C@H]2CO)cc1 103275299 RXAYXQOCJGSAFT-QHCPKHFHSA-N 373.581 5.747 30 1 FKEF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C#N)cc(Cl)c2[nH]1 587114926 ZMGDPDPXUGMKGJ-SNVBAGLBSA-N 363.770 5.453 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)cc(OCc2ccccc2)c1 587916999 WBQFKYRCHRGMTK-UHFFFAOYSA-N 366.819 5.467 30 1 FKEF N#CCCCC[C@@]1(c2cccc(C#N)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963097426 FFGSGUOJPCYHCO-LADGPHEKSA-N 373.475 5.045 30 1 FKEF CC(C)(C)c1ccc(C/N=C(\S)NCc2ccc3[nH]ccc3c2)cc1 13672892 CNFNOYSVUZDQQP-UHFFFAOYSA-N 351.519 5.041 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3OC(F)(F)F)c(C#N)c2c1 587643835 XINLQIKWJUPQJE-GFCCVEGCSA-N 358.363 6.119 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CCC[C@H]3CCCO)s2)s1 2356357566 SHZNWUJGCWLQOJ-HOCLYGCPSA-N 358.528 5.220 30 1 FKEF CC=C1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356455619 BCMOWDMOMYVIPH-JJKGZYBGSA-N 355.566 5.262 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCc4ccccc4)C3)CC[C@H](C)[C@]2(C)[C@H]2[C@H]1C2(C)C 2356498190 MECWLRVJWAMIJR-VANCGWGWSA-N 374.612 7.610 30 1 FKEF CCCCCCCCN1c2ccccc2C(=O)N(O)[C@H]1c1ccccc1 2382222740 QBZZVDOUYICZBW-NRFANRHFSA-N 352.478 5.397 30 1 FKEF CCCCCCCCCC/C=C/CCCCCCCCCCOC(C)=O 59725399 NIEJCCYMORIFCX-OUKQBFOZSA-N 366.630 8.147 30 1 FKEF CCOc1ccc2nc(N/C(=C\C(=O)c3ccccc3)SC)sc2c1 95593154 BGCRPWUVQVAGMX-LDADJPATSA-N 370.499 5.194 30 1 FKEF N#Cc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587047558 KVUJBGIXLWJOKZ-UHFFFAOYSA-N 364.235 6.075 30 1 FKEF CC[C@H](C)CCCCCCCCCCC(O)=C1C(=O)[C@H](C)N(C)C1=O 2356438057 QDDWPSIPKTZOEU-IRXDYDNUSA-N 351.531 5.175 30 1 FKEF CCCCCCCCCC[C@@H](OC(=O)c1cnc(Cl)cn1)C(C)(C)C 43366300 BMHUQVBZSRSZFG-QGZVFWFLSA-N 368.949 6.232 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC1CCCCC1 100166957 PSPNTGGVAYLSJO-UHFFFAOYSA-N 364.702 9.999 30 1 FKEF biogenic CCCCCCCSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100999820 KJSNNKBWTXQJLG-AOAQQZSBSA-N 368.583 5.685 30 1 FKEF C=C1C=C[C@@H]2[C@@](C)(COC(C)=O)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)OC 238742597 DMYYYSYORLBYSN-LKGDQWORSA-N 374.521 5.004 30 1 FKEF Fc1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C(F)(F)F 587097703 MZSWWNWMGLQPFJ-UHFFFAOYSA-N 364.220 5.286 30 1 FKEF CCCCCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814247 SHHRAQDRJIUAFE-UGSOOPFHSA-N 356.323 5.698 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)/C=C\c2ccccc2)cc1 587905460 VUMFKMMWJSEFDL-GDNBJRDFSA-N 372.851 5.645 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(C2(C(F)(F)F)N=N2)cc1 587913672 BOUPWKHNRZBRAP-UHFFFAOYSA-N 364.754 5.124 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(C(F)(F)F)cc1N 587914021 SSVYRFWCCHJWCG-UHFFFAOYSA-N 360.162 5.003 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccsc1NC(=O)OC(C)(C)C 587919179 UGDUEZIAPWLXPF-UHFFFAOYSA-N 363.866 5.157 30 1 FKEF N#Cc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1C#N 587949394 FFEBGOYDDDCSKM-KHPPLWFESA-N 362.392 5.269 30 1 FKEF N#Cc1ccccc1-c1ccc(CNc2cccc(C(F)(F)F)c2)cc1 653899237 UYMJZACIWZCTAP-UHFFFAOYSA-N 352.359 5.856 30 1 FKEF CCCCCCCCCC[C@@]1(c2ccccn2)NCCc2ccc(O)cc21 963329613 PPHOHLSARFGCMZ-XMMPIXPASA-N 366.549 5.707 30 1 FKEF Clc1ccc(-c2csc(N/N=C/c3cc4ccccc4s3)n2)cc1 1857579645 DICUTMVGROQXJP-KEBDBYFISA-N 369.902 6.124 30 1 FKEF N#Cc1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 143411704 NQILYUAXZFKNNO-HXUWFJFHSA-N 351.327 5.004 30 1 FKEF CC(Nc1ccccc1C(F)(F)F)=C1C(=O)CC(c2ccccc2)CC1=O 169344568 NEZFZWXHJLUAKC-UHFFFAOYSA-N 373.374 5.107 30 1 FKEF CCCCCC/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990389 CYXROWCNDTVJNU-JXMROGBWSA-N 357.453 6.135 30 1 FKEF Cc1cc(C)c2c(C#N)cn(-c3ccc(C(C)C)cc3Br)c2n1 13794619 PIGVJMHCKKTORD-UHFFFAOYSA-N 368.278 5.400 30 1 FKEF CCCCCCCCCCNC(=O)C(Cl)(C(F)(F)F)C(F)(F)F 68574153 UCKZFLRUWXJQNR-UHFFFAOYSA-N 369.777 5.346 30 1 FKEF biogenic CCCCCCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O 85966328 ZEQRHCARMLYAIG-QLYVMBGISA-N 366.586 6.481 30 1 FKEF CCOc1ccc(NC(=O)C/C(=N/c2ccccc2)c2ccccc2)cc1 100427830 WHAMZFYDMJTIKX-GYHWCHFESA-N 358.441 5.235 30 1 FKEF Cc1ccc2ccccc2c1-c1nc2cc(C#N)cc(Br)c2[nH]1 586883000 DRNKJJWAYHQMMO-UHFFFAOYSA-N 362.230 5.326 30 1 FKEF COc1ccc(/C=C2\CCC/C(=C\c3ccccc3Cl)C2=O)cc1OC 1857656100 LPJGNHNPZWLRME-NXGXIAAHSA-N 368.860 5.577 30 1 FKEF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(O)cc1 1911575075 DZPFFOJAHGUHDM-DTQAZKPQSA-N 365.432 5.812 30 1 FKEF CC(=NCCCN=C(C)C1=C(O)C[C@@H]2[C@@H]1C2(C)C)C1=C(O)C[C@H]2[C@H]1C2(C)C 2356823979 GQSYNRVWXDMYPD-ZFJWPNLUSA-N 370.537 5.274 30 1 FKEF O=C1C=C(c2ccc3c(c2)oc2ccccc23)C[C@@H](c2ccc(Cl)cc2)C1 36388379 UDFCCSXXEFGYTD-QGZVFWFLSA-N 372.851 6.770 30 3 FKEF N#Cc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 29136305 UECDFNXRNTVVNG-UHFFFAOYSA-N 353.812 6.061 30 1 FKEF CC#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45338529 QJLNDOGFEHMGMZ-UHFFFAOYSA-N 374.484 5.170 30 1 FKEF O=C1/C(=C/c2coc3ccc(Cl)cc3c2=O)Oc2cc3ccccc3cc21 103299782 HQAPZUUUSHGIPB-UKWGHVSLSA-N 374.779 5.216 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)c2ccccc2)cc1 587906567 LIZAVZCFAFATQT-UHFFFAOYSA-N 361.828 5.001 30 1 FKEF C=C(CNC(=O)CCCCCCCCCCCCCC(C)C)C(=O)O 2356801671 RPVWOZKIIRQXER-UHFFFAOYSA-N 353.547 5.471 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(CCCC=O)c(NC(=O)OC(C)(C)C)c2c1 587643323 SZQUILFFRLIZRD-CQSZACIVSA-N 358.482 5.550 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1-c1nc2ccccc2o1 587901589 JTSWGNRWMXPNAA-UHFFFAOYSA-N 359.812 5.557 30 1 FKEF N#CCCCC[C@@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963103824 ODBFYAKGOQWVID-JTHBVZDNSA-N 366.455 5.313 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CC[C@H](P(=O)(O)O)C1 36178388 MVIUMKOQNNKAJB-OALUTQOASA-N 361.507 5.376 30 1 FKEF in-vivo CCCCCCCCC#CC/C=C\C=C\Sc1cccc(C(=O)OC)c1 36222950 RVYVEFPIDDSYLV-GCYSJDCNSA-N 370.558 6.779 30 1 FKEF CCCCCCCCCCNc1nc(C)nc(C(Cl)(Cl)Cl)n1 103196053 IUKORHHKUDGANM-UHFFFAOYSA-N 367.752 5.559 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc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c2cc([C@H](C)[C@H](C)CCCCC)cc(O)c2[C@@H]2C=C(C)CC[C@@H]12 27865537 XSVGNKMGHGRMPZ-CMCXCUNFSA-N 368.561 7.101 30 1 FKEF N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(Oc2ccccc2)c1 28255575 AQAZIJJBKQIIAP-UHFFFAOYSA-N 367.408 5.388 30 1 FKEF C=CCN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 100872611 QSXQUGAVUQQEHB-FUDKSRODSA-N 367.920 5.627 30 1 FKEF C=C[C@@](C)(/C=C/c1ccc(O)c(/C=C(\C)C(=O)OCC)c1)CCC=C(C)C 653739744 JWGJSIQKRXAUMU-NARBMHIISA-N 368.517 6.311 30 1 FKEF CC(C)(C)c1nnc2[nH]c(-c3ccccc3)c(C#N)c(CCC(F)(F)F)c1-2 1772628911 GPICUDNHJVPIGQ-UHFFFAOYSA-N 372.394 5.241 30 1 FKEF O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccc(CO)c2)c2ccccc21 1857614789 ZHNUDCLZYIXJQC-HSZRJFAPSA-N 371.461 5.045 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H](C(C)C)[C@H](O)C[C@]3(C)CC=C(C)CC[C@H]12 2356380979 XFTVUNNLOZHXIM-IJEZIDCYSA-N 356.594 6.695 30 1 FKEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@H](NC(=O)NCCc3ccccc3)[C@H]12 2356609030 YPAHERAMILUYQP-HOUBMWHVSA-N 368.565 5.326 30 1 FKEF C=CCc1cc(C(c2ccc(O)c(CC=C)c2)c2ccccn2)ccc1O 28707464 JQMPPJVXAHTUKE-UHFFFAOYSA-N 357.453 5.130 30 1 FKEF Clc1ccc(-c2csc(N/N=C\c3cccc4ccccc34)n2)cc1 31904281 KHRSEXKJKGPXEB-UUYOSTAYSA-N 363.873 6.063 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)CCC[C@H](O)CCC(C)C)s2)s1 85592374 PJWRMGUYTJNJLR-INIZCTEOSA-N 374.571 5.998 30 1 FKEF biogenic,in-vitro C=C/C=C\CCCCCCCCCCCCC/C=C\CCCCCCCC 219235970 ALOCDLUUNKDQHB-HEGMRUTBSA-N 374.697 10.107 30 1 FKEF O/N=C1\C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 299807581 UVRVZIONWIGDLH-XVOXALLOSA-N 360.501 5.033 30 1 FKEF C=CCn1c(O)c(N=NC(=S)Nc2cccc(C)c2)c2ccccc21 299813125 AEOCCSKJQVZLNC-UHFFFAOYSA-N 350.447 5.322 30 1 FKEF aggregator CC1=CC(C)(C)[C@@]2(C)OC(=O)C(=C2C)C(C)(C)C(C)(C)C(C)=C(C)C1=O 2356570003 VBXZKEISSNPXAH-QHCPKHFHSA-N 358.522 5.562 30 1 FKEF COc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 28520522 YPOKTNOPARZWJX-FRKPEAEDSA-N 372.424 5.235 30 1 FKEF O=C(/C=C/c1ccccc1)c1ccc(Nc2cc(=O)oc3ccccc23)cc1 103199542 DSEZWXVJJKPTIH-XNTDXEJSSA-N 367.404 5.433 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc3[nH]ccc3c2)c2c1C=CC(C)(C)O2 169311446 YETQEFUXQJIVSB-VMPITWQZSA-N 359.425 5.257 30 1 FKEF COc1ccc([C@@H]2c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)c1 963209424 WUGZPBXWGJOPIZ-JWQCQUIFSA-N 368.480 5.216 30 1 FKEF COc1ccc(Nc2ncccc2/N=C/c2nc3ccccc3s2)cc1 1772593849 MHJKVQKUOMJMDJ-LPYMAVHISA-N 360.442 5.194 30 1 FKEF CCCCCCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1 1857540937 RVQGVPSLTNTVKL-FYWRMAATSA-N 354.512 5.014 30 1 FKEF COc1cc(/C=C/C(C)=N/Nc2nc(-c3ccccc3)cs2)ccc1O 1857747236 FDPVHVZRCMHTRU-LXCYGRFXSA-N 365.458 5.026 30 1 FKEF CC[C@H](C)C[C@H](C)C[C@@H](C)C=C(C)C1=C(C)C(=O)[C@](C)(OC(C)=O)O1 2356806362 VSGNCAUKXNGOCW-FQSKDFRHSA-N 350.499 5.184 30 1 FKEF CCOC(=O)[C@](C)(C#N)[C@H](c1ccccc1OC)c1cccc2ccccc12 28865619 CBUZULIIAXHASW-LADGPHEKSA-N 373.452 5.073 30 1 FKEF CCCCCCCCCCCCCCC(=O)C(=O)NCCCCC(=O)O 66156638 KUTYUFRFLBRFQJ-UHFFFAOYSA-N 369.546 5.018 30 1 FKEF CCCCCCCCCCCCC[C@@H](C)CCCCCCCCCCC 138471817 WVLZDJILKAOTQJ-SANMLTNESA-N 366.718 10.245 30 1 FKEF CCCCCCCCCCOC(=O)c1ccc(OCc2ccccc2)cc1 169342419 JVGXNDWILAWWEH-UHFFFAOYSA-N 368.517 6.563 30 1 FKEF CCCCCCCCn1cc(C(=O)N2CCCCCC2)c2cc(F)ccc21 1772653723 RZHPSNYSYSNPAD-UHFFFAOYSA-N 372.528 6.157 30 1 FKEF O=C(CCCCC#Cc1cccc(Cl)c1)c1ncc(-c2ccccn2)o1 14980011 KEBNWMOWLIFASI-UHFFFAOYSA-N 364.832 5.185 30 1 FKEF C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/COC(C)=O 238774650 HSANNLXBHKRHSH-KEUIBQCHSA-N 362.510 5.140 30 1 FKEF C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)COC(=O)c1ccccc1C(=O)O 299831653 DLTZBSAAVPNOMR-DHJUGAMNSA-N 368.473 5.283 30 1 FKEF C=CCc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587638774 PRONXLRCSPFLDV-UHFFFAOYSA-N 356.219 5.024 30 1 FKEF CCCCCCCCC[C@@H](C)CCC/C(O)=C1\C(=O)[C@@H](C)N(C)C1=O 100090419 WGGHNDTUKMWTHN-BNIZFGOISA-N 351.531 5.175 30 1 FKEF in-vitro Cc1ccc2[nH]c(-c3ccccc3)c(-c3[nH]c(=S)[nH]c(=S)c3C#N)c2c1 103273028 CPLNIYKETFRTRM-UHFFFAOYSA-N 374.494 5.797 30 1 FKEF CCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)OC 238782027 BPMDJBLHOBBFPO-UKTKCZHSSA-N 364.614 7.923 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C[C@@H](c4ccccc4)C4=CC(=O)CC[C@]43C)[C@H]1CCC2=O 253851982 LVJHBULIPHDPOH-JHGMGJGUSA-N 362.513 5.481 30 1 FKEF C=CCC(C)(C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587954380 RNSHVMKHXRDTRB-UHFFFAOYSA-N 363.177 5.078 30 1 FKEF O=C[C@@H](c1cccc(Cl)c1)[C@@H]1c2ccsc2CCN1Cc1ccco1 962704161 IZVDQNDJTXLASM-ICSRJNTNSA-N 371.889 5.077 30 1 FKEF C[C@@]1(c2ccc(S)cc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963192223 QJXDPUKSDOLOIC-DNQXCXABSA-N 370.521 5.362 30 1 FKEF CCCCCCCCCCC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2356829897 IDRCIVKNTDTTOQ-UHFFFAOYSA-N 364.446 5.822 30 1 FKEF CSc1nc(Nc2ccc(Cl)cc2)c(C#N)c(-c2cccc(F)c2)n1 27844421 QCTYZNIBBAOVFD-UHFFFAOYSA-N 370.840 5.273 30 1 FKEF Cc1cc(Oc2ncccc2/C(=N/O)N2[C@@H](C)C=C[C@@H]2C)cc(C(C)C)c1 72184295 DREMLMHYXFMESM-ZHIKWXMISA-N 365.477 5.090 30 1 FKEF O/N=C(/c1ccc(Oc2cccc3ccccc23)nc1)N1CCCCCC1 101811976 XWFWKVJFLUBUTC-GYHWCHFESA-N 361.445 5.039 30 1 FKEF C=CCCCC/C=C\C#CCCCCCCCC[C@@H]1C[C@@H](CO)OC1=O 199652402 RNDRAGJYHLXUOB-XPWGKKGLSA-N 360.538 5.337 30 1 FKEF C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccn1 299823053 CUEHPRFMGPZGQA-UFFVCSGVSA-N 363.273 5.348 30 1 FKEF Cc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1C#N 587187979 LMQLZNRIWANJCV-UHFFFAOYSA-N 366.449 5.687 30 1 FKEF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c1 587241958 LZHOWYHYKBAKNM-UHFFFAOYSA-N 366.852 5.130 30 1 FKEF CC(C)=CCC/C(C)=C/CNC(=O)[C@H]1CC=C(C(C)C)[C@]12C=CC(=O)CC2 653809987 IOPSEJYEJPMCSD-DVJXQAEMSA-N 369.549 5.303 30 1 FKEF CC(=O)ON(/C=C\C(=O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 38621973 XNJNIOGSNJYFTB-MSUUIHNZSA-N 371.436 5.030 30 1 FKEF CCCS[C@@H](CC=C(C)C)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O 40423614 KDHXLIQVAJAIPZ-SFHVURJKSA-N 374.502 5.180 30 1 FKEF CCCCCCCN(Cc1cccs1)C(=O)Nc1cc(C)c(C)cc1C 44281142 KFADSCPAQJZRLC-UHFFFAOYSA-N 372.578 6.678 30 1 FKEF C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(OC)cc2)c(OC)cc1OC 45302883 VOEAAPYZAXMOKZ-JLHYYAGUSA-N 366.457 5.072 30 1 FKEF C[C@@H]1/C(=N\OCc2ccccc2)C[C@@H](c2ccccc2)O[C@H]1c1ccccc1 101840777 DAMINAFEYWJFDP-ACJROAIMSA-N 371.480 6.098 30 1 FKEF C=CCc1cc(/C=C2\CC/C(=C\c3ccc(O)c(CC=C)c3)C2=O)ccc1O 103267849 XQIJHGRZEWPJGS-YHARCJFQSA-N 372.464 5.385 30 1 FKEF CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CC)[C@@H](C)CCC 169622424 SXBQGMISTDXSCC-HJCBPWMVSA-N 366.630 8.002 30 1 FKEF CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@@H]4CC=C3C1(C)C 255228766 LUSKLCMHXMKJNA-AHBHKRADSA-N 367.577 5.443 30 1 FKEF CCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601243 RQQDZDKMTPOMBF-SIKLNZKXSA-N 354.446 5.473 30 1 FKEF CC(=O)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625891 LRVAFBPSEKJCDQ-UHFFFAOYSA-N 363.179 5.427 30 1 FKEF CCC=CCCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@@H](CCCCCCC)NC(=N1)N23 2356319630 RTIHUTXMEHQCPS-YUMYIRISSA-N 359.602 5.807 30 1 FKEF C=C(CCC=C(C)C)[C@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(\C)CC1 13385096 AJSOCTGMVJYROT-XWTSOGJVSA-N 356.594 7.461 30 1 FKEF CC(=O)C1=C(C)Nc2cc(Cl)ccc2S[C@@H]1c1ccc(Cl)cc1 43120301 AHURKCUSPHKHHO-GOSISDBHSA-N 364.297 6.115 30 1 FKEF CCCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N 66099626 YNGGHLZLOJRLBM-UHFFFAOYSA-N 361.961 6.707 30 1 FKEF COc1ccc(C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)CC(C)C)cc1 299865546 UHFGWCUCIYJONZ-GHRIWEEISA-N 362.391 6.026 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(C#N)c2c1 587639016 MPVFDOWGDOTGSZ-GFCCVEGCSA-N 353.263 5.983 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CCCC34CCCC4)s2)s1 2356357980 WGWMGNNPZXBJKB-MRXNPFEDSA-N 354.540 6.391 30 1 FKEF CCSC(=O)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C 28948296 RYIURRIUSKMENC-MNDPQUGUSA-N 350.553 5.746 30 1 FKEF CC1(C)CCc2c(c3ccccc3c3nc(-c4cccc(C#N)c4)[nH]c23)O1 38357756 XLEBRCBCFJHQGI-UHFFFAOYSA-N 353.425 5.358 30 1 FKEF COc1ccc(/C(C)=N/Nc2csc(-c3ccc4c(c3)CCC4)n2)cc1 40428688 MHCWHCAYZSPHOZ-OEAKJJBVSA-N 363.486 5.144 30 1 FKEF C/C=C\CCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 85508665 MNVVQRHSKMPYJZ-ARJAWSKDSA-N 362.510 5.738 30 1 FKEF biogenic,in-vitro C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O 85992602 ULWOIBVJYLRVQJ-QLCXNNNDSA-N 362.510 5.140 30 1 FKEF CN(C)c1ccc([C@@H](C/C(=N\O)c2ccc(F)cc2)c2ccccc2)cc1 96273752 FLCLLQKZJXJUQW-LFIUJEBDSA-N 362.448 5.292 30 1 FKEF CCCCCCCCCCCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443644 BGBPQZLPUCOZNO-SFTDATJTSA-N 372.549 6.512 30 1 FKEF Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2cccc(F)c12 587633844 LTWHEQJTSSWZJD-UHFFFAOYSA-N 361.260 6.320 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587965084 GTLRABIQCNSKRC-YPKPFQOOSA-N 370.477 5.919 30 1 FKEF CCCCCCC=CCC=CCCCCCCCC(=O)OC[C@@H](O)CO 2356397960 SJQQXPNOXOIRKD-NRFANRHFSA-N 368.558 5.086 30 1 FKEF C=C1C=C[C@@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@@H]1CCC(C)=CC(=O)OC 2356439097 DMYYYSYORLBYSN-YXPKMTABSA-N 374.521 5.004 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC=C(CO)CCC=C(C)CCC=C(C)CC1 2356542814 AJSOCTGMVJYROT-RUZDIDTESA-N 356.594 7.461 30 1 FKEF CCCc1cc(/N=C(\Nc2nccs2)NC(C)(C)C)c2ccccc2n1 5315908 PKFZSHWGLSTODX-UHFFFAOYSA-N 367.522 5.132 30 1 FKEF CCCCCCN(C)[C@H](C)Cc1cc(OC)ccc1C#Cc1ccccc1 27710845 RJUJJWQJDHOPPM-OAQYLSRUSA-N 363.545 5.538 30 1 FKEF CCCCCCCCCCCCCCC[C@@]1(OC)C[N+](C)(C)CCO1 36079860 FWFTYMIKNWJPDS-QFIPXVFZSA-N 356.615 5.917 30 1 FKEF CCCSc1sc(C(=O)O)c(-c2ccc(C(C)(C)C)cc2)c1C#N 38147742 HQHWQUUGOSGZGE-UHFFFAOYSA-N 359.516 5.785 30 1 FKEF CCCCCCCCC/C=C/CCCNc1ccc(C(=O)OCC)cc1 43676962 OTHMUKVQMJHRIA-OUKQBFOZSA-N 359.554 6.752 30 1 FKEF CCCCCCCCCCn1c(-c2cccc(Cl)c2)n[nH]c1=S 95597637 QSYIALLFCAJHQH-UHFFFAOYSA-N 351.947 6.402 30 1 FKEF CCCCC#Cc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587476793 BIGFWEYLPYJVJC-QHCPKHFHSA-N 362.469 5.593 30 1 FKEF CCCCO[C@H](COC)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906206 UUDQGTXVMUEBQX-JOCHJYFZSA-N 372.892 5.253 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(Cl)nc(C(F)(F)F)c1 587914869 PMQVEWLZVXXYSL-UHFFFAOYSA-N 360.162 5.010 30 1 FKEF C=CC[C@]1(CCC)C(=O)S[C@@](C)(CCCCCCCCCC)C1=O 38154630 SPAGNSNRICBDQI-LEWJYISDSA-N 352.584 6.481 30 1 FKEF C=C(CCc1ccc(C)cc1)C1=C(C)C(=C)[C@@H]2CC[C@@H](CC#N)C(C)(C)C2=C1 43071138 AOIQERYGVZXFRM-ZEQRLZLVSA-N 371.568 7.263 30 1 FKEF Cc1ccc(/N=C(/Cc2ccc(Cl)cc2)c2ccc(O)c(O)c2)cc1 49046492 ZKCJIASOFRDSDG-NMWGTECJSA-N 351.833 5.423 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587067102 NQNIVUSSHUUHKG-UHFFFAOYSA-N 370.839 5.156 30 1 FKEF CC(C)(C)[C@@]1(c2ccccc2C#N)NCCc2c(Cl)cc(Cl)cc21 963121546 NCXUSJGELYKMJQ-FQEVSTJZSA-N 359.300 5.300 30 1 FKEF CCCCCCCCCCCCCCCC=C1C(=O)O[C@H](OC)[C@@H]1O 2356441373 PDYYNJRNSPYYHH-CTNGQTDRSA-N 354.531 5.284 30 1 FKEF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C2C(=O)C=CC2=O)C(C)(C)CCC1 43439608 FDUWPFQDBAUKJS-HCMFYWEISA-N 362.513 6.152 30 1 FKEF CCS/C(=N\C(=N\c1ccc(C)cc1)c1ccccc1)N1CCCCC1 53186742 MGBUWPSTDPVFLM-CFPQKXLCSA-N 365.546 5.668 30 1 FKEF CCCCCCCCCCCCCCCNCCc1c[nH]c2ccccc12 53243716 UDAFOARANFPLNL-UHFFFAOYSA-N 370.625 7.391 30 1 FKEF biogenic CCCCCCCCCCCCCCN[C@@H]1CC[C@H](P(=O)(O)O)C1 95606566 MVIUMKOQNNKAJB-MOPGFXCFSA-N 361.507 5.376 30 1 FKEF in-vivo C[C@@]1([C@H](C#N)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498656 FLOAOUYCRRKLMF-KNQAVFIVSA-N 365.860 5.250 30 1 FKEF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 587931616 BOUIXOJIXBSGDJ-HXUWFJFHSA-N 373.843 5.277 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC=C(C)CCC=C(C(=O)O)CCC=C(C)CC1 2356466472 HJOWIGBOCUVVEY-HSZRJFAPSA-N 370.577 7.553 30 1 FKEF CCCCCCCCCCCCCCCC(=O)SCCNC(C)=O 14880555 GDVZALUOXPTSHD-UHFFFAOYSA-N 357.604 5.864 30 1 FKEF in-vivo N#Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)cc1 35259957 NWKAGRFQZYTCQZ-UHFFFAOYSA-N 358.441 5.589 30 1 FKEF CCCCCCCCCCCCCC[C@@H](N)CNCCCCC(=O)O 43285551 KXHYLUANGPTSRF-HXUWFJFHSA-N 356.595 5.249 30 1 FKEF CCO/N=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4cc[nH]c34)c(F)c21 71296562 MTAFUPWVPKKRQG-WGOQTCKBSA-N 369.415 5.448 30 1 FKEF CCCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC2=C1C(=O)CCC2 82055785 IGUPHOVYNOSSCZ-HXUWFJFHSA-N 351.446 5.017 30 1 FKEF C=C1CC[C@@H]2[C@@H](C1)c1c(OC)cc(CC[C@H](CC)CCC)cc1OC2(C)C 89455902 PQTIXLXOFRTCMC-HMXCVIKNSA-N 370.577 7.065 30 1 FKEF CCCCCCCCn1c2ccccc2c2cc[n+](Cc3ccccc3)cc21 96922763 JIBYHYGLRJEKDE-UHFFFAOYSA-N 371.548 6.491 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141037981 DYVZZHJKTCILQD-WRUJZFPBSA-N 373.540 5.997 30 1 FKEF N#Cc1ccccc1SC1=C(O)C[C@H](c2cccc(Cl)c2)CC1=O 299830903 ZDEZLGRSCYAAJW-AWEZNQCLSA-N 355.846 5.220 30 1 FKEF C=CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587810937 DUGCQMOSUPDAAC-VLIAUNLRSA-N 374.297 5.332 30 1 FKEF C[C@H]1C[C@H]2C3=CC=C(c4cncc(N)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1772634893 COIURCOJQCFJAD-PEKKKWNOSA-N 374.528 5.355 30 1 FKEF N#Cc1ccc(-c2cc(OCc3ccc(Cl)cc3Cl)ccn2)s1 1857770102 BPSDBEBXBVKDBP-UHFFFAOYSA-N 361.253 5.568 30 1 FKEF C=C(C)[C@H]1CCC(C)=CCCC(C(=O)O)=CCCC(C)=C[C@H]1OC(C)=O 2356519965 UEZWBWGIEOHSAA-NHCUHLMSSA-N 360.494 5.368 30 1 FKEF C=CCS[C@H](C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 14968722 GWXSFBMSMRCBDS-MRXNPFEDSA-N 365.542 6.257 30 1 FKEF CCCC[C@@H](CC)CNc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N 33855461 BNLGSPUVPWVNLE-SNVBAGLBSA-N 358.700 6.018 30 1 FKEF CCCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 36351964 QXGPHMISVLJYDS-UHFFFAOYSA-N 360.501 6.390 30 1 FKEF in-vivo CCCCCCCCCCCCCCC(=O)OCCC[n+]1ccccc1 43620378 RLHIGEUXGPAOGC-UHFFFAOYSA-N 362.578 5.999 30 1 FKEF C[C@H]1/C(=N\OCc2ccccc2)C[C@@H](c2ccccc2)O[C@@H]1c1ccccc1 101840781 DAMINAFEYWJFDP-IFRNSZNXSA-N 371.480 6.098 30 1 FKEF CCCCCCCCCCC/C=C/C=C/CCCC(=O)OC[C@H](O)CO 103185578 CEPAYHKRLMYIBN-XNVSEONFSA-N 368.558 5.086 30 1 FKEF Cc1cc(C)c(Nc2cc(Nc3ccc(C#N)cc3)ncc2[N+](=O)[O-])c(C)c1 103256934 URJLKPWNPIURBX-UHFFFAOYSA-N 373.416 5.274 30 1 FKEF COc1ccc(-c2ccc(-c3nc4cccc(C#N)c4[nH]3)c(F)c2)c(F)c1 587153358 YWRUGXAPHMBEDS-UHFFFAOYSA-N 361.351 5.055 30 1 FKEF CCCCCCC[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207882 OGVTWWFJQFBZEA-KRWDZBQOSA-N 369.508 6.837 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Br)c2ccccc2n1 587913087 HBKIXKCCYCFNPQ-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF C[C@H](CC1CCOCC1)[C@H]1c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963187745 JHNUBSVHBIIART-NGXZDTIWSA-N 374.528 5.303 30 1 FKEF Clc1ccc(/C=N\Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 1857547872 GBKJXJZXGUCMCP-XKZIYDEJSA-N 363.873 6.063 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](O)COC(=O)C(C)C 2356528041 SIGXECSTAGRYAX-OAQYLSRUSA-N 356.591 6.418 30 1 FKEF Oc1cccc(/C=N/c2ccc(/N=C/c3cccc(O)c3)c3ccccc23)c1 28604421 SPQBMTYXGDKPIZ-RYQLWAFASA-N 366.420 5.752 30 1 FKEF ClC1=C(/C=N/Nc2nc(-c3ccccc3)cs2)CCc2ccccc21 28712305 GLOSARCGIFYGRV-WSDLNYQXSA-N 365.889 5.804 30 1 FKEF COc1cccc(/C=C/C(=O)c2sc(Nc3ccc(C)cc3)nc2C)c1 64526946 NWUAFQIRHVXXHV-FMIVXFBMSA-N 364.470 5.408 30 1 FKEF