smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC/C=C/C=C\C#C/C=C\C(=O)CC 238787505 SIDHDVNONVMCJP-ZVTHEYDNSA-N 188.270 3.048 30 1 AGEF C=C(C)/C=C\[C@H]1C[C@@H](C)CCCO1 14684770 RLBHQLPVVYXAQJ-MVSYMCDOSA-N 180.291 3.324 30 1 AGEF endogenous,in-man C=C(C)[C@H]1CC[C@@H](C)CC1 100888769 WPMKLOWQWIDOJN-MGCOHNPYSA-N 138.254 3.389 30 1 AGEF C=C(C/C=C/C)C(C)C 85947631 KKKHJDOOIQCWIL-AATRIKPKSA-N 124.227 3.165 30 1 AGEF endogenous,in-man C/C=C\C#CC#C/C=C\C=C\CCC 238762191 JPUYZYRCOVZLPY-AUARVVMUSA-N 184.282 3.482 30 1 AGEF C/C=C\C=N\CCCC/N=C\C=C\C 103523096 GWPFNFBITHRYML-ADVXRDHCSA-N 192.306 3.060 30 1 AGEF in-vitro CCCCCCC=C(C)CCO 2356426744 IIHSHWXQNLODTC-UHFFFAOYSA-N 170.296 3.286 30 1 AGEF CC=CC=CC(=O)c1ccccc1 2356524484 GHNBEBDYYSVNEK-UHFFFAOYSA-N 172.227 3.002 30 1 AGEF C=CC=C[C@H]1CCC[C@H]1C=C 2356822182 FSXHJKUSLWXELT-MNOVXSKESA-N 148.249 3.331 30 1 AGEF CCCCCC/C=C(\C)CC(=O)OC 238769767 CXVTVIXDXPUHGW-PKNBQFBNSA-N 198.306 3.466 30 1 AGEF C=C[C@@]1(C)CCC[C@H](C(=C)C)O1 2356768676 RGPDUZJTXGUAPI-MNOVXSKESA-N 166.264 3.076 30 1 AGEF CC(=O)C1=C[C@]2(C)[C@H](C)CCC[C@@H]2C1 2356596928 WKNLFMXMEHMEGH-OASPWFOLSA-N 192.302 3.348 30 1 AGEF C#CCOC/C=C(\C)CCC=C(C)C 28824362 NZWRILVCJIAXRF-UKTHLTGXSA-N 192.302 3.329 30 1 AGEF CCCCCCC=C(C)CC(=O)OC 2356736638 CXVTVIXDXPUHGW-UHFFFAOYSA-N 198.306 3.466 30 1 AGEF CCCCCCC=C[C@H]1CCC(=O)O1 2356479009 ADZMLQKJPQFTIS-NSHDSACASA-N 196.290 3.219 30 1 AGEF Cc1ccc(C[C@H](C)C