Cc1ccc(/C(=N/O)N2[C@H](C)C=C[C@H]2C)c(Oc2cccc(C(C)C)c2)n1 72185710 CVMVAMCGAIIGTQ-OHJTVKIKSA-N 365.477 5.090 30 1 FKEF CCCCCCCCCCCCCCCCCCC(=O)CCCCCC 86040210 ZKISAEBFBKQQID-UHFFFAOYSA-N 366.674 9.178 30 1 FKEF endogenous,in-man CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2c1ccc(O)cc1 143316198 HFFNUYVHXYPZSW-JOCHJYFZSA-N 370.448 5.713 30 1 FKEF CCCCCCCCCCN1CCC[C@@H](C(=O)N(CCC)CCC)C1 169345693 SKWZMIRZELNHEN-OAQYLSRUSA-N 352.607 5.488 30 1 FKEF Cc1[nH]n(-c2ccccc2)c(=S)c1/C=N/c1ccc(Br)cc1 169686831 QFZXLUJHFAWXJG-YBFXNURJSA-N 372.291 5.356 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(N2CCCCC2)c1 587904295 HTMHFBGZZIOIOG-UHFFFAOYSA-N 360.284 5.392 30 1 FKEF CC1=CC(C)(C)Nc2ccc(Cc3ccc4c(c3)[C@]3(C)O[C@H]3C(C)(C)N4)cc21 2356539427 NYOWOQUEQHRHDZ-DHLKQENFSA-N 374.528 5.703 30 1 FKEF Cc1cc(Cl)cc(Cl)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 5930705 WLOFPRRWQFNHBX-UHFFFAOYSA-N 370.243 5.451 30 1 FKEF N#CCCc1ccc(-c2cc3ccccc3n2C(=O)c2ccccc2)cc1 28822994 QTTITSQRAWWOBG-UHFFFAOYSA-N 350.421 5.453 30 1 FKEF CCCCCCCCCCCCCCN(CC)c1ccc(C(=O)O)cc1 43706217 ITBZZXUNTUJHNJ-UHFFFAOYSA-N 361.570 6.912 30 1 FKEF CC(/C=C/c1ccccc1)=N\Nc1ccc(-c2nc3ccccc3[nH]2)cc1 98083241 NBCMFVVRQLPTLM-YXAHNRLDSA-N 352.441 5.731 30 1 FKEF C=C(C)[C@@H]1CC=C(C)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100345 HFZSTVQCBIAFMB-INIZCTEOSA-N 351.449 6.221 30 1 FKEF CCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1CC3 587213626 LKKABNUAJSYATK-UHFFFAOYSA-N 357.541 7.294 30 1 FKEF C=CC[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355788 WCRZZYJPFPVUIY-FQQGMQMYSA-N 366.432 5.395 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2cn3ccccc3n2)c1 587904939 FDWSXLCAPZSYDY-UHFFFAOYSA-N 358.828 5.063 30 1 FKEF C=CC[C@H](CCC(C)=CC=CCCC=C[C@@H]1CSC([C@H]2C[C@@H]2C)=N1)OC 2356504961 LUEYTMPPCOCKBX-CBPXPLCBSA-N 373.606 6.367 30 1 FKEF CON=C(C)Cn1nc(-c2ccccc2)c2cccc-2c1-c1ccccc1 2356842996 NAPRDVDOJCFZAV-UHFFFAOYSA-N 355.441 5.344 30 1 FKEF CN(C)c1ccc([C@H](C/C(=N\O)c2ccc(F)cc2)c2ccccc2)cc1 96273753 FLCLLQKZJXJUQW-SCXRQHMSSA-N 362.448 5.292 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccccc2C(=O)O)cc1 587906562 LBFTXMMJPDMCHL-UHFFFAOYSA-N 362.812 5.114 30 1 FKEF S=C(N/N=C/c1ccc2ccccc2c1)Nc1cccc2ccccc12 1857772724 ZSNFFDIEHGRJBQ-HZHRSRAPSA-N 355.466 5.314 30 1 FKEF C=C[C@](C)(CCC=C(C)CC(=O)C=C(C)C)CC(=O)c1ccc(O)cc1O 2356519813 QGXFRTQQPXHULK-HSZRJFAPSA-N 370.489 5.515 30 1 FKEF COc1ccc([C@H]2CC(=O)C=C(c3cc4ccccc4s3)C2)cc1OC 36388299 WJTUHPRUPWJBBZ-MRXNPFEDSA-N 364.466 5.449 30 3 FKEF C[C@]12CC[C@H]3[C@@H](C[C@@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 3932548 KTOVARHSIHCDSW-PNZHQKCXSA-N 365.492 5.555 30 1 FKEF Cc1ccsc1C(=O)Nc1ccc(Cl)c(/C=N/OC(C)(C)C)c1 6523337 OWEDBLYZOCTDBM-VXLYETTFSA-N 350.871 5.111 30 1 FKEF C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCCC2)cc1O 28571867 OEQJXSVWDWNCHK-RBUKOAKNSA-N 351.490 5.839 30 1 FKEF N#Cc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063682 SAWYIPODGVUMNZ-UHFFFAOYSA-N 359.816 5.334 30 1 FKEF Cc1cc(Cl)cc2c(C#N)c(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 587627399 UVKPOBBDGXPMAP-UHFFFAOYSA-N 373.884 5.116 30 1 FKEF C[C@@H]1OC(=O)c2ccccc2[C@@]1(Cl)c1ccc(C#Cc2ccccc2)cc1 1857575935 RVOYQALCIFEEFN-XDHUDOTRSA-N 372.851 5.128 30 1 FKEF C=C[C@]1(C)CCC2=C(CC[C@@H]3[C@](C)(COC(=O)CC(=O)O)CCC[C@@]23C)C1 36417353 MABMDRZLCMPGFD-QQUTXWOLSA-N 374.521 5.284 30 1 FKEF biogenic CCCCCCCCCCN1CCC[C@]2(C1)O[C@@H](OC)Cc1ccccc12 49709701 RCGSRJRQRQQHKG-DNQXCXABSA-N 373.581 5.664 30 1 FKEF CCCSC1=C2CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]3[C@@]2(C)CCC1=O 253637766 KECSLKZJFNOOFU-JAXVJCQLSA-N 360.563 5.558 30 1 FKEF CCCCCCCC[Si](CC)(CC)CCCCCCC(=O)NCCO 473093461 UGMYLGGKTYUISK-UHFFFAOYSA-N 371.682 5.895 30 1 FKEF C=C(C)COc1ccccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587482678 PSUJSRZKBVJZBB-NRFANRHFSA-N 352.430 5.006 30 1 FKEF CC(C)[C@@H]1C[C@]2(CC[C@]3(C(C)C)C[C@@H]23)OC2=C1C(=O)C(C)(C)C(=O)C2(C)C 2356339598 QLGACJMERDLYGD-SRZLSCCLSA-N 372.549 5.332 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](OC(C)=O)C(C)=CC(=O)O 2356464360 HHYMHAFBPNXEIC-PSHVLCQKSA-N 362.510 5.138 30 1 FKEF N#C[C@@H](C(=N)Sc1ccccc1N)c1ccc(Oc2ccccc2)cc1 169718053 LXGBVMYGKYPYHH-GOSISDBHSA-N 359.454 5.438 30 1 FKEF N#Cc1ccc2c(c1)CCCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587507012 PXQKZYHUDHOPDD-XMMPIXPASA-N 357.453 5.024 30 1 FKEF C[C@H](C#N)C[C@@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507161 UQYMWQWOFQQOPC-WNSKOXEYSA-N 363.432 5.115 30 1 FKEF CCCCCCCN1C=CC(=CC=C2C=Nc3ccccc32)c2ccccc21 1857610069 SCCZDQFQNGQMEJ-UHFFFAOYSA-N 368.524 7.174 30 1 FKEF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC3=CCCC3)CC[C@H]12 2356483390 IUVKMZGDUIUOCP-ZYODCECPSA-N 352.518 5.747 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C(=O)C[C@@H]3C)C(CO)=CC[C@@H]12 2356793696 HLMAAMDTIQIBLV-HHCYXIRXSA-N 368.561 5.795 30 1 FKEF CCCCCCCCCCCC[C@@H]1Cc2cc3c(O)nc(O)nc3nc21 587562235 SPUMQJWKAOXZGK-OAHLLOKOSA-N 357.498 5.387 30 1 FKEF CCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587822075 ZOKRAWQEIOVUTM-UGSOOPFHSA-N 356.323 5.914 30 1 FKEF Cc1ccccc1-c1ccc(Cc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 587958641 DAUMXWKLFKFLCR-UHFFFAOYSA-N 357.844 5.654 30 1 FKEF O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(O)cc1 1857553628 WCRKVDUOLHLLNM-LHHJGKSTSA-N 364.828 5.521 30 1 FKEF Clc1ccc2nc(SCc3ccccc3C#Cc3ccccc3)[nH]c2c1 1857769245 HPUAJIHRUVGMBI-UHFFFAOYSA-N 374.896 5.908 30 1 FKEF CC(=O)C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356430128 HGUZQVROTZPVIT-OUWYMICPSA-N 370.577 5.708 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)[C@H](CC(C)=CC(=O)O)OC(C)=O 2356544906 IGGKHPWWCRUXBE-AOHGFKCNSA-N 362.510 5.138 30 1 FKEF CC(C)Cc1ccc([C@H](C)/C=C2/CC[C@@H](CN3CCCCC3)C2=O)cc1 17210416 ZKLVNVLQZNFKHL-SKNPWEOWSA-N 353.550 5.380 30 3 FKEF CCCCCCCCC/C=C/c1cc(=O)c2ccccc2n1CCCCC 71295874 HNJYKTWZIACQRV-GHRIWEEISA-N 367.577 7.346 30 1 FKEF CCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(OC)c(OC)c1 100885748 YCMYNWSNMYONMK-LJQANCHMSA-N 364.526 5.097 30 1 FKEF biogenic CCCCCC/N=C1\C(=O)N(C)c2cccc3c(O)c4ccccc4c1c23 103865196 UKPQERUTOCEPLV-FLFQWRMESA-N 360.457 5.044 30 1 FKEF C/C=C1/C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C 255199951 BJDBLZLWPJZWEU-ZGVKZGQMSA-N 367.577 5.443 30 1 FKEF C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C 255221238 JKVXXCFZUSFYRI-VRIHOGIYSA-N 369.593 5.475 30 1 FKEF CCCCCCCC[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587403168 KMBZDTHMVYZGRV-DEOSSOPVSA-N 365.517 6.189 30 1 FKEF CCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602357 JMDZKWNUFMDHSS-ICSRJNTNSA-N 354.446 5.473 30 1 FKEF CCCCc1ccc(-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1 587906746 QYOGXVXRVDRSHK-UHFFFAOYSA-N 374.911 6.758 30 1 FKEF C=CC(C)(C)c1nc2cc(OCCCCC)c(Br)cc2[nH]1 587954090 BSKCJWQCNAMNMT-UHFFFAOYSA-N 351.288 5.358 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C(=O)C[C@H]3C)C(CO)=CC[C@@H]12 2356793697 HLMAAMDTIQIBLV-VNFFBJSOSA-N 368.561 5.795 30 1 FKEF C[C@]12CC[C@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 3932547 KTOVARHSIHCDSW-MEXPHMDOSA-N 365.492 5.555 30 1 FKEF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cc(O)c(O)cc3[C@@H](C#N)[C@@H]12 5734556 UMZGPRHGCSRZHW-ZCQPYHSOSA-N 355.478 5.099 30 1 FKEF COc1cc2ncc(C#N)c(Nc3ccc(Cl)c(Cl)c3)c2cc1OC 13862210 OHWOGIKXDCWJAL-UHFFFAOYSA-N 374.227 5.174 30 1 FKEF C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@H](O)[C@H]4C(C)=CC[C@H]3[C@H]12 34081023 SASNKCWSBOFUJF-JXNQERJCSA-N 356.594 6.385 30 1 FKEF CCCCCCCCCCCCc1ccc(C(=O)NC2(C(=N)N)CC2)cc1 49793635 QIJHLTDUUWKGLT-UHFFFAOYSA-N 371.569 5.348 30 1 FKEF CCCCCC/C=C/c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1 84690233 LNQAPUWWXIJQSR-BQYQJAHWSA-N 363.457 6.403 30 1 FKEF C=C(C1CCCCC1)[C@H]1CC[C@](O)(C2CCCCC2)[C@H]2CC[C@](C)(O)[C@H]2C1 85549878 RGCHPGQIPMHSNM-NPJMLQJUSA-N 374.609 6.012 30 1 FKEF biogenic,in-vitro C=C(C)[C@@H]1CC=C(C)[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816997 HEHBXGNJAFJBKB-IQUTYRLHSA-N 364.302 5.250 30 1 FKEF COc1nc(-c2cc3ccccc3o2)cc(-c2ccc(Cl)cc2)c1C#N 653719933 WBGNNPFMLOSCFS-UHFFFAOYSA-N 360.800 5.695 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]4C=C(O)C=C[C@@H]43)s2)s1 2356360800 OHGVJNOZZQEQSA-XOKHGSTOSA-N 366.507 5.685 30 1 FKEF CCCCCCCCN1c2ccccc2C(=O)N(O)[C@@H]1c1ccccc1 2382222741 QBZZVDOUYICZBW-OAQYLSRUSA-N 352.478 5.397 30 1 FKEF C=CC[C@H](O)[C@H](C)C[C@H](C)CC[C@@H](O)C/C(=C\Cl)Cc1ccccc1 2382239812 HJBMZDQTTZVYRL-CWZXNQFKSA-N 364.957 5.482 30 1 FKEF N#C[C@@]12CC3=C(N=C1NC1=C(CCc4ccccc41)C2)c1ccccc1CC3 1645287 VYBVHILOYLOLAF-UHFFFAOYSA-N 363.464 5.007 30 1 FKEF O=C1CCCC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(O)CCCC1=N2 26654923 DDDNNZXZUNQSDF-QHCPKHFHSA-N 369.464 5.895 30 1 FKEF CCSc1c(C#N)c(-c2ccc(-c3ccccc3)cc2)c(C(=O)O)n1C 38147787 FYLQQKFPSZIEFS-UHFFFAOYSA-N 362.454 5.041 30 1 FKEF CCCCCCCCCCCCCCCC[C@]1(C)C[C@@](C)(O)CC(=O)O1 64527841 URHXXBPKNSVSQN-XZOQPEGZSA-N 368.602 6.705 30 1 FKEF biogenic COC(=O)CCC/C=C\C#CCCCCCCCC/C=C/Br 166218239 WWFLBNXLNKEDKU-PGTNTAPWSA-N 369.343 5.919 30 1 FKEF C#C[C@]1(O)CC[C@@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C 299872532 PWZUUYSISTUNDW-KJWQXZETSA-N 364.529 5.228 30 1 FKEF COc1ccc(C=Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587214354 YEORJZBDAJNWBT-UHFFFAOYSA-N 364.448 5.760 30 1 FKEF C=CCCCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812919 LZSCHFPDHDAMCY-ACJLOTCBSA-N 354.307 5.474 30 1 FKEF C=C(C)[C@H]1CC=C(C)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817002 HEHBXGNJAFJBKB-TYILLQQXSA-N 364.302 5.250 30 1 FKEF Cc1ccc(C(=O)/C=C/c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 587967111 LDYMCSJYVYEWKO-CMDGGOBGSA-N 369.262 5.147 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)c(OC)cc2ncoc12 1772573834 NSXJJSLVOUBQRV-OVOQHVDUSA-N 369.505 5.883 30 1 FKEF CCCCCCCC/C=C\CCCCC/C=C/C(=O)Nc1ccc(O)cc1 1857611252 BLACKRPMTNEGOG-WXYFSRDHSA-N 371.565 7.144 30 1 FKEF C=C1c2cccc(OC)c2O[C@H](C(=O)OCC)[C@@H]1C[C@@H](CC)CCCC 13813778 VVQUIZDVHZXAEA-CDXJDZJCSA-N 360.494 5.255 30 3 FKEF C=C(CCCCCC)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13779274 FCWUHOUJFHULHQ-WOJBJXKFSA-N 354.534 6.987 30 1 FKEF C=CC(C)(C)[C@@H](C(=O)c1ccccc1)C(=O)c1ccc2occc2c1OC 103552758 FECOWIAOIRMVIE-IBGZPJMESA-N 362.425 5.335 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCC(C)CCCCCCCCCCCC 138472537 CETJMHYMIRNRRJ-UHFFFAOYSA-N 366.718 10.245 30 1 FKEF CCCCCCCCCCCc1ccc(NC(=O)C2(/C(N)=N/O)CC2)cc1 142125529 NSZLUFRWHRPXHV-UHFFFAOYSA-N 373.541 5.225 30 1 FKEF Cc1cc(Cl)ccc1C#Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587067318 UBHPKQLQBRVIAA-UHFFFAOYSA-N 369.173 5.597 30 1 FKEF CCCCCCCCc1nc2cccc3c2c(c1CCCCCCC)CC3 587214712 WPKRFKSSHOAYIO-UHFFFAOYSA-N 365.605 7.749 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1 587907292 ILBBJQPSLLESLU-UHFFFAOYSA-N 365.860 5.340 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@]43C)C1=CC=C2c1cccnc1 1772647792 PQDDMVNNSXGMHS-XAHYKELJSA-N 371.524 5.917 30 1 FKEF CCC=CCCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](CCCCCCC)NC(=N1)N23 2356319627 RTIHUTXMEHQCPS-CLAROIROSA-N 359.602 5.807 30 1 FKEF CC1(C)C(=O)C(=Cc2ccccc2)C[C@@]2(C)[C@@H]1CC[C@@]13C=C[C@](C)(CC[C@@H]12)C3 2356744748 GTBFQOGSRWBGDY-VKCYZVJYSA-N 374.568 6.848 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC1=CC(=O)C=C(OCC)C1=O 2356799412 UKXDPPLUHNQGRE-AUKDSKBCSA-N 356.506 5.174 30 1 FKEF C=CCc1cc(C(=C(Cl)Cl)c2ccc(O)c(CC=C)c2)ccc1O 28707462 DWSCKTNCIQFODH-UHFFFAOYSA-N 361.268 5.749 30 1 FKEF CC(=O)c1sc(Nc2ccccc2)c(C#N)c1-c1c[nH]c2ccccc12 28714040 ZZJAAHNJDJXNPV-UHFFFAOYSA-N 357.438 5.714 30 1 FKEF CC(=O)C1=C(C)Nc2cc(Cl)ccc2S[C@@H]1c1ccccc1[N+](=O)[O-] 42989512 UCAKROOQNFWEPW-GOSISDBHSA-N 374.849 5.370 30 1 FKEF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)C1=C(C[C@H](C)CC1=O)N2 43019118 SAUARPVLHFQDKM-QKVFXAPYSA-N 370.855 5.619 30 1 FKEF Cc1cc2nc(-c3c(N)ncc(C#N)c3-c3ccc(Cl)cc3)[nH]c2cc1C 72179983 UKWSZFZBKUECHR-UHFFFAOYSA-N 373.847 5.016 30 1 FKEF CCCCCCC[C@](O)(c1cc(F)cc(F)c1)c1cccc(Cl)c1 84672349 BZVARAKISXPHMR-HXUWFJFHSA-N 352.852 6.215 30 1 FKEF CCCCCCCCn1cc(CN2CCCCCC2)c2c(F)cccc21 1772649961 IQKYPNZNWSEASF-UHFFFAOYSA-N 358.545 6.517 30 1 FKEF C=CCSc1nc2cc3ccccc3cc2c(=O)n1CCc1ccccc1 1857562353 FDBATWRASWQFOO-UHFFFAOYSA-N 372.493 5.071 30 1 FKEF CCCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC 1857743850 RZQMRTGRFDGBDE-UHFFFAOYSA-N 352.515 5.969 30 1 FKEF C=C1CC[C@H]([C@H](C)CCC=C(C)C(=O)O)[C@@H]2[C@@H]1CCC1=CCC[C@]3(C)[C@@H]1[C@@H]23 2356588157 KAAGZIORAICENU-SDFMWDAESA-N 368.561 6.399 30 1 FKEF CCCCCCCCCCCCC(=O)O[C@H]1CCC=CCOC(=O)CC1 2356779681 WHOHJKFQKCSVPQ-FQEVSTJZSA-N 366.542 5.883 30 1 FKEF O=C(O)CCCC#CC#C/C=C/CCCCCC/C=C/Br 34190137 CJVPQXWIBONARO-UUUWWEMDSA-N 351.284 5.054 30 1 FKEF C=CC[C@]1(CCC)C(=O)S[C@](C)(CCCCCCCCCC)C1=O 38154629 SPAGNSNRICBDQI-NHCUHLMSSA-N 352.584 6.481 30 1 FKEF CC(C)[C@@H]1C[C@@]2(CC[C@]3(C(C)C)C[C@H]23)OC2=C1C(=O)C(C)(C)C(=O)C2(C)C 84603614 QLGACJMERDLYGD-QBGYIRFESA-N 372.549 5.332 30 1 FKEF O=C1CS/C(=N/c2ccc(F)c(Cl)c2)N1c1ccc(F)c(Cl)c1 100410814 IBHNYCJKBAAMNL-HMMYKYKNSA-N 373.211 5.039 30 1 FKEF CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 103995804 OEPQXMHOAAXKKN-SRIJWZPRSA-N 373.880 5.492 30 1 FKEF CC#CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238734388 JXCAWBKVCGIFHC-NZNVYOLKSA-N 356.594 6.056 30 1 FKEF CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC/C(O)=N/[C@@H]1C[C@@H]1O 328577315 LZHCSJBKBARIFQ-NGNBDRMWSA-N 359.554 6.222 30 1 FKEF in-vitro CCCCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587822073 ZOKRAWQEIOVUTM-FZKQIMNGSA-N 356.323 5.914 30 1 FKEF Cc1ccc(C(=O)/C=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587964603 AAKHFSVNVNCYOG-BUHFOSPRSA-N 368.436 5.346 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H](C(C)C)[C@H](O)C[C@@]3(C)CC=C(C)CC[C@@H]12 2356380980 XFTVUNNLOZHXIM-QBYMRDTHSA-N 356.594 6.695 30 1 FKEF C=C(C)CCCC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O 2356673614 RJGNRYRHMQDCEG-UHFFFAOYSA-N 350.502 6.118 30 1 FKEF CCCCCCCCCCCCCCCC[C]1C=CN(C)C=C1C(=O)O 2356867181 WLIQLVYWCWMNCE-UHFFFAOYSA-N 362.578 6.860 30 1 FKEF CCCCCCCC/C=C1\C=C(C(F)(F)F)c2cc(OC)c(OC)cc21 2382234598 QXPZBSKLHCUGFX-RVDMUPIBSA-N 368.439 6.797 30 1 FKEF CCCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 38153024 WJHCVNOETGMLHQ-UHFFFAOYSA-N 368.524 7.645 30 1 FKEF O=C(O)CCCCCC#C/C=C/CCCCC#C/C=C/Br 38789017 PKRHWWLSHFMWNA-UUUWWEMDSA-N 351.284 5.054 30 1 FKEF CCCCCCCCCCCCCC(=O)[C@H]1OC(=O)c2c(OC)cccc21 101831772 LOROFEJSVCVGJM-QFIPXVFZSA-N 374.521 6.177 30 1 FKEF CCCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 103993753 SWYHMWWPLQPXGU-HWNIBJRTSA-N 367.489 5.537 30 1 FKEF CCCCCCCC/C=C\CCCCC[C@@H]1Cc2cccc(O)c2C(=O)O1 238749348 GCSUJEGOLAPNMD-VFCOFNOGSA-N 372.549 6.731 30 1 FKEF CCN(CC)CCCCN/C(=N\c1ccnc2cc(Cl)ccc12)C(C)C 299854696 AKRXSCHOQGFIAN-UHFFFAOYSA-N 374.960 5.286 30 1 FKEF CCc1ccc([C@@]2(C)c3ccccc3CCN2[C@H](C#N)c2ccccc2)o1 963190394 NMBQCDAZHKRBPS-ISKFKSNPSA-N 356.469 5.228 30 1 FKEF C=Cc1ccc([C@@]2(C)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1 963190999 GLRJZURJZPXCJF-FTJBHMTQSA-N 364.492 5.716 30 1 FKEF COc1ccc2nc(/C=N/c3cccnc3Nc3ccccc3)sc2c1 1772592850 VWQAWAAABXSQGW-LPYMAVHISA-N 360.442 5.194 30 1 FKEF C=CC[C@@H](O)[C@@H](C)CCCC(C)=CCC(=CCl)Cc1ccc(O)cc1 2356797677 OHHGQMCXEQGHPS-PGRDOPGGSA-N 362.941 6.137 30 1 FKEF C=CC[C@H](O)CC/C(C)=C/C=C/CC/C=C\[C@H]1CSC([C@@H]2C[C@@H]2C)=N1 29555497 IUPBZPSZHSRUHX-FXKAFNRFSA-N 359.579 5.712 30 1 FKEF CCCCCCCC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 44247414 AVJWLJWIHBRQEZ-BJKOFHAPSA-N 354.534 7.126 30 1 FKEF CC(C)=CCC[C@@]1(C=O)[C@H]2C/C=C(\C)CC/C=C(\C)CC[C@H]1[C@@]1(CC2)CO1 103241342 CFTIGVMTUOJNLU-YVJGQHQRSA-N 370.577 6.570 30 1 FKEF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C(C)(C)O 169343288 FTTPMMLZIQVGNY-RVTIKUOOSA-N 358.566 5.564 30 1 FKEF CN[C@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)C=CC(=O)[C@@]45C[C@@]35CC[C@]12C 255231195 MASDPPBVOXPTTR-REKNCFNESA-N 369.593 5.379 30 1 FKEF CC(C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257414355 FFRFYWBYDZTBDQ-PRDVXPBZSA-N 368.605 6.983 30 1 FKEF endogenous,in-man CCCCCCCCCCCCCCc1c(C)nc2cccc3c2c1CC3 587213510 JPXJCBRQWLCQEA-UHFFFAOYSA-N 365.605 7.885 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3cncc(Br)c3)c(C#N)c2c1 587639512 YLSUOXUKXCFAEW-LLVKDONJSA-N 354.251 5.378 30 1 FKEF C=C(C)[C@@H]1CC=C([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587823264 OUVWIFUZWVAAER-QUJCMNEKSA-N 364.302 5.466 30 1 FKEF C=CC(C)=CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]21C 2356524555 JMENQAVVDLRQNF-BEHZJIDTSA-N 374.521 5.002 30 1 FKEF C=C1C[C@H](CC)[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)C1 40723985 RQKFAFJIHIDHTD-UFONIEFXSA-N 351.534 5.053 30 1 FKEF C/C(=N/N=c1/[nH]c(-c2ccc(C)cc2)cs1)c1ccc2ccccc2c1 66112523 WABHGACBDVBIIG-JLPGSUDCSA-N 357.482 5.530 30 1 FKEF C/C=C1\C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C 96888389 YYXCNUVITXXGGX-JCQJZCMVSA-N 369.593 5.523 30 1 FKEF C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(c4cccnc4)=CC[C@@H]23)[C@@]2(C)C=C/C(=N\O)C=C12 141918755 IYNDVOFUCIFBNJ-IHCGVPMVSA-N 374.528 5.890 30 1 FKEF CCCCCCCCCCCCCC(=O)OC/C=C(/C)CCC=C(C)C 238772245 BVBISCLEXKZRHD-ATJXCDBQSA-N 364.614 7.923 30 1 FKEF CCC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CC)C1CCCCC1 1081815649 SVWJIYAMJCPNNJ-OAHLLOKOSA-N 362.430 5.287 30 1 FKEF biogenic C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC1=C(O)C(=O)C=C(OCC)C1=O 2356462956 KHYSBNREYPBDKG-WUTZQBGQSA-N 372.505 5.060 30 1 FKEF CC1=C2C[C@@]34CC[C@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@@]12C=C[C@H]4[N@]3C[C@@]31CCC2 2356772783 ILVMEIAAPCXAMU-VMRIXXSKSA-N 373.584 5.870 30 1 FKEF C=CCO[C@H](c1ccc(OC)c(OC)c1OC)c1cccc2ccccc12 2382246325 TYSUMNQELNOWSL-NRFANRHFSA-N 364.441 5.158 30 1 FKEF C=CC[C@@H]1Oc2c(C)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493648 ODRTXOKHNXCAGK-IBGZPJMESA-N 361.485 6.288 30 1 FKEF CCC(CC)N1C(=O)/C(=N/c2ccc(C(F)(F)F)cc2)c2ccccc21 36185052 ITQWEQLKESDYES-HKOYGPOVSA-N 360.379 5.361 30 1 FKEF C/C(=N\Nc1ccccc1)c1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 45300265 STJDWFZOLPWMOG-BUVRLJJBSA-N 370.408 5.002 30 1 FKEF Cc1cccc(Oc2ccc(/C(=N/O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)cn2)c1 72103292 CAOIEAMMVKURIU-SJLPKXTDSA-N 367.493 5.123 30 1 FKEF Cc1ccc(CSc2nc(O)c(C#N)c(C3CCCCC3)n2)c(C)c1 84757447 SPAGUFALSCAYAY-UHFFFAOYSA-N 353.491 5.011 30 1 FKEF C#C[C@@H](O)/C=C/CCCCCCCCCCCCCC/C=C/[C@H](O)C#C 96914859 KJWNXSBXDZJMLB-WSJOECBVSA-N 358.566 5.548 30 1 FKEF CCCC/N=C(S)\N=N/c1c(O)n(Cc2ccccc2)c2ccccc12 102769108 FZBZHBLLUMCJPL-FCQUAONHSA-N 366.490 5.565 30 1 FKEF Fc1c(F)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(F)c(F)c1S 587133926 FFYMHBKMDKPXLR-UHFFFAOYSA-N 366.261 5.094 30 1 FKEF C[C@H](C#N)c1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587187784 LDUKNMHAZCYOLP-MRXNPFEDSA-N 353.425 5.436 30 1 FKEF C[C@@H](C#N)c1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587187982 NBLUWZRUXFEPGK-HNNXBMFYSA-N 355.466 6.008 30 1 FKEF C=CCO[C@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587364969 HGJJSOLTTQBFOT-IBGZPJMESA-N 357.409 5.456 30 1 FKEF N#Cc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784074 KKVNJTGTODNZMZ-LCYFTJDESA-N 351.409 5.184 30 1 FKEF CC#CCCCCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587956974 OLAMYPZDDKECLA-UHFFFAOYSA-N 356.473 5.566 30 1 FKEF C=CC(C)=CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@@H]2[C@](C)(C(=O)OC)CCC[C@@]21C 2356524556 JMENQAVVDLRQNF-NBRHSQTJSA-N 374.521 5.002 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N[C@H](CC)C(=O)OC 2356795818 MMJNWDXFGZQTMI-LJQANCHMSA-N 355.563 5.536 30 1 FKEF N#CN=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 13985106 MCROGMDNSZNTKQ-UHFFFAOYSA-N 374.058 5.661 30 1 FKEF CCCCCCCCCCCCCCCCNc1ccc(C(=O)O)cn1 44181679 UHMLOIAPIVMVCN-UHFFFAOYSA-N 362.558 6.673 30 1 FKEF N#Cc1ccc(Oc2ccc(-c3cc4ccc(C#N)cc4[nH]3)cc2)c(Cl)c1 45364049 AXLZJAMYJPQUDK-UHFFFAOYSA-N 369.811 6.024 30 1 FKEF COc1ccc(Oc2nc(Nc3ccc(C#N)cc3)nc3ccccc23)cc1 53293599 OYZACXJMLIGOHP-UHFFFAOYSA-N 368.396 5.046 30 1 FKEF CC(C)(C)CC(NC(=O)Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 68574979 WCQRCAPVRABTLI-UHFFFAOYSA-N 374.300 5.247 30 1 FKEF biogenic CCCCCCCCCCCC(=O)Cc1cc(OC)cc(O)c1C(=O)O 85638784 UYXLUGOGJBJBDA-UHFFFAOYSA-N 364.482 5.132 30 1 FKEF biogenic CCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1 85832170 YLACRXRGEWUMJA-UHFFFAOYSA-N 362.598 7.815 30 1 FKEF biogenic COc1ccc(/C=C/C(=O)c2ccccc2-c2ccc(OC)c(OC)c2)cc1 203349747 WCCWPDBFILERQY-GXDHUFHOSA-N 374.436 5.276 30 1 FKEF N#Cc1cccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047345 GZGKYJCQBVPTQL-UHFFFAOYSA-N 364.235 6.075 30 1 FKEF CCCCCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587402445 XSWUMRRLKDPNQU-JOCHJYFZSA-N 367.489 5.633 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cnc(OCc2ccccc2)c(C)c1 587909008 HVNHJERCKZSMGJ-UHFFFAOYSA-N 363.844 5.031 30 1 FKEF CCCCC=CCC=CCC=CCCC1=C[C@](OC)(OC(C)=O)CC1=O 2356510922 RKFHNCDDZZBUNK-QFIPXVFZSA-N 360.494 5.211 30 1 FKEF Cc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)ccc2c1ccn2C 45335009 OLHUPCIDRDIHRN-CMDGGOBGSA-N 364.452 5.667 30 1 FKEF CCCCCCCCCCCC[C@@H](CCC)Oc1ccc(C(=O)O)cc1 169344842 AFCDMOHRMAECRT-OAQYLSRUSA-N 362.554 7.243 30 1 FKEF Clc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1Cl 586902045 TUISAABBMUEIAH-UHFFFAOYSA-N 353.208 5.530 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccccc1SC(F)(F)F 587914798 OFERPYVAMLELLN-UHFFFAOYSA-N 356.796 5.555 30 1 FKEF CCCCCCCCCCCCCC=CCCC=C(C)C(=O)NCCO 2356495456 SJZSLZDOZDKKND-UHFFFAOYSA-N 365.602 6.079 30 1 FKEF C=CCN1CCN([C@@H](c2ccccc2)c2ccc(-c3cccs3)cc2)CC1 28760610 LIQDRNWYHJPONU-DEOSSOPVSA-N 374.553 5.308 30 1 FKEF CCCCCC/C=C\CCC[C@H](CNC)CC1(CC(=O)O)CCCC1 85506142 WNUBUTOHRXXFPP-GWQNQTGSSA-N 351.575 5.944 30 1 FKEF biogenic,in-vitro N#Cc1c(-c2ccc(O)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626912 YVESDNLGDZAQDF-UHFFFAOYSA-N 370.252 5.450 30 1 FKEF Cc1cc(-c2[nH]c3cc(F)ccc3c2C#N)c(C)n1-c1ccc(Cl)cc1 587633677 JSAJOWQKDHAVOL-UHFFFAOYSA-N 363.823 5.907 30 1 FKEF CCCCC/C=C/CCCCCCCCCCCCCCCCCC 62234036 AEXGFEKDVWIAJU-ACCUITESSA-N 350.675 9.775 30 1 FKEF in-vitro Clc1ccccc1/C=N/Nc1nc2ccccc2nc1Cc1ccccc1 64540351 MEGPPXSFNJYMNH-BUVRLJJBSA-N 372.859 5.320 30 1 FKEF C=CCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84669789 QDANBTHXLIYNDI-XSLNCIIRSA-N 370.621 6.919 30 1 FKEF C=C(CC(=O)C=C(C)C)C(=O)CC/C(C)=C/CC/C(C)=C/COC(C)=O 95914222 YSAUIJBHWDSQNX-NVJLSHBWSA-N 360.494 5.053 30 1 FKEF biogenic,in-vitro COC(=O)CCCC#CC#CC=CCCCCCCC=CBr 2356333677 UHBHNXZLILDFLM-UHFFFAOYSA-N 365.311 5.142 30 1 FKEF CCCCCCCCCCCC[C@@H](O)Cc1cc(O)cc(OC(C)=O)c1 2356706059 QHWJHYOFDSCFLI-HXUWFJFHSA-N 364.526 5.532 30 1 FKEF C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@H](CC(C)=CCC[C@]3(C)OC(=O)CCC)[C@@H]12 5819645 LKOJWHNRHCEXFU-MBRXSVICSA-N 374.565 5.841 30 1 FKEF biogenic CC(=O)C1=C(C)Nc2ccccc2S[C@@H]1c1ccc(Cl)cc1Cl 43121213 RPUCTVBVBNQBEK-GOSISDBHSA-N 364.297 6.115 30 1 FKEF CCC[C@H](C)n1ccnc1/C=C/C(=O)/C=C/c1nccn1[C@H](C)CCC 473118671 LAHYVOROYJGZNA-DOKAVIGKSA-N 354.498 5.098 30 1 FKEF Fc1cc(C(F)(F)F)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 587106745 LJJFOUVAGVNYTJ-UHFFFAOYSA-N 362.248 5.330 30 1 FKEF COc1ccccc1Nc1ccccc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 587240191 AKNDHXRAXXMVJS-UHFFFAOYSA-N 374.831 5.507 30 1 FKEF CCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601245 RQQDZDKMTPOMBF-UGKGYDQZSA-N 354.446 5.473 30 1 FKEF CC[C@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CC=O)c2c1 587640400 AAKRSMRGFVEVNT-KBPBESRZSA-N 358.482 5.009 30 1 FKEF C=CCc1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784097 LAOMXMKTNJBRNP-VKAVYKQESA-N 366.464 6.041 30 1 FKEF CCCCCN(C/C=C/C#CC(C)(C)C)c1cccc2c1CCC(=O)N2 29233270 HVHDWERDWSQTBM-JXMROGBWSA-N 352.522 5.174 30 1 FKEF CCCCCCCc1c2c(c(C)c3c1Oc1ccccc1O3)C(=O)OC2 43552591 IWZNXKLTWJOMRR-UHFFFAOYSA-N 352.430 6.076 30 1 FKEF CCCCCCCCCCCCCCCCNc1ccc(C(=O)O)s1 43676538 BGFPGYWMHXMZHD-UHFFFAOYSA-N 367.599 7.340 30 1 FKEF C/C(COc1ccccc1)=N\Nc1nc(-c2ccc3ccccc3c2)cs1 95572810 JJWWVDUOKYOKKB-LFVJCYFKSA-N 373.481 5.830 30 1 FKEF CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OCC 200630119 HERLDKJUMKGLEM-YPKPFQOOSA-N 366.630 8.147 30 1 FKEF in-vitro CCCCCCCCCCCCCCCC=CC=CC(=O)N1CCCC1 2356616079 RIDFJCCEYZWOSP-UHFFFAOYSA-N 361.614 7.203 30 1 FKEF Brc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1 33377348 YXJBGPKCNKZENH-VCHYOVAHSA-N 358.264 5.019 30 1 FKEF CC(C)c1ccc(Sc2cc(C#N)c(=O)n(Cc3ccccc3)c2)cc1 95593870 FTPTVKAUOBTHMI-UHFFFAOYSA-N 360.482 5.043 30 1 FKEF CCCCCCCCCCCC[N+](C)(C)Cc1ccc(OC)c(OC)c1 169337900 SBYAZPUCHXRKET-UHFFFAOYSA-N 364.594 6.201 30 1 FKEF COC(=O)CCCCCC#C/C=C/CCCCC#C/C=C/Br 205464661 BIFMCMMCEXHRNM-GSQCLYJKSA-N 365.311 5.142 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)Cc2ccccc2)cc1 587905351 RLXQOHOTSLHJBQ-UHFFFAOYSA-N 360.840 5.174 30 1 FKEF O=C(C1=C(O)/C(=C/c2ccc(Cl)c(Cl)c2)CCC1)c1ccccc1 653869558 SKCHXEYUMZCYPR-RVDMUPIBSA-N 359.252 6.256 30 1 FKEF CCc1ccccc1-c1ccc(-c2nc3ccncc3c(O)c2C#N)cc1 73315646 VWCWZRYTBYQNGZ-UHFFFAOYSA-N 351.409 5.103 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccccc1F)N[C@@H]2c1ccccc1F 169324500 DPBGDUIBZNSYMQ-SNOAHYEVSA-N 370.443 5.159 30 1 FKEF C#Cc1cccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 586879621 LKEXCXXCRVHVKF-UHFFFAOYSA-N 369.262 5.009 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccn(C(C)C)n2)cc1 587906440 FVEHWZDNTGTBHP-UHFFFAOYSA-N 350.849 5.193 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2ccc(Br)cc2c1 587907120 FBSVFFWPJBWCNR-UHFFFAOYSA-N 371.661 5.664 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)CN(Cc1ccccc1)C2 587908139 USQQVFISKWXHJM-UHFFFAOYSA-N 373.883 5.264 30 1 FKEF N#CCCCC[C@@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963103806 ODBFYAKGOQWVID-FYYLOGMGSA-N 366.455 5.313 30 1 FKEF C[C@]12CC[C@H]3[C@@H](C(Cc4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 1857560208 VVDWEHROXAUWQZ-FMZUAJDUSA-N 374.524 5.476 30 1 FKEF C=C[C@]1(C)CCC2=C(CC[C@@H]3[C@@](C)(OC(=O)CC(=O)OC)CCC[C@]23C)C1 2356332913 LMMOFSFYOMSBHS-MKWLTTDUSA-N 374.521 5.124 30 1 FKEF C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C)OC(=C)C 2356688153 QFEPEWCZGTYFET-ZDRNMDQLSA-N 360.538 6.125 30 1 FKEF C=CC[C@@H]1Oc2ccc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493655 CYBZSWXWFMWSAP-INIZCTEOSA-N 367.876 6.330 30 1 FKEF Cc1ccc(Oc2nc(Nc3ccc(C#N)cc3)nc3ccccc23)cc1 53242995 LGRGTWQBCFLDQU-UHFFFAOYSA-N 352.397 5.346 30 1 FKEF C=CCc1cc(/C=C/C(=O)/C=C/c2ccc3ccccc3c2)ccc1OC 103267815 YSWFHNAOWDVIGQ-WFYKWJGLSA-N 354.449 5.873 30 1 FKEF C=CCn1c(O)c(N=NC(=S)Nc2ccc(OC)cc2)c2ccccc21 254003077 PXEBMCUAKGLGMG-UHFFFAOYSA-N 366.446 5.022 30 1 FKEF aggregator COc1cccc(-c2c(CC#CC3CC3)cnc3c2oc2ccccc23)c1 587365420 KROPLXRSBJHTKN-UHFFFAOYSA-N 353.421 5.613 30 1 FKEF C=C(C)[C@@H]1CC=C(C)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819948 XKICRSWZRAFPJK-ZXYWRSMDSA-N 364.302 5.250 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(F)c1Cl 587916133 CVQFABIVOWLZQU-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2ccc(C)cc2)s1 587920910 ORLMBKKMPFZTMQ-UHFFFAOYSA-N 366.869 5.349 30 1 FKEF CCCCCCCCCCCCCN1CCC(C2CCN(C)CC2)CC1 42965863 MQVVOWJTZHSOLU-UHFFFAOYSA-N 364.662 6.351 30 1 FKEF C[C@H]1/C(=N\OCc2ccccc2)C[C@H](c2ccccc2)O[C@@H]1c1ccccc1 169299418 DAMINAFEYWJFDP-WDXZEGSASA-N 371.480 6.098 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(COC(C)=O)cc1 169336614 LCURUDHULQRIOG-UHFFFAOYSA-N 362.554 6.830 30 1 FKEF CCC(=O)[C@@H](C)C(=O)/C(C)=C/C(C)=C/[C@@H](C)/C=C(\C)C(=O)/C(C)=C/C(C)C 238747555 JKSSPGWIWKMCSU-YWLDCGKXSA-N 372.549 5.817 30 1 FKEF N#CCc1c(-c2ccco2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626554 UGOBYTUXOWLPMF-UHFFFAOYSA-N 358.241 5.532 30 1 FKEF C=C(C)[C@@H]1CC=C(C)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819939 XKICRSWZRAFPJK-MUKKUYKPSA-N 364.302 5.250 30 1 FKEF CCCCCCCCCC(C)=CC(=O)NCCc1ccc(OC)c(O)c1 2356608740 GZMUFYAQFVCMFA-UHFFFAOYSA-N 361.526 5.147 30 1 FKEF C[C@H]1CC/C(=C\c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 73258175 OMLHTHDNMOEJMF-LBEJNXNPSA-N 357.280 6.459 30 1 FKEF CCCCCCCCCC(=O)N[C@H](C(=O)c1ccc(C#N)cc1)C(C)C 84705021 JEZYRPUMEHJVEN-NRFANRHFSA-N 356.510 5.022 30 1 FKEF C=CCC(CC=C)(CC=C)c1ccc(CCCCCCCCC)cc1O 103237831 KQGCECAJFLDXBC-UHFFFAOYSA-N 354.578 7.651 30 1 FKEF biogenic C/C=C/CCCCCCCCCCCCCCCCCCCCCC 137329739 FBNVVWQGXNHZAR-HWKANZROSA-N 350.675 9.775 30 1 FKEF C=CCOc1ccc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401945 ZXOQJGXUCPYUJY-OAQYLSRUSA-N 359.425 5.002 30 1 FKEF CCCCCCCCCCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525857 SGAFESUUFRMETQ-VWLOTQADSA-N 370.577 7.210 30 1 FKEF C=CCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599539 GOHPPWXOXAFCAB-DENIHFKCSA-N 352.430 5.249 30 1 FKEF CC[C@@H](C)CCCCCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356819523 FCOCMZBRGLRFTM-QZTJIDSGSA-N 365.558 5.565 30 1 FKEF CCCCCCN(CCCCCC)C(=S)N/N=C(\C)c1ccccn1 5824153 DQXBTMPMUFTBIN-RELWKKBWSA-N 362.587 5.143 30 1 FKEF CCCCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13557633 APZRMZNKLVPYEJ-WOJBJXKFSA-N 352.518 6.129 30 1 FKEF C[C@@H]1CCCC/C1=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 101220353 KRIKEQPXWUJINC-JULGBPTESA-N 354.306 6.095 30 1 FKEF CCC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccc(Cl)cc1 473247744 GUFDTQQVJZARFG-LJQANCHMSA-N 368.889 5.616 30 1 FKEF FC(F)(F)Sc1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 587089324 AJFMQTLZLIYHKQ-MRVPVSSYSA-N 352.662 5.098 30 1 FKEF N#Cc1c(-c2ccc(N3CCCCC3)cc2)[nH]c2cc(Cl)c(F)cc12 587631672 GTRGNBKNHMIXKB-UHFFFAOYSA-N 353.828 5.489 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(Cl)n2)cc1 587920916 OWEXJZOPHNPCCE-UHFFFAOYSA-N 360.265 5.525 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc12 587929139 RPBZMEPOEWLCSF-UHFFFAOYSA-N 370.452 5.643 30 1 FKEF CCCCCCCCn1cc(CN2CCCCC2)c2c(OC)cccc21 1772604057 CAUTXPFPJJLHQF-UHFFFAOYSA-N 356.554 5.996 30 1 FKEF CC(C)n1ccnc1/C=C/C=C/C(=O)/C=C/c1nc2ccccc2n1C(C)C 1772604453 ZXWRDXZZSSOPJA-CNUHXMMFSA-N 374.488 5.247 30 1 FKEF CCCCCCC=CCCC[C@H](CNC)CC1(CC(=O)O)CCCC1 2356764622 WNUBUTOHRXXFPP-FQEVSTJZSA-N 351.575 5.944 30 1 FKEF C=C1CC/C=C(\C)CC[C@H](/C(=C\CC=C(C)C)COC(C)=O)[C@H]1C(=O)OC 28965619 ISIHCFKJFHDLCQ-JPKHOPEVSA-N 374.521 5.314 30 1 FKEF CCCCCCCCCCC/C=C/c1cc(=O)c2ccccc2n1CC 71281006 JYXWRMZBKDQIIG-SAPNQHFASA-N 353.550 6.956 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(-c2cccc(C(=O)O)c2)c1 587904411 LDLJYKKHVREINF-UHFFFAOYSA-N 362.812 5.114 30 1 FKEF N#CCn1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c2ccccc21 962667866 MIRVQOIRXOEFCN-VWLOTQADSA-N 363.464 5.067 30 1 FKEF [N-]=[N+]=Nc1cc(-c2cccc(I)c2)c2ncccc2c1 13814067 FZNQYXTXKRWFRF-UHFFFAOYSA-N 372.169 5.448 30 1 FKEF in-vivo C=CCO[C@H](CC)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 14968730 JJBGOTRJBHAAQW-JOCHJYFZSA-N 363.501 5.931 30 1 FKEF CC(C)=CCC/C(C)=C/C[C@@]1(C)C(=O)C(C)=C(O)C2=C1O[C@H](C)CC2=O 15120583 OEDQLGJPWHJKOM-YOKOKYJGSA-N 358.478 5.122 30 1 FKEF biogenic,in-vitro CCOc1ccc(NC[C@H]2CC/C(=C\c3ccc(Cl)cc3)C2=O)cc1 17198847 QIHDKRFDEVJKDM-HJUDDPQBSA-N 355.865 5.213 30 1 FKEF Cc1ccc(Sc2ccc3c4c(C#N)c(=O)nc-4c4cccc2c43)cc1 66077641 LBKGRTQSOMJWJJ-UHFFFAOYSA-N 352.418 5.060 30 1 FKEF Cc1cc(F)ccc1NC(=O)C(CC(C)(C)C)(C(F)(F)F)C(F)(F)F 68574837 RCYFIWXTZCMZFJ-UHFFFAOYSA-N 373.312 5.620 30 1 FKEF biogenic CCCCCCCCn1c2ccccc2c2ccc(OCC(N)=O)cc21 72105935 MPFREEBCRZHCJR-UHFFFAOYSA-N 352.478 5.019 30 1 FKEF CCCCCCCCCC[C@@H]1CC[P@](=O)(OC)OC(C)=C1C(=O)OC 95578732 NHTZROPHLCBBHP-NSYGIPOTSA-N 374.458 5.840 30 1 FKEF COc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2Cl)CC(C)C)cc1 299859847 IKWUSMGZZYHPAY-LFIBNONCSA-N 363.284 6.314 30 1 FKEF CCCCCCCCCCN1C=CC(=C/C=C2/C=Nc3ccccc32)C=C1 367722007 MWFDWMVXDLDNQN-HAHDFKILSA-N 360.545 7.196 30 1 FKEF Cc1cc(Cl)ccc1OCCCC(=O)c1coc2cc(C#N)ccc12 587277748 FREPVGQNENNWQO-UHFFFAOYSA-N 353.805 5.308 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)C)ccc1OC(C)C 587901309 ZAICOPHWIWWHPU-UHFFFAOYSA-N 356.893 5.833 30 1 FKEF C/C(=N\Nc1nnc(Cl)c2ccccc12)c1cc(Cl)ccc1Cl 1772618622 PFEAQPUWMXWADD-AWQFTUOYSA-N 365.651 5.426 30 1 FKEF Fc1ccc(/C=C/C(=N/Nc2nncc3ccccc23)c2ccccc2)cc1 1772627210 RZJRJEDTYIELCA-AGFWYPDZSA-N 368.415 5.299 30 1 FKEF C=C1C=C2[C@]3(CCC[C@@H]3CO)CC[C@H](C3CCCCC3)[C@]2(C)[C@H]2[C@H]1C2(C)C 2356350546 FAESPSHBAAQWRG-NRYDIXHLSA-N 368.605 6.530 30 1 FKEF CCC(=O)[C@H](C)C(=O)C(C)=CC(C)=C[C@@H](C)C=C(C)C(=O)C(C)=CC(C)C 2356431261 JKSSPGWIWKMCSU-IERDGZPVSA-N 372.549 5.817 30 1 FKEF O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccc(-c4ccccc4)cc1)(C3)C2)NO 95588515 UYRAOYCLFKFZJH-ISVJADKWSA-N 361.485 5.087 30 1 FKEF CC(C)(C)[C@@H](CCc1ccc(/C=C/c2ccccc2)cc1)OS(C)(=O)=O 299830823 PMPTWNKLAJIRNJ-RQWLHQTBSA-N 372.530 5.181 30 1 FKEF N#Cc1nc(Cl)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587051093 RUSBYYUMGSFZPS-YUMQZZPRSA-N 363.635 5.061 30 1 FKEF Cc1ccc(COc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 1772655295 RJWKLRFVYMBORK-OVCLIPMQSA-N 362.856 6.124 30 1 FKEF CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2ccc(F)nc2)ccc1C 1857576394 YNWHDBCRHUSASL-UHFFFAOYSA-N 365.839 5.879 30 1 FKEF C=CC[C@H](CCC(C)=CC=CCCC=C[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC 2356504962 LUEYTMPPCOCKBX-DXBBTUNJSA-N 373.606 6.367 30 1 FKEF C=C(C(=O)O)[C@@H](CCCCCCC=CCCCCCCCC)C(=O)O 2356572450 BQGIGMHUCMNPDK-LJQANCHMSA-N 352.515 5.975 30 1 FKEF CCCCC/N=C(\Nc1nccs1)Nc1cc(C)nc2ccccc12 26155434 IVDXWJGDTICSNQ-UHFFFAOYSA-N 353.495 5.070 30 1 FKEF O/N=C1\CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 40767081 KUGSWYUYGMFUIN-PTBHZFRASA-N 374.528 5.423 30 1 FKEF CCCCCCCCCCCCCCN[C@H]1CCc2ccc(O)cc2C1 42920264 SIXLGMXPHCEFSA-QHCPKHFHSA-N 359.598 6.540 30 1 FKEF CCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C(=O)O 85642726 QYNTVLCDAYKUMH-GOTSBHOMSA-N 368.646 8.385 30 1 FKEF biogenic N#Cc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587040429 LIWFAZMTOXFYRY-UHFFFAOYSA-N 368.465 5.280 30 1 FKEF C(=NOCc1ccccc1)c1nc2cc(Sc3ccccc3)ccc2[nH]1 587190282 HAGBTYMPQIPLAV-UHFFFAOYSA-N 359.454 5.265 30 1 FKEF C=CC[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822502 KZIKEYVXGPGDDS-WPKBUWHJSA-N 352.291 5.084 30 1 FKEF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587952172 MFVLTBJTZUGOBT-ZUCKAHLUSA-N 365.399 5.500 30 1 FKEF Cc1cccc2c1nc(-c1ccc(C#N)cc1)n2Cc1c(F)cccc1F 5931355 GLIQDQRWOJTVRZ-UHFFFAOYSA-N 359.379 5.210 30 1 FKEF CC(=O)OC1=C(C)[C@H](/C=C/c2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2C1=O 40879105 ZZMOWNDJRNFDCJ-IIIKCKGOSA-N 356.462 5.161 30 1 FKEF CCCCCCCCCCCCC(=O)ON1C(=O)COc2ccccc21 60021714 LSLFWVHUYPATBH-UHFFFAOYSA-N 361.482 5.181 30 1 FKEF CCCCCCCCCCC/C=C(C)/C=C/C(O)=C1\C(=O)CN(C)C1=O 100757485 SJJOFKAXADOAJE-KKXNRHQQSA-N 361.526 5.263 30 1 FKEF COc1ccc(/C=C/c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cc1 103297763 DSQWASVPSMWPEA-CUQLSPFUSA-N 374.867 6.415 30 1 FKEF CCCCCC/C=C\CCCCCCCc1cc(O)cc(OC(C)=O)c1 238739174 QRHBFUGRLXRYQV-HJWRWDBZSA-N 360.538 6.727 30 1 FKEF N#CCCC[C@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963105446 QMJBSOJSMJSWRX-UNMCSNQZSA-N 368.883 5.437 30 1 FKEF C=C(C)[C@@H](O)CC/C(C)=C/Cc1c(O)cc(O)cc1CCc1ccccc1 1857558102 HEBIZKNLFJTMFB-MPDXVOLHSA-N 366.501 5.089 30 1 FKEF CCCCCCCCCCCCCC(=O)c1cc(=O)c(O)c(O)cc1C 1857604801 QCTDZQQQAXYWAC-UHFFFAOYSA-N 362.510 5.650 30 1 FKEF C=C1CCC=C(C)CC[C@@H](C(=CCC=C(C)C)COC(C)=O)[C@H]1C(=O)OC 2356677141 ISIHCFKJFHDLCQ-VXKWHMMOSA-N 374.521 5.314 30 1 FKEF COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1 26578877 NAXZRUMPHRMRDF-UHFFFAOYSA-N 362.560 5.132 30 1 FKEF CCCCCCCC(=O)Nc1ccc(OC(=O)/C=C/c2ccccc2)cc1 43620394 ONBLUHQDBJEAGN-QGOAFFKASA-N 365.473 5.604 30 1 FKEF CCCCCC/C=C\CCCCOC(=O)CCC/C=C\CCCCCC 169622364 QDYCXCCNDHIUHQ-VMNXYWKNSA-N 364.614 7.923 30 1 FKEF C=C1CC[C@]2(C)[C@@H]([C@@H](C)CCC=C(C)C)CC[C@@]23CC=C(C(=O)O)CC[C@H]13 238780691 JTMVWFPVJNHYAJ-AEDTYCFMSA-N 370.577 6.933 30 1 FKEF N#Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cc1 587628854 SCMLOMTVCCMQGO-UHFFFAOYSA-N 366.701 5.244 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587964829 CTANMGFOWNNLRV-PFONDFGASA-N 362.432 6.074 30 1 FKEF CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccccc2C)/C1=C(\O)OC(C)C 103540300 RBKYANFSRCIYCF-XXBRTLJISA-N 367.489 5.391 30 1 FKEF C/C(=N\c1cccc2ccccc12)C1=C(O)C[C@@H](c2ccccc2)CC1=O 104700172 DVNRKHIEEDWECN-DUYBAWCLSA-N 355.437 5.891 30 1 FKEF C[C@H](C#N)c1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587187988 NBLUWZRUXFEPGK-OAHLLOKOSA-N 355.466 6.008 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(Oc2ccc(N)cc2F)c1 587916960 ZWTDYXIBMVPDAR-UHFFFAOYSA-N 367.807 5.262 30 1 FKEF C=CCc1cccc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c12 587930397 BERZEOYSSJBJQC-UHFFFAOYSA-N 356.425 5.340 30 1 FKEF CCCCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C 2356433512 LMZPUHBJSQVRHE-UHFFFAOYSA-N 363.630 7.352 30 1 FKEF CCCCCCCCCn1c2ccccc2c2c(OC[C@@H]3CO3)cccc21 2382242376 YUVRLQHEEOODNR-IBGZPJMESA-N 365.517 6.323 30 1 FKEF COc1cccc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc12 26673364 CKEHNTQJROCGHV-UHFFFAOYSA-N 367.408 5.651 30 1 FKEF CCCCCCCCCCCCCC[C@H](CO)NC(=O)CCCCCC 43422794 OIIQQEIZEKSADZ-JOCHJYFZSA-N 369.634 6.525 30 1 FKEF CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 73196076 SVSDEDUBFFMJKW-QHCPKHFHSA-N 370.448 5.514 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc3ccccc3n2)c2c1C=CC(C)(C)O2 84711446 HZZFTJIMQODQCN-ZRDIBKRKSA-N 371.436 5.324 30 1 FKEF CCCCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587099852 VUDLCHGEWQEYHT-UHFFFAOYSA-N 371.524 7.048 30 1 FKEF CCOC(=O)[C@@H](F)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587626349 SWGGLZRRFOPJTD-NSHDSACASA-N 371.252 5.088 30 1 FKEF CCCCCCC[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812167 IOYDTXFTSIEUNY-LIRRHRJNSA-N 370.350 6.088 30 1 FKEF COC1=C[C@H](O)[C@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H](C)C1=O 1857747892 NLYIKAPLHGYMBC-NGUXECTASA-N 360.538 5.522 30 1 FKEF CCCCCCCCCCC=CCCCCCCCCCC(=O)OC 2356421668 QIZZORAOGOPHQF-UHFFFAOYSA-N 352.603 7.757 30 1 FKEF CCCCCCCCC=CCCNC=C1N=C(c2ccc[nH]2)C=C1OC 2356500966 IUSWBEITQAMHQU-UHFFFAOYSA-N 355.526 5.476 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C(C(=O)O)[C@H](C)[C@H]3CC[C@]12C 2356501397 YGVKQUJGWNEGIG-VBIWEBHCSA-N 370.577 6.789 30 1 FKEF N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(Br)c2c1 32063590 MWMIFUSNERWPBU-UHFFFAOYSA-N 373.253 5.907 30 1 FKEF N#CCCN(Cc1coc(-c2cccc3ccccc23)n1)C1CCCCC1 72183793 CDTTWBARSPDIRY-UHFFFAOYSA-N 359.473 5.543 30 1 FKEF CC(C)Sc1sc(C(=O)O)c(Oc2ccc(Cl)cc2)c1C#N 169329777 QHYLSDKTPRXXTJ-UHFFFAOYSA-N 353.852 5.264 30 1 FKEF CCCCCCCCCCCCc1ccc(OCc2ccccc2)cc1 169342414 WQHGXWCYVMOXDT-UHFFFAOYSA-N 352.562 7.729 30 1 FKEF C[C@@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 169363491 YNCUBWWVYADNTK-ASABFQTLSA-N 370.496 5.671 30 1 FKEF CCC[C@@H](C)O/N=C(/C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 1857652196 JVMFOJRWOSFHAK-RWHLKPTASA-N 371.521 5.932 30 1 FKEF Clc1ccc(/C=N/N(Cc2ccccc2)Cc2ccccc2)cc1Cl 13528575 WYIKNXFZEOYPJD-ZVHZXABRSA-N 369.295 6.030 30 1 FKEF CC/C=C/CCCCCCCCCCCCC[C@@]1(O)CC(=O)C=C[C@@H]1O 15270215 TYJQNNWWKJMQRK-KVLCTLBFSA-N 364.570 5.645 30 1 FKEF N#Cc1ccc(C(F)(F)F)cc1/N=N\Nc1cccc(C(F)(F)F)c1 27897500 BEVRRJXWHUBIQJ-UHFFFAOYSA-N 358.245 5.707 30 1 FKEF CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1ccccc1C)N[C@@H]2c1ccccc1C 169320363 HVSOWXGRFNTGEQ-IKAJFEDTSA-N 362.517 5.498 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2cccc(F)c2)cc1 587916563 MUHLFENLBPHWST-UHFFFAOYSA-N 364.803 5.119 30 1 FKEF C(=N/OCc1ccccc1)\c1c(-c2ccc3ccccc3c2)nc2occn12 1857594838 SVQBGUVLKWLPPT-BUVRLJJBSA-N 367.408 5.298 30 1 FKEF CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)C=Cc3ccccc3)c2O)O1 2356680889 XKBWBVSFQXIHLM-VWLOTQADSA-N 374.480 6.199 30 1 FKEF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C(C)=O)=C(C)C[C@H]32)C1 2356708434 PRWWYYCTGGYLJU-PURWHKETSA-N 372.549 5.476 30 1 FKEF C[C@H](C=O)CCCCC[C@H](CCCCC=CC(=O)O)Cc1ccc(O)cc1 2356778753 DEJPFGMDFBDYBL-PMACEKPBSA-N 374.521 5.538 30 1 FKEF CCCCC[C@@H](/C=C/C#CCCCCCCCCCC(=O)O)OC(C)=O 26578476 KRQKWWGUAXMEBT-RHYRFBSLSA-N 364.526 5.654 30 1 FKEF Nc1cccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 103200637 PYGQTXICXILSDG-VMPITWQZSA-N 358.224 5.732 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC[C@H](C)CC 138547248 PIDMIARWXIPIMD-RUZDIDTESA-N 352.691 9.854 30 1 FKEF COC(=O)CCCCCC#C/C=C/CCCCCC/C=C/Br 238787290 GBJNPTCLVKKQCK-GSQCLYJKSA-N 369.343 5.919 30 1 FKEF C=C1C[C@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C 2356374104 NRYDVRYMFVCPIJ-JTSGVHQASA-N 358.566 5.495 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@H]([C@H](C)CCC=C(C)C(=O)O)[C@H]3[C@H]1C2 2356670828 DSRGCYPGONKDIL-ZOWXDCFTSA-N 368.561 6.853 30 1 FKEF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C#N)CCCCC3)cc1OC2(C)C 36294586 UWAOGXSDWOGLKG-QZTJIDSGSA-N 351.490 5.729 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)CCCC3(O)CCCCC3)s2)s1 85592372 SUJBURUWJSCIOI-UHFFFAOYSA-N 372.555 5.896 30 1 FKEF biogenic,in-vitro C#C[C@H](O)/C=C/CCCCCCCCCCCCCC/C=C/[C@@H](O)C#C 96914858 KJWNXSBXDZJMLB-AVSTUUCTSA-N 358.566 5.548 30 1 FKEF Cc1ccc(NC(=S)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1 96922610 GPATZVSOPDDLLF-PXLXIMEGSA-N 361.470 5.108 30 1 FKEF C[C@@H]1CC[C@H](C(C)(C)S)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587531280 HIUHGVJHEXWFEL-JSVDNDDVSA-N 358.547 5.414 30 1 FKEF CCCOc1c(F)cc(C#Cc2cc(Cl)ccc2OC)cc1Cl 587915397 POCCGPMGMRYTSQ-UHFFFAOYSA-N 353.220 5.330 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](C)[C@]2(C)[C@@H]2[C@H]1C2(C)C)CCC1(CCCC1)[C@H]3CO 2356657719 QWZTZQHELWPSSF-ZQELFLKJSA-N 354.578 6.140 30 1 FKEF CCCCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 27747826 APZRMZNKLVPYEJ-PMACEKPBSA-N 352.518 6.129 30 1 FKEF O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)c1ccc3ccccc3c1N2 40394960 OZVSEQPYEHDFQE-NRFANRHFSA-N 370.408 5.313 30 1 FKEF CCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602531 YNYXIUMIUNAAPQ-NFBKMPQASA-N 368.473 5.863 30 1 FKEF Cc1nc2ccccc2c(-c2ccccc2C#N)c1[C@H](OC(C)(C)C)C(=O)O 1857652463 OLEVQQUISPDROB-NRFANRHFSA-N 374.440 5.023 30 1 FKEF CC(C)=CCCC(C)=CC[C@@]1(C)C(=O)C(C)=C(O)C2=C1O[C@H](C)CC2=O 2356451691 OEDQLGJPWHJKOM-QRQCRPRQSA-N 358.478 5.122 30 1 FKEF CCCCCCC=CCCC[C@@H](CNC)CC1(CC(=O)O)CCCC1 2356764623 WNUBUTOHRXXFPP-HXUWFJFHSA-N 351.575 5.944 30 1 FKEF CC(C)[C@@H]1C=C(c2ccccc2)c2ccccc2[C@H]1C(C#N)(C#N)C(C)C 5891831 WQTAIWKVOYFEAW-LADGPHEKSA-N 354.497 6.177 30 1 FKEF CCCCCCCCCCCCCCCCOCC[N+](C)(C)CCO 38143133 OLJCTSXIXRYDJG-UHFFFAOYSA-N 358.631 5.553 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)c2c1C=CC(C)(C)O2 84653994 ZVTRFDDMWRARPP-FMIVXFBMSA-N 370.448 5.929 30 1 FKEF O=C(/C=C/c1ccc(/C=C2/SC(=S)N=C2O)cc1)c1ccc(F)cc1 84741763 RTMBWYVANZCDNN-CYBPPMFUSA-N 369.442 5.051 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](CCC)C1CCCCC1 100306557 IBXHOJGRWDXKSM-VWLOTQADSA-N 364.702 9.854 30 1 FKEF biogenic C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]3c2cccnc2)[C@@]2(C)C=CC(=O)C=C12 141098529 AGZOZNZGJNVQON-ATCMPCMVSA-N 361.529 5.719 30 1 FKEF C=C(C)[C@@H]1CC/C(C)=C/CC/C(C(=O)O)=C/CC/C(C)=C/[C@H]1OC(C)=O 238746488 UEZWBWGIEOHSAA-GHSGDHRQSA-N 360.494 5.368 30 1 FKEF C=CCc1cccc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c12 587130000 IUUHIOSFHHXZQU-BENRWUELSA-N 370.399 5.462 30 1 FKEF C=C[C@]12CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OCC)[C@@H]1CC[C@](C)(C=N)C2 40859965 NKVUGEIRZOHJJA-DPVJEZKXSA-N 359.554 5.784 30 1 FKEF CCCCCCC[C@@H](C[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)SC 587448945 NSXJREQDONZULU-BZSNNMDCSA-N 362.535 5.293 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(Br)c(Cl)c1 587899072 YVIFXJHUKCQYIF-UHFFFAOYSA-N 370.073 5.359 30 1 FKEF CC(C)=CCCC(C)=CC[C@@]1(C)C(=O)C(C)=C2O[C@@H](C)CC(O)=C2C1=O 2356661093 RWVTZZISTKBQMV-NYHFZMIOSA-N 358.478 5.122 30 1 FKEF CCCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 42784695 RZVLEANFMRWRMX-QPPBQGQZSA-N 357.606 5.834 30 1 FKEF Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(C#N)cc4[nH]3)cc2)o1 586903940 VXUNJNRLIXEDIN-UHFFFAOYSA-N 367.330 5.689 30 1 FKEF CCCCCC/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821814 XZUCOPCLRJQVGH-AKMPQAHSSA-N 354.307 5.690 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OCCc2ccccc2)cc1 587907451 MJCDVVVNBFDYTD-UHFFFAOYSA-N 362.856 5.370 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(SC(F)(F)F)cc1 587914742 MRGJWIBHXTUVGE-UHFFFAOYSA-N 356.796 5.555 30 1 FKEF C/C(=C\c1cc2cc(C)ccc2nc1Cl)C(=O)c1cccc(Cl)c1 71281282 JTAUPVHBMZDKHQ-UKTHLTGXSA-N 356.252 6.136 30 1 FKEF CCCCCCCCCCCCCCCC(=O)OCCP(=O)(O)O 85849046 DBJIDTSPKCDNHE-UHFFFAOYSA-N 364.463 5.189 30 1 FKEF biogenic CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=C[C@H]2c1ccc(Cl)cc1 101351157 WFVNAYORKPDMLJ-SFHVURJKSA-N 363.888 5.711 30 1 FKEF C[C@]12CC[C@@H]3[C@H]4CC/C(=N\Oc5ccccc5)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O 299849569 LRXKTQOYKAJOCR-BQVVSKOOSA-N 365.517 5.355 30 1 FKEF CCCCCCCCCC[C@@H]1C(=O)O[C@H]1CCCSCCCN(C)C 299852764 XGDNYYSNFCAZBD-PMACEKPBSA-N 371.631 5.524 30 1 FKEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587191440 PCYGIWINOLBACH-OAHLLOKOSA-N 355.397 5.367 30 1 FKEF COc1ccc(/C=C\c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1 587905640 COXYJKDZXWPDEJ-YVMONPNESA-N 374.867 5.927 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc2c1-c1ccccc1C2(C)C 587911541 VGXWMJPSESZRIX-UHFFFAOYSA-N 358.868 6.055 30 1 FKEF Cc1cc(C#N)cc(C)c1Oc1cc(Cl)nc(Nc2ccc(C#N)cc2)c1 653701108 ZRWUUOGDOSDPHH-UHFFFAOYSA-N 374.831 5.631 30 1 FKEF CCCCCCC=CCCCCCCCCC[C@]1(O)C=CC(=O)[C@@H](O)C1 2356687449 QGMORWLDWJPVQC-GOTSBHOMSA-N 364.570 5.645 30 1 FKEF CCCCCCCCCCCCCCCCOC[C@H](C[N+](C)(C)C)OC 38143130 AWIKXQMXUCFSAM-QHCPKHFHSA-N 372.658 6.206 30 1 FKEF CCCCCCOc1ccc(/C(N)=N\Cc2ccccc2)c2c1CCCC2 45227971 DATWJNFFDBSGJH-UHFFFAOYSA-N 364.533 5.430 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)O)cc(O)c1O 140293492 ZEFXWSGFOUQFSK-YVUMSICPSA-N 358.478 5.137 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 253779021 LITALIXFZJINEA-JYRBRTRFSA-N 370.443 5.159 30 1 FKEF C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13 255262300 RGADTGZXHGYDQJ-LTZKVTMUSA-N 353.550 5.053 30 1 FKEF C=CCc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc12 586880439 PIKZWVUULCEGGS-UHFFFAOYSA-N 368.436 5.632 30 1 FKEF COc1ccc(-c2cc(-c3cc4ccccc4o3)nc(OC)c2C#N)cc1 653718540 YCSWKHSJWCFWJX-UHFFFAOYSA-N 356.381 5.051 30 1 FKEF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccc2oncc2c1 963192002 PMVJXSARAAYRQM-UPVQGACJSA-N 365.436 5.040 30 1 FKEF C=CC[C@H]1Oc2ccc(F)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493625 RWLAOUIUIWXAOY-QGZVFWFLSA-N 365.448 6.118 30 1 FKEF CC(C)c1cc(N/C(=N/C(C)(C)C)Nc2nccs2)c2ccccc2n1 29571614 ZXMFCSUTNSFWFY-UHFFFAOYSA-N 367.522 5.493 30 1 FKEF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(C#N)c3)o1)CC2=O 587470302 RUEOWUSPFXNWCA-QFIPXVFZSA-N 373.408 5.183 30 1 FKEF C=C(C)[C@@H]1CC[C@H](C)[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587824633 XZIUVYSIGXHYLX-AEVLCDIHSA-N 366.318 5.330 30 1 FKEF C=C(C)[C@]1(C)CC[C@@H]2[C@](CC)(CC[C@@H]3C(CC)(CC)[C@H](O)CC[C@@]32CC)C1 2356501250 SJVDEZBDRHOHIN-KZSUKHDLSA-N 374.653 7.533 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H]([C@H](C)CCC=C(C)C(=O)O)CC[C@]3(C)C[C@@H]12 2356599544 DIQGDBNYBUYWHQ-SGQGVKEISA-N 370.577 6.789 30 1 FKEF C[C@H](C=O)CCCCC[C@@H](CCCCC=CC(=O)O)Cc1ccc(O)cc1 2356778755 DEJPFGMDFBDYBL-VQTJNVASSA-N 374.521 5.538 30 1 FKEF C=C1C=CC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(C(=O)OC)ccc1O 2356800333 PYHPBXCXBLBMJC-RXDCQRPESA-N 354.490 5.296 30 1 FKEF CC#C[C@@H](CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2C)cc1 71334094 HDZWIFIVSXGBEY-HNNXBMFYSA-N 362.347 5.388 30 1 FKEF N#Cc1ccccc1SC1=C(O)C[C@@H](c2ccc(Cl)cc2)CC1=O 299829727 RPWVQVUPERVHJQ-CQSZACIVSA-N 355.846 5.220 30 1 FKEF N#Cc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1C(F)(F)F 587028625 XRZZJXLDTWKFCZ-UHFFFAOYSA-N 370.359 5.244 30 1 FKEF C=CCc1cccc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c12 587130001 IUUHIOSFHHXZQU-ZRDIBKRKSA-N 370.399 5.462 30 1 FKEF Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)c(C)n1CC(F)(F)F 587629783 HJUGNCOQIWBSHZ-UHFFFAOYSA-N 369.749 5.480 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(Br)cc1C 587900812 QPBYOUMJOOFLHV-UHFFFAOYSA-N 370.073 5.473 30 1 FKEF C=CC[C@@H](Nc1cccc2ncsc12)c1cn(C(C)=O)c2ccccc12 103209975 NDZVZIWXSQOJRA-QGZVFWFLSA-N 361.470 5.640 30 1 FKEF CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(C)ccc1C 104082227 UMFGINYPQRRSFK-XXBRTLJISA-N 367.489 5.311 30 1 FKEF C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587191857 SPKLAJJNCUVJHL-JTQLQIEISA-N 363.364 5.186 30 1 FKEF CCCCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820342 OWEVITRXWKKFNU-XJKSGUPXSA-N 356.323 5.914 30 1 FKEF Clc1ccc(Nc2ncccc2/N=C/c2nc3ccccc3s2)cc1 1772619798 DLNMWKUGGQCXRV-WSDLNYQXSA-N 364.861 5.839 30 1 FKEF CCC1=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCC=C(C)C)O[C@H]2[C@H]1O 2356332258 BMDMRPRGJZSKOI-VABKMULXSA-N 358.522 5.213 30 1 FKEF CN[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C=CC(=O)[C@@]45C[C@]35CC[C@]12C 2356470959 MASDPPBVOXPTTR-CRSVFONISA-N 369.593 5.379 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)[C@@H](CC(C)=CC(=O)O)OC(C)=O 2356544908 IGGKHPWWCRUXBE-JTYVBTRNSA-N 362.510 5.138 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)CC=C(C)CCC=C(C(=O)O)CC[C@@H]3[C@@H]12 2356640490 DTOMDHDCRRDBTA-QGGALAHASA-N 370.577 6.933 30 1 FKEF N#Cc1cnc2sc(-c3ccccc3)cc2c1Nc1ccc2[nH]ccc2c1 29047150 LBDSTAIEEDAXPE-UHFFFAOYSA-N 366.449 6.060 30 1 FKEF CCCCCCCCCCCCCCCCOCCC[n+]1ccccc1 42784539 JFTFAXKBFRAUBD-UHFFFAOYSA-N 362.622 6.862 30 1 FKEF CN(c1ccc2[nH]ccc2c1)c1c(C#N)cncc1/C=C/c1ccccc1 45300572 IXCRWOJIHRXWSN-BQYQJAHWSA-N 350.425 5.373 30 1 FKEF CCOc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1OCC 60215506 PBDFKCCMFLDQNI-UHFFFAOYSA-N 350.443 5.146 30 1 FKEF CCCCCCCCCCCCCCC/C=C\C=C\C(=O)NCC(C)C 111481388 LMZPUHBJSQVRHE-DCOWGZKISA-N 363.630 7.352 30 1 FKEF C=C/C=C/CCCCCCCCCCCCC/C=C\CCCCCCCC 219236105 ALOCDLUUNKDQHB-VUXJZKGLSA-N 374.697 10.107 30 1 FKEF CCCCCCC[C@@H]1CCC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587483460 QJHRKKUVWVJJCX-HXOBKFHXSA-N 358.522 6.209 30 1 FKEF CCCCCCC/C=C\C[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587487616 FTZMIVJOZBUBNA-GBJNBNQZSA-N 358.522 6.375 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)c(Cl)c1 587915582 YAZYVKAWACYYPB-UHFFFAOYSA-N 361.146 5.300 30 1 FKEF CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(O)cc3O)ccc21 1911585684 ZNQGLCGXBRXLSJ-XYOKQWHBSA-N 357.409 5.122 30 1 FKEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@H]12 2356677130 IIZXOWSEQGPRRJ-GNLZIIPMSA-N 368.517 5.746 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)Nc1c(C)cccc1C 2382247100 QTZBAZSKEYSZNA-UHFFFAOYSA-N 373.625 8.113 30 1 FKEF C=C1CCC=C2CCC3=C(C)CC[C@@H]([C@@H](C)CC/C=C(\C)CO)[C@@H]3[C@@H]1C2 13385132 JPWFNNHZPMNWHM-QWFABFIESA-N 354.578 6.761 30 1 FKEF CCCCCCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O 14096605 DDCHUOXPSILGQD-UHFFFAOYSA-N 370.486 5.041 30 1 FKEF CCCCCCCCCCCCCCCCNC[C@H](N)CCCCN 43328164 KMADGIPBKUIAFY-JOCHJYFZSA-N 355.655 5.514 30 1 FKEF C=CC[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 101505073 XWHJREUWFMMSHD-FQSWJAQOSA-N 371.548 5.460 30 1 FKEF C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587191503 QPCGTWBMBJPTJZ-INIZCTEOSA-N 369.424 5.154 30 1 FKEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587192284 XWKIGKQBAFCNRF-OAHLLOKOSA-N 363.420 5.881 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Br)c2ccccc12 587910287 UCAHTJBMEFXOPS-UHFFFAOYSA-N 371.661 5.664 30 1 FKEF C=C1C[C@](C)(c2ccc(Nc3nc4ccccc4c4occc34)cc2)OC1=O 5597192 JAVZRWSGWYSQKU-HSZRJFAPSA-N 370.408 5.443 30 1 FKEF C=C1C[C@](C)(c2cccc(Nc3nc4ccccc4c4occc34)c2)OC1=O 5597197 SZYYPLJCVPVSAB-HSZRJFAPSA-N 370.408 5.443 30 1 FKEF N#Cc1cnc2sc(-c3ccccc3)cc2c1Nc1cccc2[nH]ccc12 29047140 SLGVPUQAGYTPGZ-UHFFFAOYSA-N 366.449 6.060 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)c1nncs1 44416798 OGPJTMSGDUTXCW-KTKRTIGZSA-N 350.572 6.758 30 1 FKEF in-vivo Cc1ccc(/C=C2\CCC[C@@H]([C@@H](NO)c3ccc(C)cc3)\C2=N\O)cc1 102934957 HWQOPKDWYTZYLY-ROLSQFKISA-N 350.462 5.037 30 1 FKEF CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3cccc(C(F)(F)F)c3)c2O)O1 299823773 UTGQMDOHYHWACS-SOFGYWHQSA-N 374.358 5.491 30 1 FKEF Cc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1Cl 587231316 VICBTQVJLZYTBJ-UHFFFAOYSA-N 373.847 5.071 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3OC(F)(F)F)c(C#N)c2c1 587643838 XINLQIKWJUPQJE-LBPRGKRZSA-N 358.363 6.119 30 1 FKEF N#Cc1cc(Cl)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587950758 ULPGBDJKXUAALD-ZHACJKMWSA-N 371.827 6.051 30 1 FKEF CCC/C(O)=C1\C(=O)CCC\C1=N\CCc1c(C)[nH]c2ccc(C)cc12 1779851115 KNQBOQFYIWQWLX-UATKBZSTSA-N 352.478 5.133 30 1 FKEF CC(C)=N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C=N[C@H](C)[C@H]2CC[C@@H]34)C1 2356542741 DRZFZXHDHUZWHI-QDSFDNPXSA-N 352.566 5.868 30 1 FKEF COc1ccc2cc(C#CC3=CC(=O)C[C@H](c4ccc(F)cc4)C3)ccc2c1 61921104 AOFOXDPBTORAOE-JOCHJYFZSA-N 370.423 5.412 30 3 FKEF CC(C)(C)c1cc(SCc2ccc(C#N)cc2)cc(C(C)(C)C)c1O 3179092 UOTDHWCJHMNYKW-UHFFFAOYSA-N 353.531 6.151 30 1 FKEF C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\c1csc(C(C)(C)C)n1)OC 13473246 MLKFUZJJOBSFGQ-KOSHRXDPSA-N 373.606 7.108 30 1 FKEF CCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1 43382039 SLDHVILOEARTJZ-UHFFFAOYSA-N 362.542 6.873 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)c(O)cc2ncoc12 66080502 VRCMSDQYPBPHCD-YVUMSICPSA-N 355.478 5.580 30 1 FKEF biogenic CCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC 85922181 VQDTVACKRQGYIK-UHFFFAOYSA-N 366.630 7.966 30 1 FKEF endogenous,in-man COc1ccc(-c2cc3ccccc3nc2/C=C/C(=O)c2ccsc2)cc1 95597246 VQIYFSJVGWDPGM-ZHACJKMWSA-N 371.461 5.868 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)c(Cl)cc1N 587913980 RFCQUEABFWTKMX-UHFFFAOYSA-N 360.162 5.003 30 1 FKEF CC(C)C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 2356743201 JSHASXVESQAJJO-GHSKVMHMSA-N 366.589 6.759 30 1 FKEF C[C@]1(Cc2ccccc2C#N)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 61908514 MPRUXXKNLDWLCM-HSZRJFAPSA-N 372.855 5.331 30 3 FKEF C[C@]12CC[C@@H]3c4cc(C#Cc5ccccc5)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13491709 AWDSMAIEQICBQP-RBRLURDTSA-N 372.508 5.009 30 1 FKEF CCN(CC)OC(=O)c1ccc(-n2c(C)ccc2-c2ccc(F)cc2)cc1 40651434 GGTCHMBYVSMMFV-UHFFFAOYSA-N 366.436 5.005 30 1 FKEF C[C@H](SCc1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 586963910 RVYAFWQXYYPFSJ-NSHDSACASA-N 361.392 5.448 30 1 FKEF CCCCCCC[C@H](C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)SC 587532051 KOIYQIZODSYQCZ-RTBURBONSA-N 374.590 6.381 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1CC(=O)c1ccccc1 587901775 RXJBXABJKDKZLK-UHFFFAOYSA-N 360.840 5.174 30 1 FKEF Cc1c(F)ccc2c1[C@@](CC#N)(c1ccc(-c3ccccc3)cc1)NCC2 962092100 MIYLBIQNRKCLBA-XMMPIXPASA-N 356.444 5.104 30 1 FKEF C[C@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356488556 RDEAHSQXFDTFBM-IHMUCKAYSA-N 368.517 5.187 30 1 FKEF C[C@H](C=O)CCCCCC[C@@H](CCCC=CC(=O)O)C1CCCCC1 2356579473 DBJHMPRBVXWVSB-PMACEKPBSA-N 350.543 6.170 30 1 FKEF CN(CC#CCCC1SCCCS1)CCc1cccc2ccccc12 13821705 OPHMIKASTMSIIV-UHFFFAOYSA-N 369.599 5.294 30 1 FKEF Cc1ccc(NC(=O)Nc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2)cc1 73196746 XZVABCXRCKPWMV-CXUHLZMHSA-N 370.452 5.844 30 1 FKEF C/C(O)=N\c1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)cc1 74386840 QOLFJIJIXVSZCA-UHFFFAOYSA-N 360.392 5.721 30 1 FKEF CCCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818577 ISBYRLCIROSQQU-LIRRHRJNSA-N 370.350 6.304 30 1 FKEF C=C1CC([C@]2(C3CC3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)C1 962649526 XGZWZBNZOGSPEW-AZGAKELHSA-N 370.540 5.005 30 1 FKEF CCCCCCCC/C=C/CCCCCCCCOC[C@@H]1C[C@@H](O)CN1 1857536747 XNGAJZXAVLVICW-LZTDBUPCSA-N 367.618 5.763 30 1 FKEF CCCCCCCCC=CCCCCCC[C@H](C(=O)OC)[C@@H](O)C(C)=O 2356494091 RKVXHJRCUIJAHS-SFTDATJTSA-N 368.558 5.373 30 1 FKEF CCCCCCCCCCCCC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 43411373 KYBIHICBUSWGEK-VWLOTQADSA-N 374.609 7.794 30 1 FKEF CCCCCCCCCCCCCCCCCCCCCC(CC)CC 100308309 HCYGJXYCUXDCHD-UHFFFAOYSA-N 366.718 10.245 30 1 FKEF biogenic COc1cccc(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)c1OC 299863616 LFUNRKLVBWITKF-NTCAYCPXSA-N 362.400 5.406 30 1 FKEF C=C1CC[C@@H]2[C@@](C)(C(=O)NC3CC3)CCC[C@@]2(C)[C@@H]1CCc1ccoc1 473155241 QSRPQNVDNJKTDL-VAPSRWTKSA-N 355.522 5.270 30 1 FKEF N#Cc1ccc2c(C(=O)c3ccccc3OCc3ccccc3)coc2c1 587278003 BZBGHOVHPIKHMH-UHFFFAOYSA-N 353.377 5.114 30 1 FKEF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCC(C)(C)CC(C)=O 2356535372 XMGIBLOLCCXDOM-DHNNRRLOSA-N 362.554 5.724 30 1 FKEF CCCCCCCCCCCC=CCCC=CC=CC(=O)NCC(C)C 2356589880 WBBCNGSATYECFE-UHFFFAOYSA-N 361.614 7.128 30 1 FKEF CC1=C2C[C@@]34CC[C@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@@]12C=C[C@H]4[N@@]3C[C@@]31CCC2 2356772781 ILVMEIAAPCXAMU-KBBQVJQESA-N 373.584 5.870 30 1 FKEF C=CCN(C(=O)[C@@H](CCCC)[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 203466797 ILUKSHVAISHTLG-SFTDATJTSA-N 371.908 5.399 30 3 FKEF CCCCCCCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 43947354 IUWRBNUWOCNQKM-SFHVURJKSA-N 371.562 6.056 30 1 FKEF COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(C#N)c2cc1OC 95559323 UNXZHPIPCDCQKT-UHFFFAOYSA-N 366.420 5.458 30 1 FKEF Fc1ccc(-c2csc(N/N=C\c3c[nH]c4ccccc34)n2)c(F)c1 95576629 WBPPYDHHLBAYPQ-AFPJDJCSSA-N 354.385 5.016 30 1 FKEF CCCCCCCCCCCCCCCC/C(C(=O)O)=C(\C)C(=O)O 95593422 ZJAZMXKDLLQEGF-HNENSFHCSA-N 354.531 6.344 30 1 FKEF Cc1csc(SCc2ccc(-c3nc4cc(C#N)ccc4[nH]3)cc2)n1 587021062 HLSFHKOPQFWIMD-UHFFFAOYSA-N 362.483 5.159 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(F)ccc1Oc1ccncc1 587916963 UNEUZKRHFRFKTG-UHFFFAOYSA-N 353.780 5.075 30 1 FKEF CCCCCCCCCc1ccc(COC(=O)c2cccc(O)c2O)cc1 1857568708 LJIYZFKXSKQNFI-UHFFFAOYSA-N 370.489 5.748 30 1 FKEF CCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 49756982 NEBROMFXNXKLOG-UHFFFAOYSA-N 356.897 6.432 30 1 FKEF Cc1cc(C)c(Nc2cc(Oc3c(C)cc(C#N)cc3C)ncn2)c(C)c1 95572517 KNDAMKXCCKIVHJ-UHFFFAOYSA-N 358.445 5.426 30 1 FKEF CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C 96906280 OJEDLJOFFJSLLI-UHFFFAOYSA-O 355.631 5.680 30 1 FKEF C=CCn1c2ccccc2n2nc(C)c(-c3cc4c5c(cccc5n3)CC4)c12 587211166 AFXHNJLVKNSUKF-UHFFFAOYSA-N 364.452 5.097 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc2ccccc2c(Br)n1 587910872 WUXKNAQFRQYVIC-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3C 2356309183 JGZZOTUMEGZYFB-KIMMJKOXSA-N 358.522 5.086 30 1 FKEF C=C1OC(=O)C(=CCCCCCCCCCCCCCCCC)[C@H]1O 2356340468 PTTRTHRCPBSLRI-NRFANRHFSA-N 350.543 6.216 30 1 FKEF C=C(C(=O)O)[C@H]1CC[C@@H](CCC=C(C)CCC=C(C)CCC=C(C)C)CO1 2356587350 IFDPWHHQIPWEFF-DHIUTWEWSA-N 374.565 6.622 30 1 FKEF CCC(C(=O)Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F 3124622 YRJQJNGYQHEDRX-UHFFFAOYSA-N 367.211 5.165 30 1 FKEF biogenic Cc1cccc(Nc2nc(C)c(C(=O)/C=C/c3ccc(Cl)cc3)s2)c1 64526329 BVCIHGZFLOYHNA-DHZHZOJOSA-N 368.889 6.053 30 1 FKEF CCCCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C 66102694 YOXIQBPUPGISEN-UHFFFAOYSA-N 369.593 7.172 30 1 FKEF biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)N1CC[N+](C)(CC)CC1 72104854 BEMKWZUTVHJDTF-UHFFFAOYSA-N 367.642 5.776 30 1 FKEF CCCCCC/C=C\C[C@H](CCCCCC(=O)O)CCc1ccccc1 85506134 NMFIWEWVSZZXKA-AMZHIVGSSA-N 358.566 7.187 30 1 FKEF biogenic,in-vitro C=CC[N+](C)(C)[C@H]1CC[C@H](c2ccc(CCCCCCCC)cc2)CC1 254127873 CNJJTYNXDOVEAH-SOAUALDESA-N 356.618 6.878 30 1 FKEF C=C(CCC=C(C)C)[C@H](O)Cc1c(O)cc(O)cc1CCc1ccccc1 1857600409 PBCYEKDYUGPZLW-HSZRJFAPSA-N 366.501 5.089 30 1 FKEF CCCCCCCCC(=CC(=O)CCCCCCCC(=O)OC)OC 2356475377 ZMUBBDGDFMAIMP-UHFFFAOYSA-N 354.531 5.740 30 1 FKEF C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]21C)OC(C)=O 2356552253 KJYGPSIJPCJCAC-RXRQOCSWSA-N 362.510 5.138 30 1 FKEF COc1ccc2cc(C3=CC(=O)C[C@H](c4ccc5c(c4)OCO5)C3)ccc2c1 36389346 AFPBHTZKRPPMCN-HXUWFJFHSA-N 372.420 5.107 30 3 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(CCC/C=C/C(=O)O)CCC[C@@]23C)C1 27097977 RRWSYMHVTCDSNN-QUBPIYEFSA-N 370.577 6.933 30 1 FKEF CCCCCCC#C[C@H](c1ccc2c(c1)CCC(C)(C)O2)N1CCCCC1 103208410 WPCDCGVOUALWLK-HSZRJFAPSA-N 367.577 6.291 30 1 FKEF CCCCCCCCn1cc(CN2CCSCC2)c2cc(F)ccc21 168761455 YAOQSWGHRMKOHT-UHFFFAOYSA-N 362.558 5.690 30 1 FKEF COc1ccc([C@@H]2c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1C 963192008 PUHOPVSYXKOFON-ILBGXUMGSA-N 368.480 5.216 30 1 FKEF C/C(=N\Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccn1 1857755528 UQJVZELIQNXNMD-PCLIKHOPSA-N 370.481 5.708 30 1 FKEF CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@]35CC[C@@]12C 2356531438 YYXCNUVITXXGGX-MIHKUNMPSA-N 369.593 5.523 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C[C@@H]4[C@H](C)C=C[C@@H]4C(C(=O)O)=CC[C@H]3[C@@H]12 15150927 XYGOQXIIYXSIFJ-RWOKRPQZSA-N 368.561 6.254 30 1 FKEF biogenic CCCCCCCCCCCCCC[C@@H](CO)N(CCCC)CCCC 43552565 BMIRNPGGOJAGRW-DEOSSOPVSA-N 369.678 7.341 30 1 FKEF CN1c2ccccc2Sc2cc(NC(=O)c3ccc(N=[N+]=[N-])cc3)ccc21 64610494 LKSYILCQVKPJOZ-UHFFFAOYSA-N 373.441 6.113 30 1 FKEF CCCCCCCCCCC/C=C/CCCOc1ccc(C(=O)OC)cc1 169340454 KUXKRRPCJNENHT-BUHFOSPRSA-N 374.565 7.109 30 1 FKEF C[C@H](C1N=CC=N1)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253637127 RMALHIYLKVZMFX-VDLQLYRMSA-N 366.549 5.252 30 1 FKEF CCCCCC[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@]2(C)C=CC(=O)C=C12 261171811 TWSVBZORGBDMKX-CHURZMNXSA-N 368.561 6.060 30 1 FKEF FC(F)(F)c1cc(Cl)c2[nH]c([C@](F)(Cl)C(F)(F)F)nc2c1 587089807 HVRQPWSXXGLVCV-MRVPVSSYSA-N 355.040 5.159 30 1 FKEF CCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352421 JEDYLIMEGFITHF-FYYLOGMGSA-N 370.464 6.009 30 1 FKEF CCCCCCCCCCCCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587405565 MBDKTNUPNMNZMW-FQEVSTJZSA-N 373.581 7.002 30 1 FKEF CCC(=O)C=C[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)CCC[C@]23C)O1 2356415210 DJTVQIDPSCHPOP-HODOBFETSA-N 362.554 5.063 30 1 FKEF CSc1nc(Nc2ccc(Cl)cc2)c(C#N)c(-c2ccc(F)cc2)n1 27843576 YFXUFFAGMKXKQM-UHFFFAOYSA-N 370.840 5.273 30 1 FKEF COc1ccc(C2CCN(C)CC2)cc1C(=O)/C=C/c1ccccc1Cl 28871397 VBINFSZVAGWFPN-VQHVLOKHSA-N 369.892 5.054 30 1 FKEF O=C1CCCC2=C1[C@@H]1O[C@@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 66138943 FOXNCLKAQGPSAN-DHIUTWEWSA-N 374.461 5.405 30 1 FKEF CCCCCCCCCCCCCCC/C=C1/C(=O)O[C@@](C)(O)[C@@H]1O 203703687 NFTRQOSKSNZQCQ-XXYLFOOUSA-N 354.531 5.020 30 1 FKEF N#Cc1ccccc1SC1=C(O)C[C@H](c2ccc(Cl)cc2)CC1=O 299829721 RPWVQVUPERVHJQ-AWEZNQCLSA-N 355.846 5.220 30 1 FKEF CCC[C@@H](C)n1ccnc1/C=C/C(=O)/C=C/c1nccn1[C@H](C)CCC 473118676 LAHYVOROYJGZNA-SBOPJIEZSA-N 354.498 5.098 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)/C=C/c3ccccc3)c2c1 587642455 SFRVKXBIFWUBQX-BRADTZPFSA-N 371.402 6.596 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cc3ccccc3[nH]2)cc1 587906323 AEGONCGAOQFYDJ-UHFFFAOYSA-N 357.840 5.897 30 1 FKEF CC/C(=C\c1ccc(Cl)cc1)C(=O)/C=C/c1cccc(OC)c1OC 653865326 FUWNTQDEXKKARW-BMCDEEFISA-N 356.849 5.433 30 1 FKEF CC[C@H](C)C=CC=CC(=O)O[C@@H]1C=CC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C 2356531008 OPSLYPDRADIUGV-GASWSPIPSA-N 368.517 5.505 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)[C@@H](CCC(C)=O)[C@@](C)(CC(OC)OC)CC[C@H]12 2356758918 SFHOQLVZWUNZEX-PLJZGSKRSA-N 350.543 5.390 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1cc2scnc2cc1O 2356804907 VBGXCENGZWHWOD-FPHUIIFBSA-N 355.547 6.343 30 1 FKEF CCCCCCCN1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O 44220812 MXIGDYKENROXNA-HXUWFJFHSA-N 350.462 5.167 30 1 FKEF C=C1C[C@]2(CC[C@@]3(CCC[C@@H]3CO)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 85547223 QZQQCWGWNDJJMV-LBYRQTAISA-N 358.566 5.495 30 1 FKEF biogenic,in-vitro CCCCCCC/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821582 VXKQRVZNDIVMFM-KMRAWUOHSA-N 368.334 6.080 30 1 FKEF N#Cc1ccc2ccc([C@H](Nc3ccccc3)c3ccccc3)c(O)c2n1 653798374 FPNJMVXIUCNWPS-OAQYLSRUSA-N 351.409 5.014 30 1 FKEF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@H]1Cc1ccc(F)cc1 963205020 NAQZJNPSLNZCDX-BJKOFHAPSA-N 356.444 5.232 30 1 FKEF Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 1772585448 JXYDHORIMCUIDI-DJOYVXLESA-N 374.465 5.392 30 1 FKEF CC1=C[C@H](C)C[C@H](C)CCC[C@@H]2C=C(C)[C@@H](C)C[C@@]23OC(=O)C(=C1O)C3=O 2356342783 GNFFKZIDPGAGMZ-KLARDNQSSA-N 372.505 5.058 30 1 FKEF C[C@@H]1C(=O)C=C[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356477245 YVJHMEVFLXRRHO-GKMMLHIWSA-N 369.593 5.331 30 1 FKEF COc1ccc(-c2csc(N/N=C(\C)c3cc4ccccc4o3)n2)cc1 2382223752 JFDXBOHEPOWHIT-LPYMAVHISA-N 363.442 5.401 30 1 FKEF COc1cc(-c2cccs2)ccc1C(=O)/C=C/c1ccc(F)c(F)c1 29327409 RLESQWOIXPUREQ-WEVVVXLNSA-N 356.393 5.598 30 1 FKEF OCCCCCCCCCCCCCC#CC#CCCCCc1ccco1 35982984 ASJAOJGETFTZHI-UHFFFAOYSA-N 370.577 6.673 30 1 FKEF biogenic O=C(/C=C(\O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 102923029 SXUYERSHVPZXDJ-ULJHMMPZSA-N 366.420 5.321 30 1 FKEF C=CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 587629543 BACVTSNWVIMLEK-UHFFFAOYSA-N 353.746 6.375 30 1 FKEF CC(C)CC[C@@]1(C(C)C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963209468 XDILWNJMSTXWOC-JWQCQUIFSA-N 360.545 6.097 30 1 FKEF N#Cc1c(Cl)c2sc3cc(F)ccc3c2n2c1nc1ccccc12 1772626458 YWFMAHCETMXBNE-UHFFFAOYSA-N 351.793 5.520 30 1 FKEF CC(=O)OC1=C(C)[C@H](C=Cc2ccoc2)[C@]2(C)CCCC(C)(C)[C@H]2C1=O 2356461958 ZZMOWNDJRNFDCJ-WEYGHZABSA-N 356.462 5.161 30 1 FKEF CCCCC[C@H](F)C=C[C@H]1CCC(=NO)[C@H]1CCCCCCC(=O)O 2356732629 LQQORSBLZLAVKX-BZSNNMDCSA-N 355.494 5.743 30 1 FKEF CCCC/N=C/N1c2cc(OC)ccc2-n2cccc2[C@H]1c1ccccc1 206054000 FCGBHFNRQDBSEG-WDRHXJDGSA-N 359.473 5.224 30 3 FKEF CC1=C(/C=C/C(=O)/C=C/c2ccccc2C(F)(F)F)C(C)(C)CC[C@H]1O 40914493 OHJPHKSYXXNUGH-DHWIWGPVSA-N 364.407 5.341 30 1 FKEF C/C(O)=N\c1cccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)c1 74386898 BYRSCAKCJHJYGF-UHFFFAOYSA-N 360.392 5.721 30 1 FKEF CCCCCCCCCCCCCCC/C=C1/C[C@](C)(CO)OC1=O 85999721 PUKKHYJSOBFENT-XPUAKXTGSA-N 352.559 6.092 30 1 FKEF C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C 98052766 YYXCNUVITXXGGX-BHBOROIOSA-N 369.593 5.523 30 1 FKEF N#CCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515703 OSJGVPLFQDSCKF-HSZRJFAPSA-N 370.452 5.140 30 1 FKEF CCc1ccc(-n2c(C)cc(-c3[nH]c4cc(F)ccc4c3C#N)c2C)cc1 587634875 AJMQYUWAOUNQGJ-UHFFFAOYSA-N 357.432 5.816 30 1 FKEF O=C1/C(=C/c2ccc3[nH]ccc3c2)CCc2ccc(Br)cc21 1772611092 CGABBMJCKBLFBN-XNTDXEJSSA-N 352.231 5.143 30 1 FKEF CCCN(CCC)[C@H]1CCC2=C(CCC/C2=N\OCc2ccccc2)C1 27410580 FFMNBPGWAAZQPB-ZGBROZEESA-N 354.538 5.714 30 1 FKEF CCCCCCCCc1cc[nH]c1/C=C1\N=C(c2ccc[nH]2)C=C1OC 72107306 QDECVOJEFUIGHM-QNGOZBTKSA-N 351.494 5.620 30 1 FKEF C=C/C(C)=C/[C@@]1(C)SC(=O)C(CCCCc2ccc(Cl)cc2)=C1O 96142471 BSQJMQMJAIDRDR-FBRRREGBSA-N 362.922 6.029 30 1 FKEF CCCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O 141721256 OEEMQAJMAFWLIP-UHFFFAOYSA-N 364.526 5.660 30 1 FKEF C[C@@H]1CC[C@@H](C(C)(C)S)c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208898 FJILYQDDFYONED-CXAGYDPISA-N 373.521 6.136 30 1 FKEF CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(/C=N/O)c4ccccc43)CC2)CC1 1857542669 KXDZSADJKWDKCN-ATIASUJISA-N 367.537 5.301 30 1 FKEF CCOC(=S)N1CC(C)(C)CS/C1=N\c1ccccc1C(C)C 28948298 CRPCDMGHYJDRGR-MNDPQUGUSA-N 350.553 5.194 30 1 FKEF Oc1ccc(Br)cc1/C=N\CC12CCC3C[C@H](C[C@@H](C3)C1)C2 100311218 BCZKIYCXHNYUAA-ZOQYSNKKSA-N 362.311 5.180 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(OCC)=CC(=O)C1=O 238758764 QINHJKOWMCQSQA-OVOQHVDUSA-N 372.505 5.060 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C[C@@H](c4ccccc4)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 253851978 LVJHBULIPHDPOH-AFIUTERYSA-N 362.513 5.481 30 1 FKEF C=CCc1cccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587049066 OHARNUXOBJJUJV-UHFFFAOYSA-N 353.853 5.206 30 1 FKEF CCCCCCC/C=C/C[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444206 CGRSJSCVDCOMRP-CWLBHXMUSA-N 356.506 5.898 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CC#N)c2c1 587639452 WOVLZXNYFVRSGS-CYBMUJFWSA-N 367.290 6.177 30 1 FKEF CC#CCCCCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587957022 PRAJRPSREIWYNA-UHFFFAOYSA-N 354.441 6.081 30 1 FKEF CCCCCCCCn1cc(CN2CCC(C)CC2)c2c(OC)cccc21 1772613049 JRYXDGBHCHRRPI-UHFFFAOYSA-N 370.581 6.242 30 1 FKEF CCCCCCCCCCCCOC(=O)OCCc1ccc(O)c(O)c1 1857763934 YRWSQWDFCDHZGX-UHFFFAOYSA-N 366.498 5.714 30 1 FKEF CC(C)c1ccccc1-c1cccc(COc2ccc(C#CC(=O)O)cc2)c1 1857763959 IPHVVECWIKNKEI-UHFFFAOYSA-N 370.448 5.492 30 1 FKEF CCCCCCCCCc1cc(O)c(O)cc1CCCCCCCCC 73407954 FFJABUWUTYNPHD-UHFFFAOYSA-N 362.598 7.684 30 1 FKEF COc1ccc([C@H]2CC(O)=C/C(=N/CCc3c(C)[nH]c4ccccc34)C2)cc1 103530549 FJRNZFPUWVDSGW-UPZJTNLBSA-N 374.484 5.488 30 1 FKEF C=C1CC[C@@H]([C@@H](C)CC/C=C(\C)CO)[C@H]2[C@@H]1CCC1=CCCC(=C)[C@H]2C1 238741567 UTURTWRYGLGHFA-GUOXXBHWSA-N 354.578 6.616 30 1 FKEF O=C1C[C@@H](c2ccccc2)CC(O)=C1Sc1ccc(C(F)(F)F)cc1 299831473 IZSGRWORFDRBFE-ZDUSSCGKSA-N 364.388 5.714 30 1 FKEF CCCCCCCCCCCC(=O)Nc1ccnc(Br)c1 299871569 YRALHUYSOYTRSA-UHFFFAOYSA-N 355.320 5.704 30 1 FKEF N#Cc1c(-c2cc3cc(Br)ccc3o2)[nH]c2cc(F)ccc12 587632623 MJVXCSUCZPKRQW-UHFFFAOYSA-N 355.166 5.354 30 1 FKEF C=CCCCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811732 GWHAZWGZCMAAIL-ACJLOTCBSA-N 354.307 5.474 30 1 FKEF CCCCCCCCn1cc(CN2CCCCCC2)c2cc(F)ccc21 1772635151 SUMZWWZYKTYDRP-UHFFFAOYSA-N 358.545 6.517 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@](C)(CCC=C(C)C)[C@H]2CCC(C)=CC(=O)O 2356792818 GVNLWAMQXITKTC-YQIMAOPZSA-N 372.593 7.323 30 1 FKEF C(#Cc1cc(-c2n[nH]c3c2Cc2ccccc2-3)cs1)COc1ccccc1 28642613 BXBCZPPLGRTDAR-UHFFFAOYSA-N 368.461 5.140 30 1 FKEF O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccc(Cl)cc1Cl 49785009 MDIPDEKTQKDISX-ORCRQEGFSA-N 365.643 5.862 30 1 FKEF O=C(c1ccccc1)c1cccc(/N=C/c2ccc(C(F)(F)F)cc2)c1 49807989 UTZQMNKKWQBSEL-AFUMVMLFSA-N 353.343 5.687 30 1 FKEF CC(C)(C)CC(NC(=O)Nc1ccccc1F)(C(F)(F)F)C(F)(F)F 68574978 BPTFCZJKHMTVDA-UHFFFAOYSA-N 374.300 5.247 30 1 FKEF biogenic CCCCCCCCSC(=O)CCc1cc(OC)c(OC)c(OC)c1 73138910 MRALKFUGOJRMNU-UHFFFAOYSA-N 368.539 5.265 30 1 FKEF CCCCCCC[C@](O)(c1cccc(Cl)c1)c1cc(F)cc(OC)c1 84672354 PSOWQBJPHSBCMA-NRFANRHFSA-N 364.888 6.084 30 1 FKEF CO/N=C(/c1ccc(Cl)cc1)c1ccccc1COc1ccc(C)cc1 103274900 QVUKNHMHSPTUMS-GYHWCHFESA-N 365.860 5.626 30 1 FKEF Fc1ccc(Oc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1 103293241 AVQYQCBJLXTQMY-LPYMAVHISA-N 363.417 5.674 30 1 FKEF CCCCCCCCCCN1C=CC(=C/C=C2\C(C)=Nc3ccccc32)C=C1 367722004 BRTZIVCNKZVPIA-LFVJCYFKSA-N 374.572 7.586 30 1 FKEF CCCCCCCC(=O)NCCCc1nc2cc3ccccc3cc2[nH]1 587228040 FYHAEBIBGXQKGD-UHFFFAOYSA-N 351.494 5.125 30 1 FKEF CC#CCCCCCCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587957244 UJQZKKKSSCCHGH-UHFFFAOYSA-N 358.485 5.700 30 1 FKEF c1ccc2c(/N=C3\CCC[C@@H]4[C@H]5CCCN6CCC[C@H](CN34)[C@@H]56)cccc2c1 1857766748 RLFDSQPCCBINOD-FTEBMBOMSA-N 373.544 5.229 30 1 FKEF C=C[C@]1(C)CCC2=C(CC[C@@H]3[C@@](C)(OC(=O)CC(=O)O)CCC[C@@]23C)C1 2356333094 NKRZOAWZBYVTMB-XGARDCMYSA-N 360.494 5.036 30 1 FKEF CC(=O)O[C@@H]1c2oc(cc2C(C)C)[C@H](C)CCC=C(C)CC[C@@H]2O[C@]21C 2356573415 MVULDMBCESYPJZ-GZIQRIHMSA-N 360.494 5.789 30 1 FKEF O=C(O)CCCCCC#C/C=C\CCCCC#C/C=C/Br 38789020 PKRHWWLSHFMWNA-JWAPFZNZSA-N 351.284 5.054 30 1 FKEF Clc1ccc(-c2csc(NN=C3CCCCCC3)n2)c(Cl)c1 59193775 CJSWQSHRFRRFMC-UHFFFAOYSA-N 354.306 6.239 30 1 FKEF O=C1C(O)=C([C@H](Sc2ccccc2)c2ccccc2)C(=O)c2ccccc21 95593841 HHTNHLMQPDNDHE-HSZRJFAPSA-N 372.445 5.411 30 1 FKEF CCCCCCCCCCCCC[C@H](CC)Oc1ccc(C(=O)O)cc1 169344841 JGWIIOUNZRMXRF-NRFANRHFSA-N 362.554 7.243 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1C(=O)N(C(C)C)C(C)C 587901388 AMWABAGDPRNRJR-UHFFFAOYSA-N 369.892 5.007 30 1 FKEF C=C[C@@]1(O)CCCC[C@@H]1CC(Sc1ccccc1)Sc1ccccc1 5853210 JNVLBQIVAGOGES-XMSQKQJNSA-N 370.583 6.395 30 1 FKEF CC(C)c1cccc(Oc2cc(/C(=N/O)N(C)C3CCCCC3)ccn2)c1 72184804 CBOGNTGDXADIJW-GYHWCHFESA-N 367.493 5.398 30 1 FKEF N#Cc1cc(Cl)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083506 XGPUXEIITAPKRK-UHFFFAOYSA-N 373.630 5.610 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc3ccccc3c2)cc1 587906854 WFGQHKZUNYPMDA-UHFFFAOYSA-N 368.863 6.569 30 1 FKEF CCCCCCCCO[C@@H](c1cccc2ccccc12)P(=O)(O)O 44405145 RNQQAOXGNBOQNJ-LJQANCHMSA-N 350.395 5.393 30 1 FKEF CCCCCCCCCCCCCC[C@@H](C)CCCCCCCCCC 118606362 ZQPLZRKQNMWCPZ-SANMLTNESA-N 366.718 10.245 30 1 FKEF C=C1[C@@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)C(=CC)C(=O)C[C@]2(C)[C@@H]4CC[C@@H]13 2356586897 RGADTGZXHGYDQJ-UPCSWHOZSA-N 353.550 5.053 30 1 FKEF CC/N=C(S)\N=N\c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12 8693970 SBUUMMQPJROXGF-QURGRASLSA-N 372.881 5.438 30 1 FKEF CCCC#CCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27847037 DDWKWDCODVKKDZ-VQTJNVASSA-N 352.518 6.129 30 1 FKEF CN(Cc1ccccc1)Cc1ccc(/C=C2\Cc3ccccc3C2=O)cc1 45355190 FQNITJPHVSUPLX-HZHRSRAPSA-N 353.465 5.141 30 1 FKEF CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)s1 103581345 HMBTZCULLHNBMQ-WENBPLFZSA-N 373.518 5.318 30 1 FKEF N#Cc1cc(Cl)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587049516 MHBMEZUILPIQIP-UWVGGRQHSA-N 362.647 5.666 30 1 FKEF CCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602359 JMDZKWNUFMDHSS-UYAOXDASSA-N 354.446 5.473 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2ccc(Br)nc2c1 587913145 IEPLOYJLRLAUPI-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF Cc1ccc(C(=O)/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587966120 SBNSCAKMVJHCSL-CCEZHUSRSA-N 368.436 5.346 30 1 FKEF O=C(/C=C/c1c[nH]c2ccc(Br)cc12)c1cc2ccccc2[nH]1 1772621177 QCVHMIABYCHASI-VMPITWQZSA-N 365.230 5.308 30 1 FKEF C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772645360 VKTLHHJWBGZZJJ-BPQKTBECSA-N 369.593 5.619 30 1 FKEF C=C1CCCC(C)(C)[C@H]1CCC(C)=CCCC(C)=CCCC1=CC(=O)OC1 2356423364 WHYDZULPKRRAKT-QHCPKHFHSA-N 370.577 7.085 30 1 FKEF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H](CC(=O)/C=C/OC)O1 7992429 VRFMBSXPRBPZNN-CTDFXDFQSA-N 374.477 5.206 30 1 FKEF CCCC[C@@H](CC)C(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N 33855450 UJAKZFZFCPKDHF-SECBINFHSA-N 373.667 5.512 30 1 FKEF CCCCCCCCCC/C=C\COCc1ccc(CCC(=O)O)cc1 36350362 YIOIWUHXZCTWMX-QXMHVHEDSA-N 360.538 6.307 30 1 FKEF Cc1ccc(/C(=N/O)NCC(C)(C)C)c(Oc2ccc3ccccc3c2)n1 72102961 DRHAEOAWAPFDPT-UHFFFAOYSA-N 363.461 5.107 30 1 FKEF CCCCCCCCCCCCCCCCCCCCOC[C@@H](O)CO 85479801 IKSHIHFYUOTYKW-QHCPKHFHSA-N 372.634 6.398 30 1 FKEF biogenic CCCCCCCC1=C/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C 238780166 FUQGYJBNZNPALU-JXAWBTAJSA-N 351.494 6.121 30 1 FKEF N#Cc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1C(F)(F)F 587109325 MHBSVLXNEXVJSE-UHFFFAOYSA-N 373.231 5.278 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2ncc(Br)cc2c1 587910332 WAPQMGOQWYYOSL-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF CCCC[C@@H](C=O)NC(=O)OC(C)(C)Cc1cccc(-c2ccsc2)c1 27086286 AUQSSYRAIVVCDM-IBGZPJMESA-N 373.518 5.220 30 1 FKEF CCCCCC/N=C/N1CCC(C(c2ccccc2)c2ccccc2)CC1 27623257 RRQHGUAGZHTIQO-YYADALCUSA-N 362.561 6.139 30 1 FKEF CCCCCCCCCCCCCCCCCC[C@@H](C)C[C@H](C)C(=O)O 85642722 QYNTVLCDAYKUMH-PKTZIBPZSA-N 368.646 8.385 30 1 FKEF biogenic C=CCN(C)CCCC1=C2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CCC1 96269541 YSLAAIXQSARYGU-GZGNHOFSSA-N 359.642 7.244 30 1 FKEF C=C/C(C)=C/[C@@H](OC(C)=O)[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC 299857459 CXWJLWJZFUYTHL-IICAFPJNSA-N 374.521 5.002 30 1 FKEF C[C@@H]1C[C@@H]1c1ccc([C@H]2c3ccccc3CCN2[C@H](C#N)c2ccccc2)o1 963192990 JPEQHVVDFLMDDH-UFFXRUGOSA-N 368.480 5.615 30 1 FKEF COC1=C(C)C(=O)[C@@]2(CC=C(CCC=C(C)C)C[C@H]2C(C)C)C(=O)C1(C)C 1857754491 BZYZIWKMUTYFDN-CYFREDJKSA-N 372.549 5.810 30 1 FKEF C[C@@H](C=O)CCCCCC[C@H](CCCC=CC(=O)O)C1CCCCC1 2356579480 DBJHMPRBVXWVSB-WOJBJXKFSA-N 350.543 6.170 30 1 FKEF CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)C=C[C@@]45C[C@]35CC[C@]12C 2356614082 HKEBEMMDBQANKW-QOCBUHPSSA-N 367.577 5.299 30 1 FKEF C=C1C=CC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)ccc1O 2356800331 PYHPBXCXBLBMJC-DQOBCGMHSA-N 354.490 5.296 30 1 FKEF C[C@H]1C[C@@H](OC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC[C@H]1C 68574288 XVLYNZJKMFSBPX-CSMHCCOUSA-N 374.243 5.028 30 1 FKEF biogenic COc1ccc(/C=C/C(=O)c2ccccc2-c2cccc(F)c2)cc1OC 203351820 SRGWKRBCXHPAQL-ZRDIBKRKSA-N 362.400 5.406 30 1 FKEF CCCCCCCSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253637706 KJSNNKBWTXQJLG-FESYDTMPSA-N 368.583 5.685 30 1 FKEF CCCCCCCCc1c[n+](Cc2ccccc2)nn1Cc1ccccc1 1857537886 DIZXYCMTTWESGA-UHFFFAOYSA-N 362.541 5.170 30 1 FKEF C=C(C)[C@@H]1CC[C@]23CC=C[C@@H]4[C@H](C5(O)CCCC5)CC[C@]42C=CC(C)=C3C1 2356461890 XUJLIAWNZDUSTJ-SYJGVCCFSA-N 364.573 6.513 30 1 FKEF CC(C)=CCc1cc(C=CC(=O)c2ccccc2)cc(CC=C(C)C)c1O 2356562695 AJYVNFGRSSWURE-UHFFFAOYSA-N 360.497 6.306 30 1 FKEF CCCCCCC=CCCCCCCCC(=O)N[C@H](CC)C(=O)OC 2356808359 YRYSGQMHUIAXPV-LJQANCHMSA-N 353.547 5.312 30 1 FKEF CCCCCCCCN1CCC2(CC1)O[C@@H](CCCF)c1ccccc12 49695510 ZWCDRAZLDQFJFS-QFIPXVFZSA-N 361.545 6.159 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)(C)CO 100051264 VVEKMBGQZPFARL-QXMHVHEDSA-N 368.602 6.586 30 1 FKEF CCCCCCC/C=C\CCCCC1=C(C)N(C(=O)c2ccccc2)CC1 238746989 IDXJZUDVUAIXPB-KTKRTIGZSA-N 367.577 7.284 30 1 FKEF N#Cc1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050754 LYVGKXYQYKEUHS-UHFFFAOYSA-N 354.196 5.668 30 1 FKEF N#Cc1cc(Cl)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 587051531 YEZYTZWRIVOKBZ-UHFFFAOYSA-N 353.212 5.199 30 1 FKEF CCCCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1C 587560885 IECAWUFBGZUAJR-UHFFFAOYSA-N 373.541 5.988 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(O)cc2)cc1 587907548 NFHMLWFTCTVDNG-UHFFFAOYSA-N 350.801 5.246 30 1 FKEF CCC/C(O)=C1\C(=O)CCC\C1=N/CCc1c(C)[nH]c2ccc(C)cc12 1779851114 KNQBOQFYIWQWLX-BVGCCWJSSA-N 352.478 5.133 30 1 FKEF C=C1c2cccc(C(F)(F)F)c2O[C@H](C(=O)OCC)[C@@H]1CCC(C)C 13814723 QKZCICNBXBRQAT-PBHICJAKSA-N 356.384 5.095 30 1 FKEF Cc1cc2c(C)c(Nc3c(C#N)cncc3/C=C/c3ccccc3)ccc2[nH]1 45322223 JBXKODTZBBUAQG-CMDGGOBGSA-N 364.452 5.965 30 1 FKEF CCCC1(CCCC(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)CCCC1 85630828 ZRFKIKFIMHPVGN-CSKARUKUSA-N 372.505 5.473 30 1 FKEF biogenic,in-vitro CCCCCCCCC[C@@H](O)C#CC#C[C@H](O)CCCCCCCCC 141830795 WJIOWBUXVUOPKR-DNQXCXABSA-N 362.598 5.996 30 1 FKEF CCC=CCC=CCC=CCC=CCC=CC[C@H]1O[C@@H]1CCC(=O)OC 2356437526 WBYKJDXNMZXEMM-FGZHOGPDSA-N 358.522 5.849 30 1 FKEF CCCCCCCCCCCCCCCC(=O)NC=Cc1ccc(O)cc1 2356746105 USDGPNWPYCDHSB-UHFFFAOYSA-N 373.581 6.960 30 1 FKEF O=C1C(Sc2ccccc2)=C(Sc2ccccc2)C(=O)c2ccccc21 34759122 PQODPQJETIQPII-UHFFFAOYSA-N 374.486 5.862 30 1 FKEF Cc1ccc(/N=C2\SC(=NN(C)C)S\C2=N/c2ccc(C)cc2)cc1 73351178 XXBWNVLVZRXTRA-HIOQQWDOSA-N 368.531 5.376 30 1 FKEF CCCCCCCCCCCCCCCCCCC[C@H](CC(=O)O)OC 85845657 KSGSTJWFQSWMDL-JOCHJYFZSA-N 370.618 7.518 30 1 FKEF biogenic C/C(=C\C(=O)c1cc(O)cc2c1C[C@H](c1ccccc1)O2)c1ccccc1 238756704 DWLVEVYKWBKSNV-GTUDIADOSA-N 356.421 5.355 30 1 FKEF Cc1c(F)cccc1-c1cc(-c2nc3cccc(C#N)c3[nH]2)cc([N+](=O)[O-])c1 587136484 IXIWPHPENVZWSY-UHFFFAOYSA-N 372.359 5.124 30 1 FKEF C[C@]1([C@H](C#N)c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587505984 MXIJZBLARPMENF-XMSQKQJNSA-N 365.860 5.250 30 1 FKEF C=Cc1ccc([C@]2(C)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1 963191001 GLRJZURJZPXCJF-IZZNHLLZSA-N 364.492 5.716 30 1 FKEF O=C(/C=C/c1cc2ccccc2nc1Cl)c1ccc(Br)cc1 5379680 NLWSEBZEXGMGHF-JXMROGBWSA-N 372.649 5.547 30 1 FKEF CCCCCC(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl 33855479 UTSGBDCYTPIGSD-UHFFFAOYSA-N 355.048 5.658 30 1 FKEF Nc1nc(-c2ccc(-c3ccccc3)cc2)cn1/N=C/c1ccc(Cl)cc1 45393381 JUJVDRZOSIDMEJ-AFUMVMLFSA-N 372.859 5.335 30 1 FKEF CCCCCCCCCCC[C@H](O)CCOc1ccc(C(=O)O)cc1 169340483 DVZFYAYLZWNVEU-IBGZPJMESA-N 350.499 5.436 30 1 FKEF CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCC/C(O)=N/[C@@H]1C[C@@H]1O 328577314 LZHCSJBKBARIFQ-IBRIZBQMSA-N 359.554 6.222 30 1 FKEF in-vitro N#Cc1cc(Cl)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587016418 VOAVIKCWWSEKEC-UHFFFAOYSA-N 371.252 5.532 30 1 FKEF CCCCCCC/C=C/C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525865 SHCCIHHQIQECEV-XJCKULRNSA-N 354.534 6.596 30 1 FKEF CCCCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1 2356438757 RHNOVGQCBCXKQI-UHFFFAOYSA-N 374.609 7.894 30 1 FKEF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(O)CCO 13685184 GSKSTUBDYCGHNA-DOFZRALJSA-N 363.542 5.342 30 1 FKEF in-vivo CCCCCCCC/C=C\CCCCCCCCN1C[C@H](C)O[C@H](C)C1 43627999 MJJHRWHTMVNDJQ-CADWTGSVSA-N 365.646 7.133 30 1 FKEF C(=N/Nc1ncnc2sc3c(c12)CCCC3)\c1ccc2ccccc2c1 49069692 OENCOMCAKZMENU-WYMPLXKRSA-N 358.470 5.169 30 1 FKEF CCCCCCCCCC(=O)Oc1ccc(/C=N/Cc2cccnc2)cc1 98082164 FHQZPFKGDKMBRN-KOEQRZSOSA-N 366.505 5.747 30 1 FKEF C=C1C(=O)[C@@]23CC[C@H](C(=C)C)[C@@](C)(CCC(=O)OC(C)C)[C@@H]2CC[C@H]1C3 473128630 DEDQDHRGTFPFFT-WOEVYDRPSA-N 358.522 5.252 30 1 FKEF C=CCc1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587016694 ANXKEAFQTXWKLL-UHFFFAOYSA-N 352.850 5.130 30 1 FKEF COc1ccc(C(=O)c2c(C#Cc3ccccc3)sc3c2CCCC3)cc1 1772586150 NWKWORLDOYFXNG-UHFFFAOYSA-N 372.489 5.266 30 1 FKEF Cc1ccc(/N=C(/Cc2ccc(Cl)cc2)c2ccc(O)c(O)c2O)cc1 49047394 FDDBJQVPCJSGAA-NKFKGCMQSA-N 367.832 5.129 30 1 FKEF Cc1ccc(/C(=N/O)N2[C@@H](C)C=C[C@@H]2C)c(Oc2cccc(C(C)C)c2)n1 72185709 CVMVAMCGAIIGTQ-ZHIKWXMISA-N 365.477 5.090 30 1 FKEF C=C(C)C(=O)c1ccc(OCc2nc(-c3ccccc3)cs2)c(C)c1C 73295491 OWLHQKWCUZKNPS-UHFFFAOYSA-N 363.482 5.765 30 1 FKEF CC#CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137592995 JXCAWBKVCGIFHC-RZRCCKHBSA-N 356.594 6.056 30 1 FKEF CCCCCCCCCCNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 169348436 IIBFXIYSOBWVBW-JOWSBRCASA-N 357.494 5.242 30 1 FKEF CCOc1ccc(/C=C\C(=O)c2coc3ccc(Cl)cc23)cc1OCC 587276062 JIKUMOHWVDEYJE-YVMONPNESA-N 370.832 5.780 30 1 FKEF Cn1c(-c2ccccc2)c(-c2[nH]c3cccc(F)c3c2C#N)c2ccccc21 587636324 WDCRYUQHAHSSQB-UHFFFAOYSA-N 365.411 6.004 30 1 FKEF COc1nc(-c2cc3ccccc3o2)cc(-c2ccc(N(C)C)cc2)c1C#N 653713165 LYLBVHMVPPTKDM-UHFFFAOYSA-N 369.424 5.108 30 1 FKEF CCCCCCCCCC/C=C/c1ccc(CO[C@@H]2CN[C@@H](CO)C2)cc1 1857556209 ODWLIKOGNQYRDY-FUNIIJOYSA-N 373.581 5.470 30 1 FKEF C=CC[C@H]1Oc2c(C=C)ccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493651 XOSVCJKDUIUUIB-HXUWFJFHSA-N 373.496 6.622 30 1 FKEF C#CCN(Cc1ccccc1)Cc1cn(Cc2ccccc2)c2ccccc12 13807961 KEFBOBCOJZZLTJ-UHFFFAOYSA-N 364.492 5.325 30 1 FKEF C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(/C=C/C=C/C(=O)O)CCC[C@@]23C)C1 27101383 KNBVTHPKILKUNJ-WLFXDUQXSA-N 354.534 6.319 30 1 FKEF CCCCCCCC/C=C(\C(=O)CCCCCCC(=O)O)c1ccccc1 43606301 BKMOFNKPSZMYQM-PYCFMQQDSA-N 372.549 6.815 30 1 FKEF CCCCCCCCCCCCCCC=C1C(=O)OC(C)(C)OC1=O 72173027 XMNIVDJDPYNSRT-UHFFFAOYSA-N 352.515 5.840 30 1 FKEF CC(C)C1=C(Nc2ccccc2)c2ccc3c(c2C(=O)C1=O)CCCC3(C)C 101075696 SGQQVIJPBSJORP-UHFFFAOYSA-N 373.496 5.545 30 1 FKEF Cc1ccc(NC2=C(Nc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 103092439 VOVVFGVLXRWVBR-UHFFFAOYSA-N 368.436 5.118 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2cc(-c3ccccc3)[nH]c2c1 587907216 GRIJKGZMFRNYJH-UHFFFAOYSA-N 357.840 5.897 30 1 FKEF CCOC(OCC)c1cc(C)c(C#Cc2cc(Cl)ccc2OC)s1 587918782 ITYGOBQFWRRNRC-UHFFFAOYSA-N 364.894 5.190 30 1 FKEF CC=C1[C@@H](OC(C)=O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356553765 KQTRIZLQZKQLOA-KTGVFUQPSA-N 356.506 5.006 30 1 FKEF CCc1cccc(N(C)/C(N)=N/c2cc(Cl)cc(SC)c2Cl)c1 27424486 NPUSYLIXRVCBRB-UHFFFAOYSA-N 368.333 5.360 30 1 FKEF C=CCn1c(-c2ccccc2)c(-c2ccccc2)c2c(N)cc(N(C)C)nc21 43014407 FINVHDMSDASWIP-UHFFFAOYSA-N 368.484 5.205 30 1 FKEF CCCCc1nc(Cl)c(/C=C/C(=O)c2cccc3ccccc23)n1C 72107555 ZDGDKNMANJFIEV-BUHFOSPRSA-N 352.865 5.465 30 1 FKEF CC#CCCCCCCCc1nc2cc(Br)c(F)cc2[nH]1 587957012 PDFJHCCCSKUWKS-UHFFFAOYSA-N 351.263 5.371 30 1 FKEF CCCCCCCCCCCCCCCNC(=O)[C@H](O)c1ccccc1 1772604458 BAWUCSRMKAXHIP-JOCHJYFZSA-N 361.570 5.927 30 1 FKEF CC1CCC2(CC1)S/C(=N/Cc1cc(-c3ccccc3)on1)NC2(C)C 1772653087 AWWJEEVPDNOBPX-UHFFFAOYSA-N 369.534 5.262 30 1 FKEF CSC(=S)N1CC(C)(C)CS/C1=N\c1ccc(C(C)C)cc1 28948333 UXTBBRKLZMFTBC-SDXDJHTJSA-N 352.594 5.520 30 1 FKEF CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CC 84651502 CKLLUIWAABQSJZ-GMGKOPGTSA-N 354.575 6.338 30 1 FKEF N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1-c1ccccc1 200845305 IGCISZZQNUXVIL-UHFFFAOYSA-N 364.404 5.381 30 1 FKEF Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)no1 587627924 MKHLTQCZRPUAHM-UHFFFAOYSA-N 359.229 5.041 30 1 FKEF CCCCCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812141 IKGASZIOMLZROO-FZKQIMNGSA-N 356.323 5.698 30 1 FKEF CC1=C[C@H](C)C[C@H](C)CCC[C@@H]2C=C(C)[C@H](C)C[C@@]23OC(=O)C(=C1O)C3=O 2356342781 GNFFKZIDPGAGMZ-KAMXLUCRSA-N 372.505 5.058 30 1 FKEF CCCCCCCCCCCCCCCC[C@@H](CO)OC(=O)CCCC 2356651251 GSLIWVSCGYAKEW-QFIPXVFZSA-N 370.618 6.952 30 1 FKEF CCCCCCCCCCCCC/C=C/C(=O)C[C@H](O)COC(C)=O 96085666 DSLYZXQQSWFUHY-ANUWBXLYSA-N 354.531 5.127 30 1 FKEF CCCCCCCS[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 167939122 KCOKBDWYBNXFCM-SRMVCGNSSA-N 354.556 5.437 30 1 FKEF O=C1C(c2ccccc2)=C(c2ccccc2)c2cc(-c3ccccc3)ccc21 199029796 JFUVOTSBHORMOW-UHFFFAOYSA-N 358.440 6.509 30 1 FKEF C=CC(C)(C)C1=Cc2cc3ccc(=O)oc3c(C(C)(C)C=C)c2OC1(C)C 238781812 RKVGOIJZZDKZTK-UHFFFAOYSA-N 364.485 6.023 30 1 FKEF CCCCCC/C=C\CCCCCCC[C@@H]1C[C@H]2C[C@H](CC(=O)O2)O1 473123235 LMSHZJXELCDGJS-NLRJGAPMSA-N 350.543 6.107 30 1 FKEF CCCCCCCCCCCCCc1c(C)nc2cccc3c2c1CC3 587214565 UXRISMPMLVDRRF-UHFFFAOYSA-N 351.578 7.495 30 1 FKEF C=CCCCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812920 LZSCHFPDHDAMCY-FZKQIMNGSA-N 354.307 5.474 30 1 FKEF CCCCCCCCCCCCCCCC=C(C(=O)OC)[C@@H](O)C(C)=O 2356621541 GLIPXQAGIQSPTQ-NRFANRHFSA-N 368.558 5.517 30 1 FKEF C=C1CC[C@]2(C)C(C)=C[C@H](OC(C)=O)C[C@@H]2[C@@]1(C)CCC(C)=CC(=O)O 2356673316 GEQAFUXTJYVKAK-YUVXSKOASA-N 360.494 5.058 30 1 FKEF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1C[C@@H](OC(C)=O)c1ccoc1 36424199 XHLPHOWXYLFMPQ-PIBZIWMISA-N 374.477 5.137 30 1 FKEF biogenic,in-vitro N#Cc1ncc2cc(Cc3ccc(Cl)cc3)n(CC3CCCCC3)c2n1 45506525 ZMGKSZRPSXSLQP-UHFFFAOYSA-N 364.880 5.127 30 1 FKEF CCCCCCCCCCCCCCOc1ccc(C(=O)OCC)cc1 138341979 KKTHFJHQWXKAPF-UHFFFAOYSA-N 362.554 6.943 30 1 FKEF N#Cc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1O 587188652 SLJKCXKBRZAJGJ-UHFFFAOYSA-N 368.421 5.084 30 1 FKEF COc1cccc(-c2c(CCC=O)c(C3CC3)nc3c2oc2ccccc23)c1 587366053 PQQBETOKJYTUEU-UHFFFAOYSA-N 371.436 5.666 30 1 FKEF C=CC[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822500 KZIKEYVXGPGDDS-DFHBCGBQSA-N 352.291 5.084 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(-c2ccncc2)[nH]c2ccccc12 587911554 VOQITTWNMDALFK-UHFFFAOYSA-N 358.828 5.292 30 1 FKEF C=Cc1ccc([C@@]2(C)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1 963191005 GLRJZURJZPXCJF-UIOOFZCWSA-N 364.492 5.716 30 1 FKEF C[C@@H](C=NO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@@]21C 2356304497 LPFFRMGUWCHBIL-IJDPAOOOSA-N 358.526 5.492 30 1 FKEF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 33820960 GFECBJJQSLNADT-IHMUCKAYSA-N 368.517 5.187 30 1 FKEF CCCCCCCCCC(=O)Nc1c(O)cccc1-c1ccnc(C)c1 85646695 UVMGHINPEZOBGM-UHFFFAOYSA-N 354.494 5.842 30 1 FKEF biogenic C=C(C)[C@@H]1CC[C@H](C)[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587822694 MAVORXKBVQYJPG-PJHJGJPPSA-N 366.318 5.330 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)cc1Cl 587914542 IXDUZDUQPVIIQM-UHFFFAOYSA-N 361.146 5.300 30 1 FKEF CCCCCCCCn1cc(CN2CCCCC2)c2ccc([N+](=O)[O-])cc21 1857632677 RCHPGLSPZNLMNZ-UHFFFAOYSA-N 371.525 5.896 30 1 FKEF C=C1CCC[C@]2(C)[C@@H]1CC[C@H](C)[C@]2(C)Cc1cc(C(=O)OC)ccc1O 2356467327 MCWRSBQVRBILTP-SYMSJMEQSA-N 356.506 5.520 30 1 FKEF CCCCCCCCCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1 44093591 CFPRBGDXYCRNBJ-OBGWFSINSA-N 366.501 6.418 30 1 FKEF N#Cc1c(-c2cc(Cl)c3[nH]ccc3c2)ccn2c(CC(F)(F)F)cnc12 95576681 HAPVHUPVAOOCOS-UHFFFAOYSA-N 374.753 5.112 30 1 FKEF O=C1CC(c2ccccc2)(c2ccccc2)OC(O)=C1Sc1ccccc1 101318950 KYCJRYKVBZAPEV-UHFFFAOYSA-N 374.461 5.439 30 1 FKEF C=CCc1cccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587150822 TYCDQUVFBFYKCG-JOCHJYFZSA-N 357.432 5.632 30 1 FKEF C=C1C[C@@H]2C[C@H](C1)CC1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587817528 LOMRFZGIBTYUNY-WFDJVJNXSA-N 364.302 5.084 30 1 FKEF C[C@H]1C[C@H]2C3=CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 1772649980 MXQCNYCGJBPYDN-QAQHMLITSA-N 357.497 5.549 30 1 FKEF CCCCCCCCCCCCCCCCC(=O)C=C[C@@H]1O[C@H]1C(=O)O 2356388623 LOPUOQXRVYARTM-LEWJYISDSA-N 366.542 5.835 30 1 FKEF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356501556 FFRFYWBYDZTBDQ-FKXPRRGESA-N 368.605 6.983 30 1 FKEF O=C1C=C(c2ccc(Oc3ccccc3)cc2)C[C@@H](c2ccc(F)cc2)C1 36389303 IUQYFFPJALOHMH-LJQANCHMSA-N 358.412 6.148 30 3 FKEF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(C/C=C/CCCC#N)cc1OC2(C)C 27754024 PIWZORIYICBPSG-GGUXULKNSA-N 351.490 5.796 30 1 FKEF CC(C)(C)C#C/C=C/CN(Cc1ccccc1)c1cccc2c1CCC(=O)N2 29233129 FVAXDXPISQRVFR-WEVVVXLNSA-N 372.512 5.184 30 1 FKEF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1F)C1=C(CC(C)(C)CC1=O)N2 43014211 IOYSHVNHUBQIBG-OAQYLSRUSA-N 368.427 5.495 30 1 FKEF CCCCCCCCCCCCCCC/C(O)=C1\C(=O)[C@@H](C)N(C)C1=O 100090374 TZDVTFYLQHHLND-PXBNPBHZSA-N 365.558 5.709 30 1 FKEF in-vitro N#CCCN1CCCc2cc(/N=N\c3ccc(C(F)(F)F)cc3)ccc21 102498994 OYSDTEKMUOEYEN-IZHYLOQSSA-N 358.367 5.787 30 1 FKEF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@]5(CC[C@@]43C)CO5)[C@H]1CC=C2c1cccnc1 1772639931 FABONGUPFNAOSV-FJOUBNDVSA-N 363.545 5.887 30 1 FKEF Clc1ccc(-c2nnc(/N=C/c3ccc(Cl)cc3Cl)s2)cc1 1857575198 OVKISKAHFJKGMO-UFWORHAWSA-N 368.676 5.916 30 1 FKEF C=C1OC(=O)C(=C(C)CCCCCCCCCCCCCCCC)[C@H]1O 2356329255 ZMKLRFZQEDMTID-QFIPXVFZSA-N 364.570 6.606 30 1 FKEF Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3ccoc3)c2)n1 29125530 PPQSRRCNLVAGKQ-UHFFFAOYSA-N 366.342 5.321 30 1 FKEF Cc1ccc(Nc2cc(Oc3c(C)cc(C#N)cc3C)c([N+](=O)[O-])cn2)cc1 103256944 PTCCWGNZMKMHBA-UHFFFAOYSA-N 374.400 5.323 30 1 FKEF C=CCCC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1OCCCC 144224868 WUTTXXUHULMJBR-UHFFFAOYSA-N 369.509 5.694 30 1 FKEF CCCCCCC=CC[C@@H](CCC(C)C)CC[C@@H](CCN)CCC(=O)O 2356751462 IKGZORJBSFBHSK-FCHUYYIVSA-N 367.618 6.566 30 1 FKEF CSC(=CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)SC 28869238 CDONXKSKMBKYPS-UHFFFAOYSA-N 361.444 5.137 30 1 FKEF CCCCCCCC[C@H](O)c1ccc(/C=C\[C@@H](O)CCCC(=O)O)s1 73354841 FWUNPRXPKPPGLO-OWZUCASDSA-N 368.539 5.161 30 1 FKEF O=C(/C=C/c1ccc(N2CCCC2)cc1)/C=C/c1ccc(N2CCCC2)cc1 80121921 MPIPFAPMXOMPJC-KAVGSWPWSA-N 372.512 5.183 30 1 FKEF CC1(C(=O)/C=C(\O)c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 101080963 FSHKWBYMYDCHAB-HKWRFOASSA-N 369.892 5.110 30 1 FKEF C=CCc1cccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c12 587240892 RCCSDVSEROYDCX-UHFFFAOYSA-N 355.441 5.711 30 1 FKEF Cc1ccc2c([C@]3(CC#N)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587523804 HZQFUCHBKWWMRV-DEOSSOPVSA-N 370.452 5.130 30 1 FKEF CCCCC=CC#CC#CCCCCCCCC[C@@H]1C[C@H](COC)OC1=O 2356598266 LDAWMCULWDOTLF-DHIUTWEWSA-N 372.549 5.439 30 1 FKEF CCCCCCCCCCCCn1cc(C[N+](C)(C)C)c2ccccc21 84671424 PQIWDURNVWVQLI-UHFFFAOYSA-N 357.606 6.768 30 1 FKEF O=C1O/C(=N\c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CCCC2 103284333 ZICKQBJSBFGVOX-ATJXCDBQSA-N 367.832 5.376 30 1 FKEF CCCCCCCCCCC[C@H](O)CC(=O)N1CCC[C@H]1c1cccnc1 196210613 IVQPXCJLQNWLNQ-VXKWHMMOSA-N 374.569 5.417 30 1 FKEF C=CCn1c(O)c(N=NC(=S)Nc2ccc(C)cc2)c2ccccc21 253915826 SWDIIAHMGVHOKQ-UHFFFAOYSA-N 350.447 5.322 30 1 FKEF aggregator C=CCC[C@]1(CCC)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952463 HUWMVKGWOUNJDK-FQEVSTJZSA-N 367.455 5.318 30 1 FKEF O=C(/C=C/c1cc2ccc(Br)cc2[nH]1)c1cc2ccccc2[nH]1 1772603158 AYEVWGFMSDKTRA-BQYQJAHWSA-N 365.230 5.308 30 1 FKEF Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C#C[Si](C)(C)C)cc1 1857580003 XDQKFJFKQDUGGB-UHFFFAOYSA-N 374.516 5.131 30 1 FKEF CCCCCCCCCCOc1cc(O)cc(O)c1C(=O)[C@@H](C)CC 1857630193 CZSIBAQAJQUBNF-INIZCTEOSA-N 350.499 5.846 30 1 FKEF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)COC(C)=O)[C@H]1CCC(C)=CC(=O)O 2356727794 ULWOIBVJYLRVQJ-MXNKGDRCSA-N 362.510 5.140 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC[C@H](O)CCO 64625076 RWVSXDXGEPXFDB-DEOSSOPVSA-N 370.662 7.552 30 1 FKEF biogenic,in-vitro CON=C1[C@@H]2CC(C)C[C@@H]1[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 102227025 IDVQFEASHNUUHC-AWSWRJTOSA-N 370.443 5.015 30 1 FKEF O=C[C@H](c1cccc(Cl)c1)[C@@H]1c2ccsc2CCN1Cc1ccco1 962704162 IZVDQNDJTXLASM-QUCCMNQESA-N 371.889 5.077 30 1 FKEF O=C(C(=CNc1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccccc1 2356304906 HBFNBPHBMQAPKU-UHFFFAOYSA-N 367.370 6.041 30 1 FKEF C[C@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356528849 KLZYXWJPRWEJSX-IHMUCKAYSA-N 370.533 5.411 30 1 FKEF CCCCCCC=CCCCCCCCCCCCCC[C@H](C)C(=O)O 2356805162 VETWDHCFEYOOKH-QHCPKHFHSA-N 366.630 8.305 30 1 FKEF C=CCO[C@@H](c1ccc(OC)c(OC)c1OC)c1cccc2ccccc12 2382246326 TYSUMNQELNOWSL-OAQYLSRUSA-N 364.441 5.158 30 1 FKEF CCCCCCCCCCNC(=O)Nc1c(C(C)C)cccc1C(C)C 14234062 LNLNFZMKYNVYSR-UHFFFAOYSA-N 360.586 7.196 30 1 FKEF C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(C#N)CCCCC2)cc1O 28826568 OEQJXSVWDWNCHK-RTBURBONSA-N 351.490 5.839 30 1 FKEF O=C(/C=C/c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 29040271 VBRFCVQZJXRUHN-OVCLIPMQSA-N 361.828 5.488 30 1 FKEF CCCC[C@H](CC)C(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N 33855452 UJAKZFZFCPKDHF-VIFPVBQESA-N 373.667 5.512 30 1 FKEF C=CCc1cc(C)c(Oc2ccc(N)c(Nc3ccc(C#N)cc3)n2)c(C)c1 66259461 TXSIESATEJMIBC-UHFFFAOYSA-N 370.456 5.417 30 1 FKEF N#Cc1c(Cl)nc(SCc2ccc(Cl)cc2)nc1-c1ccccc1 72117130 ZENLHXZUOJRZCR-UHFFFAOYSA-N 372.280 5.614 30 1 FKEF COc1ccc(-c2ccc(-c3nc4ccc(C#N)cc4[nH]3)c(F)c2)c(F)c1 587151317 HGWLOFPYISEXLV-UHFFFAOYSA-N 361.351 5.055 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc2sc(S)nc12 587921448 ZGKXEDBBKXEGMH-UHFFFAOYSA-N 366.294 5.300 30 1 FKEF CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356313585 LUKFSWINVWQMNF-JGBJOPRDSA-N 362.485 5.137 30 1 FKEF CC#CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356425715 JXCAWBKVCGIFHC-ZCHBMYMGSA-N 356.594 6.056 30 1 FKEF C=C1C[C@@H](CCCCCCCCCc2cccc(OC)c2OC)OC1=O 29410509 MKFJRRMYWGERCT-LJQANCHMSA-N 360.494 5.239 30 1 FKEF in-vitro CCCCCCCOc1ccc(CNc2ccc(C(=O)OCC)cc2)cc1 43598429 XSWRXFKFYQGOEP-UHFFFAOYSA-N 369.505 5.825 30 1 FKEF C[C@H](SCc1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 586963386 MJRBEQAZWAJECW-NSHDSACASA-N 372.291 5.191 30 1 FKEF Cc1cc(Cl)ccc1OCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 587067225 ZHDXWAWMHWNTBR-UHFFFAOYSA-N 360.244 5.061 30 1 FKEF CCCCCCC[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812165 IOYDTXFTSIEUNY-IFXJQAMLSA-N 370.350 6.088 30 1 FKEF Cn1ccc2cc(/C=C3\CCc4ccc(Br)cc4C3=O)ccc21 1772615249 HHBRCXNUOWPIKT-LFIBNONCSA-N 366.258 5.153 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(OC)OC 2356403106 ZLHIOIIUQWUZEK-HAVKTDHXSA-N 366.542 5.275 30 1 FKEF CC(C)=CCCC(C)=CCCC(C)=CC[C@@]12CC(=O)O[C@@H](C=CC1=O)C2 2356478021 PEOSCKIZDYJJSE-NZQKXSOJSA-N 356.506 5.627 30 1 FKEF CCCCCCCCCCCCCCCCC1=C(C(=O)O)CN(C)C=C1 2356843070 NBRVGZZBUIKVGD-UHFFFAOYSA-N 363.586 6.698 30 1 FKEF CCCCCCCC/C(=N/S(=O)(=O)c1ccc(C)cc1)N(CC)CC 103198906 LWPJBHWACRPTJP-MRCUWXFGSA-N 366.571 5.175 30 1 FKEF C=CCCCCOc1ccccc1-c1cnc(OCCCCC=C)n1C 103245627 KYNHZQLXFMOHST-UHFFFAOYSA-N 354.494 5.557 30 1 FKEF Cc1ccc2c3c(cc(-c4ccccc4N=[N+]=[N-])nc13)-c1ccccc1C2=O 587096563 CYELLEVJLYADFP-UHFFFAOYSA-N 362.392 6.363 30 1 FKEF Cc1[nH]c2ccccc2c1[C@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3 587521474 CHHBRLYNQDXHSH-DEOSSOPVSA-N 370.452 5.130 30 1 FKEF C=CCC=CCC=CCCCCCCCC1=C(O)C(=O)C=C(OCC)C1=O 2356632908 TZHMUUDTNYTFMW-UHFFFAOYSA-N 372.505 5.680 30 1 FKEF C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)C2=C[C@@H](OCC)[C@H]1C3 2356766681 VGANWUYGRNLAJS-NPVOUGIASA-N 358.522 5.064 30 1 FKEF CC(C)CC[C@@H](C)CCCCCCCCC(O)=C1C(=O)[C@@H](C)N(C)C1=O 2356820563 FMLXCEGMUOREDJ-ZWKOTPCHSA-N 365.558 5.421 30 1 FKEF CCCCCCCCN1c2ccccc2C(=O)N(O)[C@H]1c1ccccc1O 2382246344 JFVRNPARVVHNSG-NRFANRHFSA-N 368.477 5.103 30 1 FKEF CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(C#N)c(F)c3)cc21 28878719 ZPSAYSOIUOZMIM-UHFFFAOYSA-N 353.397 5.043 30 1 FKEF CCCCCCCCCCCCCCCCCCC[C@@H](O)CCCCO 85922132 FOHAOMYPWYIZKI-XMMPIXPASA-N 370.662 7.552 30 1 FKEF biogenic Cc1ccc(-c2cc(N3CCCCC3)c(C#N)c(-c3ccccc3)n2)cc1 96932224 DBXRLXVTWNUHCR-UHFFFAOYSA-N 353.469 5.586 30 1 FKEF CCCCCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812143 IKGASZIOMLZROO-UGSOOPFHSA-N 356.323 5.698 30 1 FKEF CCCCCCCCOc1ccc2c(Nc3cccc(F)c3)ccnc2c1 1857568036 FYWFOPOLNPFENF-UHFFFAOYSA-N 366.480 6.857 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)CC=C(C)CCC=C(CO)CC[C@H]3[C@@H]12 2356575168 DCNGLOIOZYSSRI-ARXROMJUSA-N 356.594 6.840 30 1 FKEF CC1=C(/C=C/C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C(C)(C)CC[C@@H]1O 40914808 ZDQCTNQLBLFXHK-ONZZCNAHSA-N 364.407 5.341 30 1 FKEF Cc1cccc2c1CC[C@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963197944 UMLGBXSAPKLVAS-UIOOFZCWSA-N 364.492 5.308 30 1 FKEF CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(F)c(C#N)c3)cc21 28878725 GUAUGWVAZGIIGV-UHFFFAOYSA-N 353.397 5.043 30 1 FKEF N#Cc1ccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cc2c1 73168583 QISBFWNFQHDNBK-UHFFFAOYSA-N 363.247 6.452 30 1 FKEF CCCCCCCCCCCCCCC/C(O)=C1\C(=O)[C@H](C)N(C)C1=O 100090368 TZDVTFYLQHHLND-ONNQFXDFSA-N 365.558 5.709 30 1 FKEF in-vitro CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 103522962 OFOWCZOSBWSWRU-PMIVHWTLSA-N 371.452 5.223 30 1 FKEF CCCCCCCCCCCCCCCCCCCCC[C@H](O)[C@H](C)O 217492244 YEOSOICZEMHKCB-ZEQRLZLVSA-N 370.662 7.550 30 1 FKEF CCCCCCCCCCCCSC1=CC(=O)N(C(C)(C)C)[S@@]1=O 253679590 XQOXCGDCQZWLSJ-XMMPIXPASA-N 373.628 5.786 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(S)n2)cc1 587920646 KRYOUDFUMIKJNK-UHFFFAOYSA-N 357.887 5.161 30 1 FKEF CCCCCCN(C)[C@@H](C)Cc1cc(OC)ccc1C#Cc1ccccc1 27710843 RJUJJWQJDHOPPM-NRFANRHFSA-N 363.545 5.538 30 1 FKEF C=C[C@@H](C)[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29415356 ROQNRNMUXQFMDI-QKFKETGDSA-N 361.485 6.225 30 1 FKEF C=CCc1ccc(OC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(OC)c1 34634773 UCBNCRLXJCEERQ-KRWDZBQOSA-N 352.474 5.331 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 169320355 VTOAEHWHEKFQCU-FOWPBFGXSA-N 370.443 5.159 30 1 FKEF CN[C@H]1CC[C@@H](n2cc(-c3cccc(N)c3C)c3cc(C#N)c(C)cc32)CC1 1857645129 YVGNCLUAMJIPOL-KDURUIRLSA-N 372.516 5.082 30 1 FKEF CCOC1=CC(=O)C2=C(C[C@@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]43C)C2)C1=O 2356799422 UKZZXHRGEFTKRE-HBUYNFGHSA-N 370.533 5.398 30 1 FKEF CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(C#N)c3ccc(OC)cc3n21 13606378 TYVOHEMRNQVLOQ-MRXNPFEDSA-N 360.457 5.485 30 1 FKEF CCCN(CCC)[C@H]1CCC2=C(CCC/C2=N\OC(=O)c2ccccc2)C1 38825324 DFHJGWUDXWMIOD-YVURAWIMSA-N 368.521 5.354 30 1 FKEF CCCCCCCCCCCCCCCCCCOC(=O)[C@H](C)CC 169622359 FMLBCRIMQVKRJY-JOCHJYFZSA-N 354.619 7.837 30 1 FKEF CCCCCCCCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587488274 IRZYACTYQUYRJS-SFHVURJKSA-N 360.538 6.599 30 1 FKEF C=CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc([C@@H](C)CC)cc12 587642611 ORBRANOPUJXUFX-AWEZNQCLSA-N 357.419 7.096 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(C)c1Cl 587899946 KGIIGKYKPWVVPC-UHFFFAOYSA-N 370.073 5.473 30 1 FKEF C=CC[C@H](CCC=CC=CCCC=C[C@@H]1CSC([C@H]2C[C@@H]2C)=N1)OC 2356451097 SSJXRCYFOOLEKV-BQJUDKOJSA-N 359.579 5.976 30 1 FKEF CCCC/N=C/N1c2cc(OC)ccc2-n2cccc2[C@@H]1c1ccccc1 206053980 FCGBHFNRQDBSEG-HHEUTOACSA-N 359.473 5.224 30 3 FKEF C=C[C@H](O)c1cccc2c(Nc3ccccc3C)c(C(=O)CCC)cnc12 13742258 KUKOSVSPTNAXFG-FQEVSTJZSA-N 360.457 5.489 30 1 FKEF C[C@@H](/C(O)=N/CCc1ccc(Cl)cc1)[C@@H]1Sc2ccccc2N=C1O 34858451 GETLKDULSFFSOO-PXAZEXFGSA-N 374.893 5.238 30 1 FKEF CC(C)c1ccccc1Sc1c(O)cc(-c2ccc(C#N)cc2)oc1=O 36124555 UFHRLSMTRRLBHO-UHFFFAOYSA-N 363.438 5.159 30 1 FKEF CCCCCCCCc1c2c(c(C)c3c1C(=O)OC3)Oc1ccccc1O2 43552740 NKNWKJDHFDHAOT-UHFFFAOYSA-N 366.457 6.466 30 1 FKEF C=CCN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 100872606 QSXQUGAVUQQEHB-XPNTWCBSSA-N 367.920 5.627 30 1 FKEF N#Cc1cc(F)ccc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 587157879 OMNOHJMWQOBZLS-UHFFFAOYSA-N 373.231 5.278 30 1 FKEF CCCCCCCCCCCCC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587402420 COSLURFVERLMKN-DEOSSOPVSA-N 373.581 7.002 30 1 FKEF Cc1nc([C@@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cs1 261142828 NIYPNKHDGWDAOX-QPJCPEQFSA-N 369.574 6.067 30 3 FKEF C=C(/C=C/C=C/C=C(\C)C=C(C)C)Cc1ccc(C(=O)O)c(C)c1C(=O)O 14613939 YEQPHDAWCIUOAW-UANUYKJMSA-N 366.457 5.515 30 1 FKEF C=CCOc1ccc(/C=C/[C@H](CCCC)c2ccc(OC)cc2OC)cc1 28566785 XDCKMBIYZQPNTC-JTPHSUOKSA-N 366.501 6.256 30 1 FKEF CCn1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c(C#N)c1=O 96935443 RMRYUXCYHXPTQC-UHFFFAOYSA-N 369.251 5.381 30 1 FKEF CCCCCCC/C=C/C[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444225 CGRSJSCVDCOMRP-QOZRNZOTSA-N 356.506 5.898 30 1 FKEF Cc1cccc([C@@]2(C[C@@H](C)C#N)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508415 VTPACCUNZUPNNG-MZNJEOGPSA-N 359.469 5.284 30 1 FKEF COc1ccc2nc(NCc3ccc(-c4ccccc4C#N)cc3)sc2c1 653899217 KWYXSXFMDGOCIY-UHFFFAOYSA-N 371.465 5.456 30 1 FKEF CCc1ccc([C@]2(C)c3ccccc3CCN2[C@H](C#N)c2ccccc2)o1 963190397 NMBQCDAZHKRBPS-VWNXMTODSA-N 356.469 5.228 30 1 FKEF C=CC[C@H](c1ccc(O)c(C(C)C)c1)c1c(C)cc(OCC(=O)O)cc1C 26718186 AWOYKHJWMXPCTQ-LJQANCHMSA-N 368.473 5.304 30 1 FKEF CCCCCCCCOc1ccccc1[C@H]1CC(=O)c2ccc(O)cc2O1 299830592 IQKPXADUGKNVRX-HSZRJFAPSA-N 368.473 5.838 30 1 FKEF CCCCCCCCCCCCCC(=O)c1coc2ccc(Cl)cc12 587275829 GKYOYAWKAQLWQC-UHFFFAOYSA-N 362.941 7.970 30 1 FKEF CCCCCCC/C=C\C[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587525967 ULUGQHVEZCADLO-VPUOEENPSA-N 368.561 6.986 30 1 FKEF Cc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C#N)c(C)n1-c1ccccc1F 587645833 LIEJFUGZIYXTBX-UHFFFAOYSA-N 374.375 5.161 30 1 FKEF CC(C)(C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587882561 FYTONYUOGPDOHO-UHFFFAOYSA-N 374.311 5.001 30 1 FKEF C=C(C)[C@@H]1CCC(C)=CCCC(C(=O)O)=CCCC(C)=C[C@@H]1OC(C)=O 2356519967 UEZWBWGIEOHSAA-SFTDATJTSA-N 360.494 5.368 30 1 FKEF CC=C1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@]35CC[C@]12C 2356531439 YYXCNUVITXXGGX-OOCSGFKSSA-N 369.593 5.523 30 1 FKEF CC(C)=CCC[C@@]1(C=O)[C@H]2CC=C(C)CCC=C(C)CC[C@H]1[C@]1(CC2)CO1 2356626559 CFTIGVMTUOJNLU-LIONHTAISA-N 370.577 6.570 30 1 FKEF CCCCCC#CCc1cc(OC)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 27754592 VXCPTRRVQGVIOH-SFTDATJTSA-N 366.545 6.432 30 1 FKEF C[C@H](/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 34513609 RDEAHSQXFDTFBM-JASPGECPSA-N 368.517 5.187 30 1 FKEF COc1ccc(Oc2c(-c3ccccc3C#N)sc3ccccc23)cc1 45353099 HYOWADHMHYXSGK-UHFFFAOYSA-N 357.434 6.241 30 1 FKEF CCCCCCCCCCCCCCCC[N+](C)(CCCC)CCCC 49679932 LXFSLIPLYYREGP-UHFFFAOYSA-N 368.714 8.515 30 1 FKEF C=C(C)[C@H]1CC2=C(C)C=C[C@@]34C[C@@H](C5(O)CCCC5)C[C@@H]3CC[C@H](C1)[C@]24C 85550160 NFJOKXMTRSOFNT-XBMHUJOKSA-N 366.589 6.593 30 1 FKEF biogenic,in-vitro CCCCCCCSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344227 KJSNNKBWTXQJLG-UYURBRBMSA-N 368.583 5.685 30 1 FKEF CCCCCCCCCCCN1c2ccccc2Sc2ccccc21 299825664 ZPXYTMQLDANZPI-UHFFFAOYSA-N 353.575 7.820 30 1 FKEF CCCCCCC[C@@H](C[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)SC 587448947 NSXJREQDONZULU-OKZBNKHCSA-N 362.535 5.293 30 1 FKEF N#CC[C@@]1(c2cc3ccccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587535345 KGFPZNYWNSIZMD-QHCPKHFHSA-N 373.477 5.554 30 1 FKEF C/C(=N\Nc1nc(-c2ccncc2)cs1)c1ccc(Cl)c(Cl)c1 1857644241 CXQVFWRWVNVYKS-UFFVCSGVSA-N 363.273 5.348 30 1 FKEF COc1ccc(/C=C2\CCC/C(=C\c3cccc(Cl)c3)C2=O)cc1OC 1857656485 SQYCCLBFWHZRAF-JYFOCSDGSA-N 368.860 5.577 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 169333007 LITALIXFZJINEA-FOWPBFGXSA-N 370.443 5.159 30 1 FKEF C=CCc1c(C)nc(-c2ccccc2)nc1/N=N/[C@@H](C)c1ccc(N)cc1 169688058 QEWRDUPTZMKHFU-HIUCBWPRSA-N 357.461 5.608 30 1 FKEF CCCCCCCCCCCCCCCC[C@H](O)COC(=O)CCC 238744909 HHBUOVHQWYDECD-NRFANRHFSA-N 356.591 6.562 30 1 FKEF C=C[C@]1(C)CC[C@@H](C(=C)COC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=C)C 299831521 CIQWSRCVNCCRMS-KAGYGMCKSA-N 369.461 5.493 30 1 FKEF C[C@H](Oc1ccc(C#N)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587189808 FNKRCEQFCNMBLF-INIZCTEOSA-N 369.424 5.154 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1-c1nc2ccccc2[nH]1 587902871 QZVVHOZDXJDIRN-UHFFFAOYSA-N 358.828 5.292 30 1 FKEF CCCCCCCCC[C@@H](C)[C@@H]1c2ccsc2CCN1Cc1ccco1 962712585 VDYDOQNXTKUAFF-AUSIDOKSSA-N 373.606 7.217 30 1 FKEF CCCCCCCCCCCCC(=O)OCCc1ccc(O)c(O)c1 1857627710 JXUDGJDKCUUVES-UHFFFAOYSA-N 350.499 5.495 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(OCC)=CC1=O 2356794107 KXYBFLVVTOCOSE-RAKGIWIYSA-N 356.506 5.174 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)C3=C(CO)CC[C@H]12 2356794474 HXDMYQBRFKEQKN-UOCCMLRVSA-N 368.561 5.795 30 1 FKEF CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1 26578954 JBTLCAMUYYCXTA-UHFFFAOYSA-N 362.560 5.132 30 1 FKEF CCCC[C@H](CCC=O)CCCCCCCc1ccc(CC(=O)OC)o1 38824955 CZTVQWDSMYFZBS-IBGZPJMESA-N 364.526 5.664 30 1 FKEF biogenic CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1 101460523 ARWSHRKSIHBQCG-PLQXJYEYSA-N 358.634 7.102 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccccc1F)N[C@H]2c1ccccc1F 253732036 DPBGDUIBZNSYMQ-OXKOOJOMSA-N 370.443 5.159 30 1 FKEF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(C#N)cccc4[nH]3)cc2)CC1 586881183 QWFVQIMRLUUVCN-IYARVYRRSA-N 357.501 6.566 30 1 FKEF N#Cc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586974949 HTKAHXQHDBESTE-UHFFFAOYSA-N 367.033 5.171 30 1 FKEF CCCCCCC/C=C/C[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587487620 FTZMIVJOZBUBNA-RGPPVUSESA-N 358.522 6.375 30 1 FKEF CCCCCCCCC=CCCCCCCCCCCC[C@@H](O)C(=O)O 2356430292 IWAIJBHTQSBAOZ-JOCHJYFZSA-N 368.602 7.030 30 1 FKEF CCCCCCCCCCCCCCO[C@@H](CC(=O)O)C[N+](C)(C)C 43273657 WSVJUZMWTWKVKZ-FQEVSTJZSA-O 358.587 5.254 30 1 FKEF CCCCCCCCCCCC(=O)CCCCCCCCCC(=O)OC 238750427 CEGCNYBSUZOLQK-UHFFFAOYSA-N 368.602 7.160 30 1 FKEF N#Cc1cc(Cl)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 587144703 CBMOPVGFPISUKC-UHFFFAOYSA-N 365.770 5.700 30 1 FKEF C=C(C)CO[C@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365444 KVMQGRFQFFNGOC-FQEVSTJZSA-N 371.436 5.847 30 1 FKEF Cc1cc(-c2[nH]c3cccc(F)c3c2C#N)c(C)n1CCc1ccccc1 587635832 OBWRWUWLSAYPCG-UHFFFAOYSA-N 357.432 5.507 30 1 FKEF C=CCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810387 CLESJJLEWFGQDG-XOBRGWDASA-N 374.297 5.332 30 1 FKEF CCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(Cl)cc2)c1C#N 653719935 WKYDEJVROGGRLH-UHFFFAOYSA-N 374.827 6.086 30 1 FKEF N#Cc1ccccc1OCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 653909276 VFPSYPIAJHWKBP-UHFFFAOYSA-N 370.330 5.343 30 1 FKEF N#Cc1ccc(N2CCc3cc(-c4cccnc4)ccc32)cc1C(F)(F)F 1857543255 SOBXJTYVVOAFCI-UHFFFAOYSA-N 365.358 5.333 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC=CC(C)=O 2356684041 KNRXBOCDMJMJJX-HFCLOAOQSA-N 360.538 5.802 30 1 FKEF C/C(O)=N\c1ccc(Nc2cc3[nH]c(-c4cccc(F)c4)cc3cn2)cc1 74373036 JBCHBVVVUUKDNI-UHFFFAOYSA-N 360.392 5.721 30 3 FKEF CCCCCCCCCCCCCC(C)(C)Oc1ccc(C(=O)O)cc1 169344851 YMCYYSJCDLMQIH-UHFFFAOYSA-N 362.554 7.243 30 1 FKEF N#Cc1nc(Cl)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587051077 RUSBYYUMGSFZPS-HTQZYQBOSA-N 363.635 5.061 30 1 FKEF N#Cc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1C(F)(F)F 587085623 XGSGCBCWFKGALF-UHFFFAOYSA-N 372.737 5.322 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cccc(C(=O)c2ccccc2)c1 587898949 UVVNMKWIECFDAA-UHFFFAOYSA-N 360.840 5.174 30 1 FKEF CC(=NCCCN=C(C)C1=C(O)C[C@@H]2[C@@H]1C2(C)C)C1=C(O)C[C@H]2[C@@H]1C2(C)C 2356823978 GQSYNRVWXDMYPD-YQMDMEMYSA-N 370.537 5.274 30 1 FKEF C=CCc1ccc(OC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(OC)c1 34634772 UCBNCRLXJCEERQ-QGZVFWFLSA-N 352.474 5.331 30 1 FKEF N#Cc1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(C(F)(F)F)c1 40880303 OWGOZATYICYHHJ-UHFFFAOYSA-N 354.331 5.040 30 1 FKEF C[C@H](CCCCCC(F)(F)F)CC1=C(O)C(=O)c2ccccc2C1=O 84741393 UCBMNCBUSLMGJB-GFCCVEGCSA-N 354.368 5.417 30 1 FKEF CCCCCCCCCCCCCCC/C=C(/C(=O)OC)[C@H](O)C(C)=O 138214485 GLIPXQAGIQSPTQ-BIZYMNTOSA-N 368.558 5.517 30 1 FKEF N#Cc1ccc2c(C(=O)c3cccc(OCc4ccccc4)c3)coc2c1 587279157 OORKPZOJDYALPQ-UHFFFAOYSA-N 353.377 5.114 30 1 FKEF CCCC1CCC(c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)CC1 587906413 DZTFGZHZRIJRHY-UHFFFAOYSA-N 366.932 6.822 30 1 FKEF CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc21 653790984 XPQMPTOKWKPXEJ-RIYZIHGNSA-N 359.856 6.364 30 1 FKEF C=C[C@]1(C)CCC2=C(CC[C@@H]3[C@@](C)(OC(=O)CC(=O)O)CCC[C@]23C)C1 2356333093 NKRZOAWZBYVTMB-UPZYVNNASA-N 360.494 5.036 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCCO)C3)C[C@H](CCO)[C@H](C)[C@]2(C)[C@@H]2[C@H]1C2(C)C 2356367081 WBGLQINEGPNURX-KZWBTSIGSA-N 372.593 5.359 30 1 FKEF C=C(C)[C@@H]1CCC(C)=CCCC(C(=O)O)=CCCC(C)=C[C@H]1OC(C)=O 2356519964 UEZWBWGIEOHSAA-LEWJYISDSA-N 360.494 5.368 30 1 FKEF C=CC[C@H]1Oc2ccc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13493654 CYBZSWXWFMWSAP-MRXNPFEDSA-N 367.876 6.330 30 1 FKEF N#Cc1ccc(Nc2ccnc3ccc(-c4ccc(Cl)cc4)cc23)cc1 58512403 VBCUFNWLUJXTRM-UHFFFAOYSA-N 355.828 6.170 30 1 FKEF CCCCCCCCCCCCC/C=C/c1cccc(OC)c1C(=O)OC 58608582 QCNBPRFWTPPFAS-FBMGVBCBSA-N 374.565 7.196 30 1 FKEF C=CC[N+](C)(C)[C@H]1CC[C@H](c2ccc(CCCCCCCC)cc2)CC1 102930064 CNJJTYNXDOVEAH-PLQXJYEYSA-N 356.618 6.878 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)CC(C)(C)C)ccc1O 587899520 BZBSZDOOLPYCLU-UHFFFAOYSA-N 370.920 6.168 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1Oc1ccc(F)cc1 587916741 QESBOBSTGYHIDW-UHFFFAOYSA-N 352.792 5.680 30 1 FKEF N#Cc1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1C(F)(F)F 587951874 UUTUYTQCFCPBEE-UHFFFAOYSA-N 357.335 5.052 30 1 FKEF C=CCCCCC[C@@H](OC(C)=O)[C@@H](CC=CCC=CCC)OC(C)=O 2356484818 IYBHZAIQDKSHHC-NHCUHLMSSA-N 350.499 5.289 30 1 FKEF COc1ccc2sc(-c3ccc(SC)cc3)c(C#CC(C)(C)O)c2c1 36388671 WEKMTJHBLZQFSV-UHFFFAOYSA-N 368.523 5.421 30 3 FKEF C=C1CCCC/C1=C/C=C1\CCC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]12 43676713 FXKMDILIEQILCA-QDNPVEBNSA-N 368.649 8.648 30 1 FKEF O/C(=N\c1ccc(F)c(Cl)c1)c1csc([C@@H](O)C2CCCCC2)n1 82079129 FEAHSKQGFDEMJV-HNNXBMFYSA-N 368.861 5.186 30 1 FKEF COc1cc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3)C2=O)cc(OC)c1 95596019 YTJPZUZXESULTP-ODPUSEOTSA-N 368.860 5.577 30 1 FKEF Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2[C@@H](C)CCC[C@H]2C)c(C)c1 101828598 PXEOHFPZMACPBL-RNYIZADXSA-N 367.493 5.198 30 1 FKEF C[C@]12CC[C@H]3[C@@H](C(Cc4ccccc4)=CC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 118933948 VVDWEHROXAUWQZ-AEFDYNLKSA-N 374.524 5.476 30 1 FKEF CCCCCCCC/C(=C\C(=O)CCCCCCCC(=O)OC)OC 238737248 ZMUBBDGDFMAIMP-CZIZESTLSA-N 354.531 5.740 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1cccc(Cl)c1Cl 299833122 OHNXVULMEZLLQT-GFCCVEGCSA-N 365.281 6.002 30 1 FKEF C=CCc1cccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c12 587787269 UEUKZXJPMYZUMB-UHFFFAOYSA-N 356.425 5.340 30 1 FKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC(OC)OC 2356403107 ZLHIOIIUQWUZEK-PSSCGGISSA-N 366.542 5.275 30 1 FKEF CCCCCCCCCCOc1ccc(CCC(=O)C(F)(F)F)cc1 44387383 DJDSHOVBFZKIEK-UHFFFAOYSA-N 358.444 6.270 30 1 FKEF in-vivo O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1c(O)c2ccccc2oc1=O 1857655117 CVUUEWRUJNFRID-NTCAYCPXSA-N 368.388 5.062 30 1 FKEF C=CC[C@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC 13473232 LUEYTMPPCOCKBX-KTJODWGBSA-N 373.606 6.367 30 1 FKEF in-vitro O=C(O)CCCC#CC#CCCCCCCCCCCCc1ccco1 15221845 AZDANMRNWNLXOP-UHFFFAOYSA-N 356.506 5.985 30 1 FKEF biogenic,in-vitro CC[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1 28900946 TUQVPFOSCLENLF-RUZDIDTESA-N 354.497 5.795 30 1 FKEF CCCCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 43504608 WCQFXNQALHURHS-BUHFOSPRSA-N 360.538 6.380 30 1 FKEF biogenic,in-vitro CCCCCCCCn1c2ccccc2c2ccc(OCCNC=O)cc21 72106743 VXTOMGNCYHMCBK-UHFFFAOYSA-N 366.505 5.280 30 1 FKEF O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccc(-c4ccccc4)cc1)(C3)C2)NO 101666147 UYRAOYCLFKFZJH-RDNZODCXSA-N 361.485 5.087 30 1 FKEF C=CCc1cccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c12 587240359 CPQWMMBMGAKZPT-UHFFFAOYSA-N 368.484 5.901 30 1 FKEF C[C@]1(c2ccccc2N=[N+]=[N-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576891 QCXUEIKNPRHUHY-GHTZIAJQSA-N 373.368 5.211 30 1 FKEF N#Cc1cccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957819 WGNJQTCWSZOGDT-UHFFFAOYSA-N 355.482 5.353 30 1 FKEF CC(C)C(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356491792 PYHZLMFTKOTWGQ-IYDLXWBISA-N 358.522 5.086 30 1 FKEF C[C@@H](C=O)CCCCCC[C@@H](CCCC=CC(=O)O)C1CCCCC1 2356579475 DBJHMPRBVXWVSB-UXHICEINSA-N 350.543 6.170 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CCC(C)=CCCC(C)=CCC[C@@H](CO)CC1 2356596083 DVHRFHOKROCIPF-JWQCQUIFSA-N 358.610 7.541 30 1 FKEF C=CC[C@H](O)[C@@H](C)CCCC(C)=CCC(=CCl)Cc1ccc(O)cc1 2356797675 OHHGQMCXEQGHPS-AVRDEDQJSA-N 362.941 6.137 30 1 FKEF CC1=CC=C[C@H](C#N)[C@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 28458307 SLJJMUAVIJMROI-PTUXOGIPSA-N 352.481 5.178 30 1 FKEF COc1cc2cc(/C=C/C(=O)c3ccc(C)cc3)c(Cl)nc2cc1OC 34136866 AQLTUNWIAPDFKE-CMDGGOBGSA-N 367.832 5.110 30 1 FKEF CCCCCCCCCCCCCCNc1ccc(C(=O)OCC)cc1 43705904 DGGGBDLOUZPPQJ-UHFFFAOYSA-N 361.570 6.976 30 1 FKEF C=C1CC([C@]2(C3CC3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)C1 962649523 XGZWZBNZOGSPEW-AOYPEHQESA-N 370.540 5.005 30 1 FKEF C[C@@H](C=NO)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@@]21C 2356304499 LPFFRMGUWCHBIL-YBQWHCOOSA-N 358.526 5.492 30 1 FKEF C=C[C@](C)(CCC=C(C)Cc1cc(C)co1)CC(=O)c1ccc(O)cc1O 2356578281 LWGOWLLEFFBWEM-HSZRJFAPSA-N 368.473 5.734 30 1 FKEF CC=C1C(=O)C[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)C=C[C@@]45C[C@]35CC[C@]12C 2356614081 HKEBEMMDBQANKW-OOCSGFKSSA-N 367.577 5.299 30 1 FKEF C=CCOc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587106731 NRGKDLWBHMRFDQ-UHFFFAOYSA-N 363.416 5.678 30 1 FKEF CC#CCCCCCCCc1nc2cc(C#N)cc(Br)c2[nH]1 587956893 LSHXROGLDUQVGE-UHFFFAOYSA-N 358.283 5.103 30 1 FKEF C=C1CCC=C(C)CC[C@@H]2C(=CCC=C(C)C)[C@H](OC)O[C@H](OC(C)=O)[C@H]12 2356386858 YWNFEGSZFPYUPC-ADHNFCLRSA-N 374.521 5.470 30 1 FKEF CCCCCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 36294762 IDICPTJZTJUWIB-SFTDATJTSA-N 366.545 6.519 30 1 FKEF CCCCCCCCCCC[C@@H](Cc1cc(O)cc(OC)c1)OC(C)=O 86002290 HJXXPBBKMUDUNH-NRFANRHFSA-N 364.526 5.796 30 1 FKEF biogenic CC[C@@H](C)CC[C@H](C[C@H]1O[C@]1(C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191568 CKTDKWGLYNYMOS-QERLCLQCSA-N 366.674 8.265 30 1 FKEF CCCCCCCO/N=C1\CCCCCCCCCCC(=O)NCC1 103207934 OELDSEBUVDVVNR-BSYVCWPDSA-N 352.563 5.750 30 1 FKEF COc1ccc(C=NNc2ccnc3cc(F)c(C)cc23)c2ccccc12 253682153 JSPHZLYBRIGZSL-UHFFFAOYSA-N 359.404 5.290 30 1 FKEF CC[C@H](C)C=CC=CC(=O)O[C@@H]1C=CC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@@H]1C 2356531010 OPSLYPDRADIUGV-SRWPTAKMSA-N 368.517 5.505 30 1 FKEF COc1ccccc1-c1sc2ccccc2c1C#CC1(O)CCCCC1 61969024 JIAVVLZCRKNSGR-UHFFFAOYSA-N 362.494 5.624 30 3 FKEF CCCCCCCCCCCCC/C=C1/CCC[C@@H](NCCCC)[C@@H]1O 43606365 BXGZWTIYTVZGOT-VHGMICAZSA-N 365.646 6.917 30 1 FKEF N#C[C@H](C(=N)Sc1ccc(N)cc1)c1cccc(Cc2ccccc2)c1 169717986 WOHHIDPNYOQTDF-NRFANRHFSA-N 357.482 5.236 30 1 FKEF C=CCc1cccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c12 587064851 IDIGXAPAEONMCO-UHFFFAOYSA-N 362.864 5.414 30 1 FKEF CCCCOc1ccc(C#Cc2cc(Cl)ccc2OC)c(F)c1F 587915417 QKAUSFHWPUDFIH-UHFFFAOYSA-N 350.792 5.206 30 1 FKEF CC(C)Nc1ccc2c(NC(C)C)c(C#N)c3nc4ccccc4n3c2c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c2ccc(-c3ccccc3)cc2)C(C)(C)CCC1 40900392 TVPXMACTYIKRNR-MTUSAYGMSA-N 356.509 7.019 30 1 FKEF Cc1cc(C)cc(Oc2nc(C)ccc2/C(=N/O)N(C)C2CCCCC2)c1 72185717 HMIAMXFCEUKPIQ-FLFQWRMESA-N 367.493 5.199 30 1 FKEF CC(C)c1cccc(Oc2cc(/C(=N/O)N3C[C@@H](C)C[C@@H](C)C3)ccn2)c1 72186599 LSHRDMJSAHOFSE-ZWLOYNKSSA-N 367.493 5.111 30 1 FKEF CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 103523919 WDMUMYYFMJODBR-SRIJWZPRSA-N 371.502 5.170 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)C[C@H]4[C@@H](C(C)=CC[C@@H]3[C@@H]12)[C@@H](O)C[C@H]4C 238738566 SASNKCWSBOFUJF-DRCWPKHJSA-N 356.594 6.385 30 1 FKEF O/N=C(/c1ccccc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 299856844 CHMQBARJOPYQOX-PNHLSOANSA-N 365.436 5.660 30 1 FKEF N#Cc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587071675 OMJKXEYTXVIZHP-UHFFFAOYSA-N 365.223 5.470 30 1 FKEF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC#N)CCc1ccc(OC)cc1 963241855 OBBRKKGVPALZKD-CYFREDJKSA-N 362.517 5.094 30 1 FKEF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC#N)CCc1ccc(OC)cc1 963241856 OBBRKKGVPALZKD-DVECYGJZSA-N 362.517 5.094 30 1 FKEF CCCCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12 1857542118 SNSWDMOWXQOYGD-UHFFFAOYSA-N 371.912 5.485 30 1 FKEF CCCCCCCC(C)=CC(C)=CC(=O)NCCc1c[nH]c2ccccc12 2356683888 FYPDAIJQUOZGTQ-UHFFFAOYSA-N 366.549 6.080 30 1 FKEF C=C1Cc2cc(C(=O)O)cc(O)c2O[C@H]1CC/C=C(/C)CCC=C(C)C 14658246 XBOKPWYVDNVFMX-WKSDAVQWSA-N 356.462 5.423 30 1 FKEF endogenous,in-man C=CC[C@](C)(N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 64436296 SIXOZLLJMVGYIE-OPKHLUCYSA-N 357.582 5.220 30 1 FKEF N#Cc1ccc(C(=O)N2CC[C@@H]3C[C@@H]2c2cc(-c4ccccc4)ccc23)cc1 102877012 RCGRMQNXSSTNCO-ZJSXRUAMSA-N 364.448 5.300 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2)c(C)c1 587901982 CVIHXLJEMJNGGW-UHFFFAOYSA-N 362.856 5.636 30 1 FKEF CCCCCCC[C@H](C(=O)OCC)[C@]1(C)NCCc2c1sc(C)c2C 963012908 RMQLXEFOJIANNM-NQIIRXRSSA-N 365.583 5.266 30 1 FKEF C=C1C=C2[C@]3(CC[C@H](CCc4ccccc4)C3)CC[C@H](C)[C@]2(C)[C@H]2[C@@H]1C2(C)C 2356498187 MECWLRVJWAMIJR-RIEMSKDUSA-N 374.612 7.610 30 1 FKEF C=C(C)[C@H]1CCC(C)=CCCC(C(=O)O)=CCCC(C)=C[C@@H]1OC(C)=O 2356519966 UEZWBWGIEOHSAA-RTWAWAEBSA-N 360.494 5.368 30 1 FKEF C=C(C)[C@@H]1CC2=C(C)C=C[C@]34C[C@H](C5(O)CCCC5)C[C@@H]3CC[C@H](C1)[C@]24C 2356545140 NFJOKXMTRSOFNT-NUCMZNAFSA-N 366.589 6.593 30 1 FKEF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@@H]2C[C@@H]3C(C)=CC(=O)[C@@H]3C(CO)=CC[C@@H]12 2356603417 CFKQOOWPLGFWHM-QSDFUNGDSA-N 354.534 5.261 30 1 FKEF CC1(C)C[C@](C)(C#N)N=C1/C=C1/CC(C)(C)C(/C=C2/OC(=N)CC2(C)C)=N1 31905791 AJVGWXNMFPWICK-ZAUZDLORSA-N 366.509 5.202 30 1 FKEF S=C(N/N=C/c1ccccc1-c1cccs1)Nc1ccc(Cl)cc1 40379916 GUWMIDBKAUGDCZ-UDWIEESQSA-N 371.918 5.389 30 1 FKEF C=CCCCCCCCCC1=NC[C@@H](c2ccc(Cl)cc2)CC(=O)O1 42887934 NIEQEXRZOCAVFN-SFHVURJKSA-N 361.913 6.076 30 1 FKEF CCCCCCCCCC[C@@H]1O[C@@H]1C/C=C\CCCCCCC(=O)O 44221572 CMJHJUSFUKWYHF-KNDQPGQGSA-N 352.559 6.656 30 1 FKEF C=CCOc1ccc2c(c1)CCc1ccccc1/C(CC)=C/2c1ccccc1 104933515 UVLCYGIRWXBXTG-SOYKGTTHSA-N 366.504 6.719 30 1 FKEF COc1ccc(C(=O)/C=C/c2cccc3cc[nH]c23)c2c1C=CC(C)(C)O2 169311448 UIOCPGLIDUHSGY-VQHVLOKHSA-N 359.425 5.257 30 1 FKEF C[C@@H](C#N)c1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587187447 HGBJQIDBPVFYBD-HNNXBMFYSA-N 351.409 5.088 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cc(-c2ccc(Cl)cc2)no1 587899726 IBKLSGZCQNWBBQ-UHFFFAOYSA-N 358.224 5.251 30 1 FKEF Cc1ccc(C(=O)/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587965321 JSQBLEWRAYDCQI-SEYXRHQNSA-N 369.424 5.142 30 1 FKEF CC(C)CN=C(N)c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1 1857538340 AAOMOETYTBLIGE-UHFFFAOYSA-N 353.853 5.042 30 1 FKEF CC#CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356455112 HHGLFNRDPUBPSI-OIVCHENJSA-N 368.561 5.155 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@](C)(CC(OC)OC)[C@H]2CCC(C)=O 2356758916 SFHOQLVZWUNZEX-DMPNSMEDSA-N 350.543 5.390 30 1 FKEF C=C(C)[C@@H]1CC[C@]2(C)CC(C34C=C[C@H]5CC[C@H](C=C3)C5(C)N4)=CC(C)=C2C1 2356775814 BXGIBPZRFLGZCR-FGDIFJNOSA-N 361.573 6.268 30 1 FKEF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC/C(S)=N/CCO 13760067 ILNDBHMZRTUWPU-DOFZRALJSA-N 363.611 6.453 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N[C@H](CC(C)C)C(=O)O 43397113 UEWVQOCQZFYTBW-HXUWFJFHSA-N 369.590 6.083 30 1 FKEF CCCCCC/C=C/CCCCCCCCCCCc1cc(O)cc(O)c1 86046857 IFIOXWORGZJDKV-BQYQJAHWSA-N 374.609 8.068 30 1 FKEF endogenous,in-man CCCCCCCCCCCCCC(=O)NC[C@@H](O)c1ccc(O)cc1 95574099 NXQPLWMLYJICBR-OAQYLSRUSA-N 363.542 5.243 30 1 FKEF CCCCCCCCCCCCCC(=O)NCC(=O)c1ccc(C)cc1 95576021 DVKDREDHMMQJNA-UHFFFAOYSA-N 359.554 5.995 30 1 FKEF CCCCCCCCCCCCCc1nc2cccc3c2c(c1C)CC3 587214283 RDNGPDBNCNAMRD-UHFFFAOYSA-N 351.578 7.495 30 1 FKEF O=C(/C=C\c1ccccc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629136 VZCZNOFLTYMXOW-SREVYHEPSA-N 367.729 5.875 30 1 FKEF C=CC(C)(C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587954390 SAYFVBFEEMQSBJ-UHFFFAOYSA-N 351.288 5.214 30 1 FKEF C=C1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356656610 VWKORDLHIGIYBW-BMRYZAIJSA-N 368.517 5.011 30 1 FKEF CC1(C)C(CCO)=CC(=O)[C@]2(C)[C@@]1(C)CC[C@]1(C)C(C)(C)CCC[C@]12C 2356739437 APUDWPZTWSYKLP-UEQSERJNSA-N 360.582 5.933 30 1 FKEF CCCCCCCCCc1nc2c3ccccc3ncc2n1CCCO 72176844 ZGBVJJCQMAVCMO-UHFFFAOYSA-N 353.510 5.260 30 1 FKEF C=C1C=C2[C@](C)([C@H]3[C@@H]1C3(C)C)[C@@H](C1CCCCC1)CC[C@@]21CCC[C@@H]1CO 85545237 FAESPSHBAAQWRG-JHEBBENHSA-N 368.605 6.530 30 1 FKEF biogenic,in-vitro C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](c4cccnc4)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 141098915 AGZOZNZGJNVQON-SJQXHAJCSA-N 361.529 5.719 30 1 FKEF C=CCN1[C@H]2CC[C@H]1CC(O[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 195291136 QSXQUGAVUQQEHB-QNWVGRARSA-N 367.920 5.627 30 1 FKEF N#Cc1c(-c2ccccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625659 LIDMRKKYBZDGAS-UHFFFAOYSA-N 372.243 5.883 30 1 FKEF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2CC[C@](C)(O)C[C@@H]2[C@H]2O[C@@]12C 2356395647 VKXPJJBZNMZKHN-WXYXHXKDSA-N 372.549 5.005 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC1=CC(=O)C(OCC)=CC1=O 2356794103 KXYBFLVVTOCOSE-LSUGYDDCSA-N 356.506 5.174 30 1 FKEF C=C1CC[C@H]2/C(=C/c3cccc(C(F)(F)F)c3)C(=O)O[C@@H]2[C@H]2C(=C)CC[C@@H]12 96939120 XKQAZHWVYJUCEG-JRVSZXKWSA-N 374.402 5.563 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc3cc[nH]c3c2)c2c1C=CC(C)(C)O2 169311447 CYSQXQDNZXJVFX-VMPITWQZSA-N 359.425 5.257 30 1 FKEF C=C1CC[C@@H](C(C)C)[C@]12CC=C(c1cn(-c3ccc(OC)cc3)nn1)CC2 299855996 BKWZZVQFXGUQOR-GMAHTHKFSA-N 363.505 5.452 30 1 FKEF CCCCCCCCCCCCCCCCc1c(O)cc(C)oc1=O 1857637814 MWOBLWAWMBBTRE-UHFFFAOYSA-N 350.543 6.678 30 1 FKEF COc1cccc(C2=C(c3cccc(OC)c3)c3cc(C)ccc3C2=O)c1 1857768074 BPCBTGGOHYVVEI-UHFFFAOYSA-N 356.421 5.168 30 1 FKEF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(/C(C)=N/OCCCC#N)cc1OC2(C)C 1857768414 BPUPSNATXJVJDE-WGCRICIGSA-N 368.477 5.047 30 1 FKEF C=CCc1cccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1O 103909188 UQMOGNFIAWUZJN-JOCHJYFZSA-N 374.484 5.992 30 1 FKEF CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc4ccccc4c3)c2O)O1 299821064 JMLGJDYWRHGHLO-DHZHZOJOSA-N 356.421 5.626 30 1 FKEF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c2)cc1 586880581 OLJCEDKJDJSABH-UHFFFAOYSA-N 372.815 5.020 30 1 FKEF O=C(/C=C/c1cccc(C(F)(F)F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280519 YULAUYCPSYISDF-QPJJXVBHSA-N 361.275 5.256 30 1 FKEF Cc1cc(Cl)cc2c(CC#N)c(-c3ccc(Br)cc3)[nH]c12 587623429 GLJYAESZPBREJL-UHFFFAOYSA-N 359.654 5.625 30 1 FKEF CCC[C@H](C)[C@]1([C@@H](C)CC)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963197987 UOQDRYGZMAWHJG-KZHJIPFUSA-N 374.572 6.487 30 1 FKEF CCCCSC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O 1857571976 JWJVSQSPSJHDRJ-XVMBXYQCSA-N 374.590 5.948 30 1 FKEF O=C(O)CCCC=CCCCCCCCCC#CC=CBr 2356391875 GLVCRWQIQQDOLB-UHFFFAOYSA-N 355.316 5.830 30 1 FKEF COc1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C 28569468 HSPWAQROMMFXAW-UHFFFAOYSA-N 370.412 5.059 30 1 FKEF COc1ccc(C(=O)/C=C/c2ccc(-c3cccs3)cc2)cc1OC 29318842 AJJXVPCNPXJWDR-YRNVUSSQSA-N 350.439 5.328 30 1 FKEF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 33820845 DDCGTOQHGMZSFW-OPTMKGCMSA-N 372.549 5.491 30 1 FKEF N#Cc1sc(=S)n(CCc2ccccc2)c1/N=C/c1ccc(F)cc1 96914005 NCVUFKVLEAXHCS-LPYMAVHISA-N 367.474 5.283 30 1 FKEF CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)C(C)=C3O)cc2)s1 101128174 APLFACQENWVHRX-LJQANCHMSA-N 358.484 5.024 30 1 FKEF CC(=O)O[C@@]1(C)CCC/C(C)=C/CC[C@@]2(C)O[C@@H]2C(=O)C(=C(C)C)CC1 103241575 QRIAHPSWAQTBHB-ZUBFFHLMSA-N 362.510 5.062 30 1 FKEF CCCCCCCCCCCCCCC[C@H](C)CCCc1ccccc1 139629013 HFHBDXFIWXNQLI-VWLOTQADSA-N 358.654 9.127 30 1 FKEF N#Cc1cccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587094640 GATGJDDIUHWHJE-UHFFFAOYSA-N 355.241 5.139 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C#N)cc3)c(C(=O)C(F)(F)F)c2c1 587639768 CGKSOQCZGAESSZ-LBPRGKRZSA-N 370.374 5.965 30 1 FKEF CC(C)CNc1c(C#N)c2nc3ccccc3n2c2c1sc1ccccc12 1772639224 SDLLNICLUNDHMQ-UHFFFAOYSA-N 370.481 5.795 30 1 FKEF C=C1[C@H]2CC[C@@](C(=O)CCc3ccccc3)([C@H]2OC)[C@@]1(C)C1CCCCC1 2356483629 RAUBJYHLZLPOKG-RVFVQDDPSA-N 366.545 5.756 30 1 FKEF CC#CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356560236 QIVWKKGISABDKH-ONTJHDAXSA-N 354.578 5.976 30 1 FKEF CCO/C(O)=C1/C(CC)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 18169716 YCBIFVXFTORZQF-SKQREZPOSA-N 359.853 5.101 30 1 FKEF CCCCCC/C(C)=N\Nc1nc(-c2ccc3ccccc3c2)cs1 169330798 BJDVFBRSKDBQHH-KQWNVCNZSA-N 351.519 6.722 30 1 FKEF C=CCc1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074627 BOLOBFUYMJYXET-LJQANCHMSA-N 351.881 5.282 30 1 FKEF Cc1cc(-c2[nH]c3cccc(F)c3c2C#N)c(C)n1-c1ccc(Cl)cc1 587633400 COLCRKSAZKKZQZ-UHFFFAOYSA-N 363.823 5.907 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(Br)c1Cl 587899680 FRAIPUSKMKBXJN-UHFFFAOYSA-N 356.046 5.164 30 1 FKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](OC(C)=O)C(C)=CC(=O)O 2356464359 HHYMHAFBPNXEIC-JZJXAQOMSA-N 362.510 5.138 30 1 FKEF COc1ccc(N/C(=C\C(=O)/C=C/C2=C(C)CCCC2(C)C)SC)cc1 28707638 GJUMNNFJGCXWLK-RMFULTEWSA-N 371.546 5.963 30 1 FKEF CCCCCCCCCCCOc1ccc(NC(=O)ON=C(C)C)cc1 49757466 QHLAYGNASDWVQD-UHFFFAOYSA-N 362.514 6.541 30 1 FKEF C[C@@H](SCc1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 586963909 RVYAFWQXYYPFSJ-LLVKDONJSA-N 361.392 5.448 30 1 FKEF CCCCCCCCCCCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587405239 KAXIQHCBXNNFHH-IBGZPJMESA-N 359.554 6.612 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(-c3ccccc3)n[nH]c2c1 587907856 VULIBCFXUPGAEU-UHFFFAOYSA-N 358.828 5.292 30 1 FKEF C=CCOc1c(OC)cccc1[C@H]1NCCc2cccc(-c3ccccc3)c21 962661968 BHLASBTVMKGTEQ-XMMPIXPASA-N 371.480 5.162 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc(C)oc12 1857568427 SJQFXCZVLXXCPH-APQCTARYSA-N 353.506 6.183 30 1 FKEF CC(=O)N(O)[C@H](C)c1ccc(Oc2ccc3c(c2)Cc2ccccc2-3)cc1 26145118 DLOVDSOVVJUWDH-OAHLLOKOSA-N 359.425 5.349 30 1 FKEF CCCCCCCCCCCC[S@@](=O)C1=CC(=O)c2ccccc2C1=O 95586540 XVDFDLYQHVNNMK-SANMLTNESA-N 374.546 5.619 30 1 FKEF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12CC(=O)O[C@H](C=CC1=O)C2 138681245 PEOSCKIZDYJJSE-RCIMUZKGSA-N 356.506 5.627 30 1 FKEF biogenic,in-vitro N#Cc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587014941 APQBYFDGUGRIGC-UHFFFAOYSA-N 371.252 5.532 30 1 FKEF Cc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1F 587095447 ZGIQDAMQSKODCN-UHFFFAOYSA-N 362.248 5.715 30 1 FKEF C[C@H](C#N)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622387 MGGCANNSODUEPC-SNVBAGLBSA-N 365.234 5.101 30 1 FKEF CCCCCCCCC[C@@]1(c2ccccn2)NCCc2ccc(O)cc21 963352620 MPFHJUPPOAXSSI-HSZRJFAPSA-N 352.522 5.317 30 1 FKEF CCCCCCCCC=CCCCCCCCCCC[C@H](O)C(=O)O 2356424567 VZMAFALCHHMPNA-NRFANRHFSA-N 354.575 6.640 30 1 FKEF CCCCCCCCCCCCCC=CCCC=C[C@H](O)[C@@H](N)CO 2356517443 KHMOVAZCVMSUTQ-VXKWHMMOSA-N 353.591 5.261 30 1 FKEF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C(=O)CCC(=O)OC 28333686 ZPJHODWSRLLADG-JDPCYWKWSA-N 370.533 6.206 30 1 FKEF O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)c1ccc3ccccc3c1N2 40913750 CUFSOEZCJUIHDB-NRFANRHFSA-N 359.856 6.058 30 1 FKEF CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CC)[C@@H]2C1 100736932 GTJDKKGEHMPRJD-IFMALSPDSA-N 358.526 5.174 30 1 FKEF CCCCCCCCCCCCCCCCCc1oc(=O)cc(O)c1C 223078234 OQUNSAJGPYUYHA-UHFFFAOYSA-N 364.570 7.068 30 1 FKEF in-vitro Cc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1C(F)(F)F 587094789 HMNCICFLCQBLFU-UHFFFAOYSA-N 362.248 5.037 30 1 FKEF COc1ccc(Cl)cc1C#CCc1ccc(C(F)(F)F)c(F)c1F 587914029 TVLSWPNSTMLKDN-UHFFFAOYSA-N 360.709 5.240 30 1 FKEF C=CCc1[nH]c2c(OCc3ccccc3)cc(N(CC=C)C(C)=O)cc2c1C 1655815 YGEJLFWWCCVNTB-UHFFFAOYSA-N 374.484 5.323 30 1 FKEF CCCCCCCCCCC(C)(C)C(=O)Nc1c(F)cc(F)cc1F 36349613 SGUDXPRVXINQKR-UHFFFAOYSA-N 357.460 6.599 30 1 FKEF C=CCc1c(Nc2ccc(C(=O)O)cc2)nc(-c2ccccc2)nc1C(C)C 71281439 VCXNFBIOGNEURL-UHFFFAOYSA-N 373.456 5.437 30 1 FKEF C=C[C@H]1CN(CCCCC)CC[C@H]1CCC(=O)c1ccnc2ccccc12 84672189 ANSINOAZEDRIJK-VQTJNVASSA-N 364.533 5.512 30 1 FKEF CCCCCCCCCCCCCCO[P@](=O)(O)CCCN=[N+]=[N-] 98208012 VPIQHARZTFLBCM-UHFFFAOYSA-N 361.467 6.590 30 1 FKEF in-vitro Fc1c(Cl)cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1F 586900628 CIDBKEBKFGYWIU-UHFFFAOYSA-N 354.743 5.154 30 1 FKEF C=CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587509558 VASNCANWIFUVKH-NRFANRHFSA-N 368.860 5.490 30 1 FKEF COc1ccc(Cl)cc1C#Cc1c(-c2ccccc2)n(C)c2ccccc12 587911132 JWDPELNPRBUWAS-UHFFFAOYSA-N 371.867 5.907 30 1 FKEF C=C1CC[C@H]2[C@@](C)(C(=O)OCC)CCC[C@]2(C)[C@H]1CC[C@H](C)CCO 653720489 NBHREWAOBCBYTH-AMUINCDKSA-N 350.543 5.127 30 1 FKEF O=C[C@@H](SCc1ccccc1)[C@H]1NCCc2cccc(-c3ccccc3)c21 962659907 BDIZAUOTWRVUJH-ISKFKSNPSA-N 373.521 5.041 30 1 FKEF CCC(=NO)c1cc2c(cc1C(C)C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 1772597692 CQDZSAPIAOKRJQ-YMPZKCBVSA-N 371.521 5.493 30 1 FKEF CCCCCCCCCCCCCCCC=C1C(=O)O[C@@](C)(O)[C@@H]1O 2356511724 NFTRQOSKSNZQCQ-TZIWHRDSSA-N 354.531 5.020 30 1 FKEF CC=C(C)C(=O)O[C@@H](C)C[C@@H]1CCN(C(=O)CCCCCCCCC)C1 2356569501 YPZRRRFUIPYEJJ-PMACEKPBSA-N 365.558 5.264 30 1 FKEF CCCCCCC=CC[C@H](CCCCC)CC[C@@H](CCN)CCC(=O)O 2356745848 AHYZOUABZXHJSR-FCHUYYIVSA-N 367.618 6.710 30 1 FKEF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(C/C=C/CCCC#N)cc1OC2(C)C 27754016 PIWZORIYICBPSG-VUTZTEFLSA-N 351.490 5.796 30 1 FKEF C=CCC[C@H](C)C(=O)[C@H](C)C[C@H](C)NC(=O)CCC/C(=C/Cl)CCC 49033680 MTSIKQYOKFAJKC-RNVXLZBRSA-N 369.977 5.782 30 1 FKEF Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccccc1 64526873 AVYBCYRRFQEUDS-KPKJPENVSA-N 354.862 5.745 30 1 FKEF CCCCCCC[C@@](O)(c1cc(F)cc(F)c1)c1cccc(Cl)c1 84672350 BZVARAKISXPHMR-FQEVSTJZSA-N 352.852 6.215 30 1 FKEF CCCc1c(O)ccc2c1O[C@@](C[C@H](C)C#N)(c1cccc(C)c1)CC2=O 587467126 CQEDFSQZTIVEDA-QMHKHESXSA-N 363.457 5.064 30 1 FKEF C[C@H](C=O)CCCCCC[C@@H](C=Cc1ccccc1)CCCC=CC(=O)O 2356354817 QLLUYCSALJRPQW-FCHUYYIVSA-N 370.533 6.303 30 1 FKEF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@H]1CCC2=NC1CCCCC1 2356731034 UBVDQPPYMIRBTH-KHBKYSNQSA-N 355.610 7.193 30 1 FKEF CCCCCCCCN1CCC2(CC1)O[C@H](CCCF)c1ccccc12 49695511 ZWCDRAZLDQFJFS-JOCHJYFZSA-N 361.545 6.159 30 1 FKEF CCCCCCCCCNc1c2c(nc3ccc(OC)cc13)CCCC2 64548732 CMKNYPAMAODIKM-UHFFFAOYSA-N 354.538 6.285 30 1 FKEF in-vivo CCCCCCCCCCCCCCCCCCCOC[C@H](O)CO 85479810 KIACEDHAENTMQK-JOCHJYFZSA-N 358.607 6.008 30 1 FKEF biogenic CCC[C@]1(c2ccccc2)CC(=O)C([C@H](CC)c2ccccc2)=C(O)O1 100785291 JNRIREMZPAHGTJ-AUSIDOKSSA-N 350.458 5.635 30 1 FKEF CCC[C@@H]1C[C@@]2(CC[C@H]3C[C@@H]2C3(C)C)OC2=C1C(=O)C(C)(C)C(=O)C2(C)C 299829594 HRXSXWWZDQGJRG-QLNPMQNBSA-N 372.549 5.476 30 1 FKEF CCCCCCC[C@H](C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)SC 587532049 KOIYQIZODSYQCZ-RBUKOAKNSA-N 374.590 6.381 30 1 FKEF CCCCCCCCn1ccc2cc(OCCCN3CCCCC3)ccc21 1857632273 FKGMNKHEWKXVOD-UHFFFAOYSA-N 370.581 6.257 30 1 FKEF CCCCCCCC[C@@H](CCCC=CC(=O)O)Cc1cccc(C#N)c1 2356396947 BADPUGUHZNXNLE-FQEVSTJZSA-N 355.522 6.279 30 1 FKEF C=C(C)C[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29410622 FHLKKLFFTNPJKR-FQEVSTJZSA-N 361.485 6.369 30 1 FKEF COc1ccc(-c2cncc(C#N)c2Nc2cccc(Cl)c2)cc1OC 40954636 RNUFKODPSCMDIU-UHFFFAOYSA-N 365.820 5.034 30 1 FKEF C=C(C)[C@@H]1CC[C@@]2(C)CC(CN[C@@]3(C)CCC4(CCCC4)C3)=CC(C)=C2C1 85550189 FRBUDINKNCDAJQ-VJTSUQJLSA-N 367.621 7.108 30 1 FKEF biogenic,in-vitro C=CCn1c(O)c(/N=N/C(=S)Nc2ccc(OC)cc2)c2ccccc21 101697966 PXEBMCUAKGLGMG-QURGRASLSA-N 366.446 5.022 30 1 FKEF CC(C)=CCC[C@@H](C)C1=C(Nc2ccccc2Cl)C(=O)C(C)=C(O)C1=O 102976812 AIEDBJJELYIKQG-CYBMUJFWSA-N 373.880 5.372 30 1 FKEF C[C@H]1C[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 141108534 UHGHCTMMNLVNEP-QXHKIIHHSA-N 361.529 5.853 30 1 FKEF N#Cc1ccc(-c2csc(-c3ccc(OCc4ccccc4)cc3)n2)cc1 587921590 IWBPHOZSHIJOLU-UHFFFAOYSA-N 368.461 5.928 30 1 FKEF C=CC(C)(C)c1c(OC)cc(C(C)=CC=Cc2[nH]ccc2Cl)oc1=O 2356576011 KMCWFIGQAAUEOM-UHFFFAOYSA-N 359.853 5.210 30 1 FKEF C=C(CC[C@H]1[C@@H](C)CCCC1(C)C)C(=O)Cc1c(O)cc(C)c(C=O)c1O 66079452 ZDEDZFRJQXNDJU-LIRRHRJNSA-N 372.505 5.129 30 1 FKEF Cc1ccc(NC(=O)Nc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 73157876 PZJNLHHWDZQNOQ-LFIBNONCSA-N 356.425 5.535 30 1 FKEF CCCCCCC/C=C\CCCCCCCCC(=O)c1c(O)cccc1O 85612523 VHMZGZKMDPSEMV-HJWRWDBZSA-N 374.565 7.318 30 1 FKEF C[C@]12CC[C@@H]3[C@H](C[C@H](c4ccccc4)C4=CC(=O)CC[C@]43C)[C@H]1CCC2=O 253635429 LVJHBULIPHDPOH-BOUDZANMSA-N 362.513 5.481 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Nc2cccc(C#N)c2)cc1 587906328 AKJMHNFEOVFJPV-UHFFFAOYSA-N 358.828 5.364 30 1 FKEF C=C(CCC=C(C)C)[C@H]1CC=C(C(=O)O)CCC=C(C)CCC=C(C)CC1 2356607617 XDZVNBMUIGWTCQ-HSZRJFAPSA-N 370.577 7.553 30 1 FKEF CCCC/N=C(S)\N=N\c1c(O)n(Cc2ccccc2)c2ccccc12 8685569 FZBZHBLLUMCJPL-GHVJWSGMSA-N 366.490 5.565 30 1 FKEF CC(C)=CCC[C@]1(C)O[C@H]1Cc1c(O)ccc2c1[nH]c1cc(O)c(C)cc12 15206017 UYTBVHGZBBQOOF-GMAHTHKFSA-N 365.473 5.487 30 1 FKEF biogenic CC(=O)O[C@H]1c2oc(cc2C(C)C)[C@@H](C)CC/C=C(\C)CC[C@@H]2O[C@]21C 29042171 MVULDMBCESYPJZ-MZRAHCNJSA-N 360.494 5.789 30 1 FKEF Cc1ccccc1/N=C/c1cc(=O)oc2cc3oc4ccccc4c3cc12 38224269 HNUPYHWDMSFDOY-ZMOGYAJESA-N 353.377 5.751 30 1 FKEF Fc1ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 45299037 JUVFUOUQDYQAQS-DNTJNYDQSA-N 366.248 5.702 30 1 FKEF C=C1C=C2[C@@](C)([C@@H](C)CC[C@@]23CC[C@@H](CCc2ccccc2)C3)[C@H]2[C@@H]1C2(C)C 85545309 MECWLRVJWAMIJR-MPRNKZRESA-N 374.612 7.610 30 1 FKEF biogenic,in-vitro CON=C1[C@H]2CC(C)C[C@H]1[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 169322390 SMZOFVGUOFNQSQ-DJLNSYSYSA-N 370.443 5.015 30 1 FKEF N#Cc1ccc(-c2csc(/N=N/Cc3cccc4ccccc34)n2)cc1 169728139 SCXSWJDMTCGKLA-WJTDDFOZSA-N 354.438 6.119 30 1 FKEF C[C@@H](CC#N)[C@@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502021 HUVDYAQENNATFA-NPMXOYFQSA-N 363.432 5.115 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(-c2cnc3ccccc3n2)cc1 587906614 NWHXHNQLLYMJBK-UHFFFAOYSA-N 370.839 5.359 30 1 FKEF CC(C)=CCC[C@]1(C=O)[C@H]2CC=C(C)CCC=C(C)CC[C@H]1[C@@]1(CC2)CO1 2356626558 CFTIGVMTUOJNLU-FQUZAXHOSA-N 370.577 6.570 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1c(O)c(O)cc2nc(C)oc12 2356793971 HQVKBFVHTCPCPN-CIRVYTKBSA-N 369.505 5.889 30 1 FKEF C[C@H]1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2[C@@](C)(c2ccccc2)O1 13439591 JIXOXKZNTPAKSI-NPMXOYFQSA-N 358.416 5.416 30 1 FKEF C=C[C@@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(/C=C/C=C/C(=O)O)CCC[C@@]23C)C1 27101376 KNBVTHPKILKUNJ-YOBBXPMDSA-N 354.534 6.319 30 1 FKEF Cc1ccc(S/C(=C/c2ccc[nH]2)C(=O)c2ccc(Cl)cc2)cc1 64532219 GIAAUCRGWHNYAP-CPNJWEJPSA-N 353.874 5.993 30 1 FKEF CCCCCCCCCCn1cc(-c2nc3ccccc3cc2C)nn1 95592108 BTXVYCLOYAOSDI-UHFFFAOYSA-N 350.510 5.942 30 1 FKEF CCCO/N=C(\c1ccon1)c1ccccc1COc1cc(C)ccc1C 103281239 QZYKIMFWEWBOGI-GYHWCHFESA-N 364.445 5.049 30 1 FKEF Fc1c(/N=N/Nc2cccc(C(F)(F)F)c2F)cccc1C(F)(F)F 169312063 OKNMHLWEONKRLN-UHFFFAOYSA-N 369.215 6.113 30 1 FKEF CCC/C=C/C(=O)CCCCCCCc1cc(=O)c2ccccc2n1C 210762360 HIWITXHMTRALHA-RIYZIHGNSA-N 353.506 5.347 30 1 FKEF CC(C)[C@@H]1CC[C@@]2(C)CCC[C@H](C=O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 238756396 NLJASCRUZYABSR-WKHDDYHOSA-N 368.517 5.299 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2nc(-c3ccccc3)cn2c1 587912240 DFXJIYXZGLGCSG-UHFFFAOYSA-N 358.828 5.063 30 1 FKEF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)c(C#N)c2)n1 653767997 YTDNTSVHHWAMFL-HXUWFJFHSA-N 374.875 5.467 30 1 FKEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@H]12 2356677128 IIZXOWSEQGPRRJ-AYVPJYCDSA-N 368.517 5.746 30 1 FKEF CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356744947 RACRSWIMRBVETP-KNNWPQOTSA-N 370.533 5.396 30 1 FKEF C=C[C@@H]1OC(c2ccc(-c3ccccc3)cc2)=N[C@H]1Sc1ccccc1 28390474 HDSODEHQNNGCDW-GMAHTHKFSA-N 357.478 5.803 30 1 FKEF CCCCCCCCCCCCC/C=C1/CCC[C@H](O)[C@H]1NCCN 43617291 GPJGUKGMMXCUOH-UDONWXPHSA-N 352.607 5.076 30 1 FKEF C=CC[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 45253201 FBQILQSOCPDASN-ACIOBRDBSA-N 366.480 5.220 30 1 FKEF Cc1ccc(/C(=N/O)Nc2ccccc2)c(Oc2ccc3ccccc3c2)n1 72183952 ZZWYGZSVSGRODQ-UHFFFAOYSA-N 369.424 5.583 30 1 FKEF O=CCN1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc2ccccc2c1 103168340 LMOGIGLGOOAIRI-RUZDIDTESA-N 364.448 5.343 30 1 FKEF CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)s1 104082104 RMYRSPAHEZDRJP-CQGUWYRNSA-N 359.491 5.064 30 1 FKEF COc1ccc(C(=O)/C=C/c2cccc3[nH]ccc23)c2c1C=CC(C)(C)O2 169311444 AJEYBUYUATYXLW-VQHVLOKHSA-N 359.425 5.257 30 1 FKEF C=C[C@H]1CSC(C[C@H](C)[C@H](C)C[C@@H](C)CCN(C)C(=O)[C@@H](C)CC)=N1 238736155 PHYRFZDJEDWWKT-OYSTVDSJSA-N 366.615 5.269 30 1 FKEF CCCCCCCCCCCCCCCC(=O)N/C=C/c1ccc(O)cc1 238751961 USDGPNWPYCDHSB-QZQOTICOSA-N 373.581 6.960 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(-c3cc(C)n(CC(F)(F)F)c3C)c(C#N)c2c1 587642700 UYERCGVDZIKFKV-LBPRGKRZSA-N 373.422 6.201 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc(Cl)c2nc(Cl)ccc12 587910938 AFMNLXAUSUCKES-UHFFFAOYSA-N 362.643 5.603 30 1 FKEF COc1cccc([C@@H]2c3cccn3-c3ccccc3N2/C=N/C(C)(C)C)c1 206054048 IBKJZRAUYKVZJN-ZHNJOBQTSA-N 359.473 5.222 30 3 FKEF O=C(O)CCCC#CCCCCCCCCCCCCCc1ccco1 15221848 ONOHKAVRSPRSMW-UHFFFAOYSA-N 360.538 6.762 30 1 FKEF biogenic COc1cccc(OCCC(C)(C)C)c1C(=O)/C=C/c1ccc(O)cc1 169353928 FZIHOGAGTSZGSY-JLHYYAGUSA-N 354.446 5.112 30 1 FKEF C=CCc1cccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 586973955 SIEJJEBABMKHPD-UHFFFAOYSA-N 367.474 5.615 30 1 FKEF Cc1ccc(-c2nc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c(C)s2)cc1 587013431 OKLIJYYEGWRBGK-UHFFFAOYSA-N 364.861 5.495 30 1 FKEF CCc1cc2ccc(C#Cc3cc(Cl)ccc3OC)cc2nc1Cl 587907181 FVJNKXYGHSVWCP-UHFFFAOYSA-N 356.252 5.512 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Br)c2cccnc2c1 587910949 ATKHXNADKPWSLE-UHFFFAOYSA-N 372.649 5.059 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cc(Br)c(Cl)cc1F 587915124 JAZKUSOQSRITRD-UHFFFAOYSA-N 374.036 5.303 30 1 FKEF Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/OCc2ccccc2)cc1 653688022 VFJFEYWEBXHYDO-PCLIKHOPSA-N 367.452 5.398 30 1 FKEF CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccccc3Cl)ccc21 1857749147 UULAEOVZJFNXBO-WYMLVPIESA-N 359.856 6.364 30 1 FKEF C#C[C@@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C 39331745 PWZUUYSISTUNDW-WJGLBBAVSA-N 364.529 5.228 30 1 FKEF Clc1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1 64540196 BODDPAWENHOWEP-BUVRLJJBSA-N 372.859 5.320 30 1 FKEF C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@H]13 96902401 RGADTGZXHGYDQJ-PBZYUINNSA-N 353.550 5.053 30 1 FKEF O=C(/C=C/c1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)oc1=O 98082226 FEQRAKTXSNFWHG-YRNVUSSQSA-N 360.796 5.496 30 1 FKEF CC/C(=N\Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccco2)oc1O 101849257 APLGJQHPGDVEFW-DEDYPNTBSA-N 365.216 5.346 30 1 FKEF C=C1CCCC(C)(C)[C@H]1CC[C@@H]1C=Cc2c(cc(C)c(C(=O)O)c2O)O1 238739933 STQDERKIAALZBL-RDJZCZTQSA-N 356.462 5.336 30 1 FKEF CCCCCCCCCCCCCc1nc2nc(O)nc(O)c2cc1C 587562141 ZPRRBOIZRUWEEP-UHFFFAOYSA-N 359.514 5.598 30 1 FKEF CC(=O)c1ccc(-c2cc(-c3nc4cccc(C#N)c4[nH]3)ccc2F)cc1 587139768 VPYGZAWKEYXORV-UHFFFAOYSA-N 355.372 5.110 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccccc1-c1ccccc1N(C)C 587901859 XESQVWMIBVSERU-UHFFFAOYSA-N 361.872 5.481 30 1 FKEF C=C1CC[C@@H]2C(C)=CC[C@@H]3[C@H]([C@H](C)CCC=C(C)CO)CC[C@]3(C)C[C@H]12 2356519191 RMOFCIYZKYVKBR-UJDYKWCVSA-N 356.594 6.696 30 1 FKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(OC(C)=O)ccc1O 34434592 DGNYBWKDKZPJTB-RAKGIWIYSA-N 356.506 5.659 30 1 FKEF biogenic CCCCCCCN(CCCCCCC)C(=O)Nc1ccc(C)cc1C 43261132 ZXTVIGMUOUZQCR-UHFFFAOYSA-N 360.586 7.078 30 1 FKEF CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2ccnn2C)ccc1C 1857608245 YPFOQKFALYCSJJ-UHFFFAOYSA-N 350.853 5.079 30 1 FKEF CCCCCCCCCCCCCC=CCCC=C[C@@H](O)[C@@H](N)CO 2356517441 KHMOVAZCVMSUTQ-FCHUYYIVSA-N 353.591 5.261 30 1 FKEF C=C([C@H]1CCCCC12CCCC2)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@](C)(O)[C@H]2C1 2356769332 BJIYTQALWHFTJM-NENAYYCWSA-N 360.582 5.622 30 1 FKEF N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(-c2ccccc2)c1 28256486 RMXCVAFRLLKAJD-UHFFFAOYSA-N 351.409 5.262 30 1 FKEF COc1c(C(C)(C)C)cc(/C=N/OC(=O)c2ccccc2)cc1C(C)(C)C 40810754 PCVGSGGPBYEMJY-BUVRLJJBSA-N 367.489 5.481 30 1 FKEF CCCCCCCN1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O 44220807 MXIGDYKENROXNA-FQEVSTJZSA-N 350.462 5.167 30 1 FKEF Cc1nc(Nc2ccccc2)sc1C(=O)/C=C/c1ccc(Cl)cc1 64750420 YOGRYPOFMNVBFS-FMIVXFBMSA-N 354.862 5.745 30 1 FKEF C=C1CCC[C@@]2(C)[C@H]1CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)ccc1O 238755283 MCWRSBQVRBILTP-GJYWDZNJSA-N 356.506 5.520 30 1 FKEF C/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C/CCC(C)C 587875588 YEGGZPROGFIQEM-CHHVJCJISA-N 352.305 5.038 30 1 FKEF CCn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(Cl)c3)ccc21 1857748401 PBYGICUXSJTESG-ACCUITESSA-N 359.856 6.364 30 1 FKEF C[C@@H](C=O)CCCCC[C@H](CCCCC=CC(=O)O)Cc1ccc(O)cc1 2356778754 DEJPFGMDFBDYBL-UXHICEINSA-N 374.521 5.538 30 1 FKEF O=C1C(=C2Sc3cc(Cl)ccc3C2=O)Sc2cc(Cl)ccc21 2356835073 KOAKDLSQLKOGDY-UHFFFAOYSA-N 365.262 5.482 30 1 FKEF Cc1c/c(=N/N=C/c2ccc(Cl)cc2)c2cc(C(F)(F)F)ccc2[nH]1 45191948 FKIBUAOCNHZRGD-AUEPDCJTSA-N 363.770 5.083 30 1 FKEF N#Cc1ccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n2c1 68198859 HOKOJWCQXBUVRG-UHFFFAOYSA-N 350.853 5.271 30 1 FKEF C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/COC(C)=O 238756078 HSANNLXBHKRHSH-IVTKDVNGSA-N 362.510 5.140 30 1 FKEF C=CCc1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914617 YUUPBPVDZPCBOZ-UHFFFAOYSA-N 370.408 5.060 30 1 FKEF C[C@H](C#N)C[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504110 MOVNLIHCBRTFKA-WNSKOXEYSA-N 363.432 5.115 30 1 FKEF CCCCCCCCCCCC[C@H]1Cc2cc3c(O)nc(O)nc3nc21 587562234 SPUMQJWKAOXZGK-HNNXBMFYSA-N 357.498 5.387 30 1 FKEF COc1ccc(Cl)cc1C#CCc1cccc(Oc2ccccc2F)c1 587916304 GUMVPASHEAJZBS-UHFFFAOYSA-N 366.819 5.874 30 1 FKEF CCC1CC(=Cc2ccc(OC)cc2)C(=O)C(=Cc2ccc(OC)cc2)C1 2356735358 QBBXWGXXNFIASD-UHFFFAOYSA-N 362.469 5.560 30 1 FKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(CCC/C=C/C(=O)O)CCC[C@@]23C)C1 27097992 RRWSYMHVTCDSNN-KNYAUIJFSA-N 370.577 6.933 30 1 FKEF COc1c2ccc(OC/C=C(\C)CC(=O)C=C(C)C)cc2nc2occc12 238766444 NMXNJAANVQVLGX-VIZOYTHASA-N 365.429 5.240 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc2c(ccn2Cc2ccccc2)c1 587908730 HRYKEWZLGSHIFI-UHFFFAOYSA-N 371.867 5.751 30 1 FKEF COc1ccc(N/C(=C\C(=O)c2ccccc2)c2ccccc2)cc1OC 199260722 BGAKBBCXNIOICK-SILNSSARSA-N 359.425 5.040 30 3 FKEF C[C@@]12CCC(=O)C=C1C=C(Cc1ccccc1)[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 58534878 VVDWEHROXAUWQZ-LSQOFAOZSA-N 374.524 5.476 30 1 FKEF C=C/C=C/C=C/CCCCCCCCCCC/C=C\CCCCCCCC 238742558 SFGKQTHNONYLAQ-OQLXNVRJSA-N 372.681 9.883 30 1 FKEF C[C@@H](C#N)c1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587187781 LDUKNMHAZCYOLP-INIZCTEOSA-N 353.425 5.436 30 1 FKEF CCCCCCC/C=C/C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525863 SHCCIHHQIQECEV-LUFJGRFYSA-N 354.534 6.596 30 1 FKEF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(F)=C(F)F 587625945 NPGMOFCJQZNUMH-UHFFFAOYSA-N 361.207 6.134 30 1 FKEF CCOc1ccc(-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1 587906559 KYNHPCIYMBENFA-UHFFFAOYSA-N 362.856 5.814 30 1 FKEF N#CC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12 1857571649 PMZLTHVRZXUXAI-LJQANCHMSA-N 356.856 6.534 30 1 FKEF CCOc1ccc2c(c1)C=C/C(=C\C=C1/C=C(C)c3cccnc3C1=O)N2C 38178542 VWLPEJSPURQONM-FUJNXNNZSA-N 370.452 5.053 30 3 FKEF aggregator C=CCn1c(O)c(/N=N\C(S)=N\c2ccccc2F)c2ccccc21 13520690 DCQPEFSXZNSWHI-DQRAZIAOSA-N 354.410 5.373 30 1 FKEF C=CC[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21 28886495 MUJYAONABFULTQ-UHFFFAOYSA-N 359.946 5.595 30 1 FKEF C[C@H]1C[C@H]2[C@@H]3CC[C@H](c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 141061676 WTCAGIZCINZHDK-SJQXHAJCSA-N 363.545 5.943 30 1 FKEF CC(C)CCON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl 253651157 MBEWLCPCLCBJRX-UHFFFAOYSA-N 351.277 5.398 30 1 FKEF O=C1C[C@H](c2ccccc2)CC(O)=C1Sc1cccc(C(F)(F)F)c1 299834297 SBABYZUMYQLIQA-CYBMUJFWSA-N 364.388 5.714 30 1 FKEF COc1ccc(Cl)cc1C#Cc1cccc(CCC(=O)C(C)(C)C)c1 587904327 ISKBCYZXUKNSKH-UHFFFAOYSA-N 354.877 5.296 30 1 FKEF C=C1[C@H](C)CCC[C@]1(C)CC[C@@]1(C)C=Cc2c(O)c(O)cc(OC)c2O1 14589312 WMSMWNWYHIYDCT-KHIBUBOWSA-N 358.478 5.433 30 1 FKEF biogenic CCCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 43641153 ZIKWNEFOHAULPW-UHFFFAOYSA-N 354.538 6.170 30 1 FKEF Cc1cccc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)n1 45253422 GRQFLZIENAGPAG-UHFFFAOYSA-N 360.373 5.014 30 1 FKEF CCCCCCCCc1ccc(-n2cc(C3(O)CCCCC3)nn2)cc1 169339772 NNYFJZNBNZETJJ-UHFFFAOYSA-N 355.526 5.322 30 1 FKEF CC(=O)/C=C\C=C\C=C/C=C/C=C/C=C/C=C/C=C\C=C/C=C\CC(=O)O 238780648 BPKMPDBOJSCKEJ-FJZOKHLBSA-N 362.469 5.612 30 1 FKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(C#N)c2c1 587643819 XELUJBDYGAUGPS-QGZVFWFLSA-N 350.465 6.887 30 1 FKEF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](O)Cc2ccccc2)cc1 587905966 OKMFOTHXAQYNJX-QFIPXVFZSA-N 362.856 5.025 30 1 FKEF C=C1[C@H]2CC[C@@](C)(O)[C@@H]2C[C@@]2(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@H]2C[C@H]1O 2356805695 VJXQNKJJJZPJGN-FWTHZSSBSA-N 374.609 5.890 30 1 FKEF CC1=C(O)[C@](C)(Cc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)SC1=O 13553950 QGARMLQCHSHKGT-QHCPKHFHSA-N 366.526 6.058 30 1 FKEF CC(C)(C)c1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 49087808 LYWCKPLQOHZYOZ-WYMPLXKRSA-N 364.518 5.314 30 1 FKEF CCCCCCC[C@H](O)CCC[C@H](CCCCCCC(=O)O)C(C)=O 59902816 CTAWNNLCPLSSPB-PMACEKPBSA-N 356.547 5.509 30 1 FKEF Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3C2=C(O)c2ccccc23)cc1 101765584 BCGFJAJHHAQHQG-FQEVSTJZSA-N 369.464 5.507 30 1 FKEF CCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 103993705 OZGGAOMKTLNMDC-UQNFDQQLSA-N 353.462 5.002 30 1 FKEF CCCCCCCCC[C@@H](C)C[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444647 FJIUYEJIVUOKLJ-UXPWSPDFSA-N 358.522 5.978 30 1 FKEF CCCCCCCCC=CCCCCC[C@H]1Cc2cccc(O)c2C(=O)O1 2356426691 GCSUJEGOLAPNMD-NRFANRHFSA-N 372.549 6.731 30 1 FKEF CCCCCCC/C(=C\c1ccccc1)c1ccc(S(C)(=O)=O)cc1 36126981 XWFGDAXZUZIQCJ-DYTRJAOYSA-N 356.531 5.991 30 1 FKEF CC(=O)/C=C\C=C\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C=C\CC(=O)O 215857362 BPKMPDBOJSCKEJ-HCGFQNSSSA-N 362.469 5.612 30 1 FKEF C=CCc1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078479 SCJCEPVKUGVOCV-MRUHUIDDSA-N 361.876 5.771 30 1 FKEF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)/C=C/c3ccccc3)c2c1 587642459 SFRVKXBIFWUBQX-TZIYXEQSSA-N 371.402 6.596 30 1 FKEF CCCCCCCCCCCCCCCNC(=O)[C@@H](O)c1ccccc1 1772639297 BAWUCSRMKAXHIP-QFIPXVFZSA-N 361.570 5.927 30 1 FKEF CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CCCCC34CCCC4)s2)s1 2356777650 AWJJMOVEDQSGHL-QGZVFWFLSA-N 368.567 6.781 30 1 FKEF C=CCN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 13861974 QSXQUGAVUQQEHB-KORDQABASA-N 367.920 5.627 30 1 FKEF C=CCc1c(C)nc(-c2ccccc2)nc1/N=N/[C@H](C)c1ccc(N)cc1 169688059 QEWRDUPTZMKHFU-CBEZKNFISA-N 357.461 5.608 30 1 FKEF CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccccc1F)N[C@@H]2c1ccccc1F 253732045 DPBGDUIBZNSYMQ-SOMMWZSFSA-N 370.443 5.159 30 1 FKEF C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587190396 IIOSQQNMZHLCSQ-SECBINFHSA-N 365.742 5.247 30 1 FKEF C=C(C)[C@@H]1CC=C([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587823267 OUVWIFUZWVAAER-VPZZIHKRSA-N 364.302 5.466 30 1 FKEF Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/OCc2ccccc2)cc1 653705312 LONGQLWPACDLAV-MFKUBSTISA-N 371.415 5.229 30 1 FKEF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)CC3=C(C(=O)C[C@H]3C)C(CO)=CC[C@@H]12 1857636102 HLMAAMDTIQIBLV-ZODIDHNDSA-N 368.561 5.795 30 1 FKEF CCCCCCCCCCCCCCCC[C]1C=CC(C(=O)O)=CN1C 2356827494 UAHFPPIMPZKEAB-UHFFFAOYSA-N 362.578 6.860 30 1 FKEF CCCCCCCCc1ccc(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 72112232 GZGNNQRNQRQUEC-QNGOZBTKSA-N 351.494 5.620 30 1 FKEF CCCCCCCCCCCCCCCCCCCC[C@@H](C)CC(=O)O 111959776 MLBNWSYZPAYZIA-HSZRJFAPSA-N 368.646 8.529 30 1 FKEF biogenic CCCCCCCCCC1=C(O)C(=O)C(CCCCCCC)=C(O)C1=O 169336130 MUDLBVFRXHLMBS-UHFFFAOYSA-N 364.526 6.264 30 1 FKEF CCCCCCCCC[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973370 KPCOBBTVENYGJO-CVEARBPZSA-N 373.871 5.399 30 1 FKEF C[C@]1([C@H](C#N)c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963090125 IEMHXUHVSCBTGA-OPYAIIAOSA-N 354.856 5.022 30 1 FKEF N#Cc1c(/N=C/c2c3ccccc3nc3ccccc23)sc2c1CCC2 1857558522 AXYQGCIVQBOXBW-ZMOGYAJESA-N 353.450 5.560 30 1 FKEF C=C(CCC=C(C)C)[C@@H]1CC=C(CO)CCC=C(C)CCC=C(C)CC1 2356542815 AJSOCTGMVJYROT-VWLOTQADSA-N 356.594 7.461 30 1 FKEF C=C([C@@H]1CC[C@](C)(O)[C@@H]2CC[C@](C)(O)[C@H]2C1)[C@@H]1CCCCC12CCCC2 2356769333 BJIYTQALWHFTJM-PCEJQYDGSA-N 360.582 5.622 30 1 FKEF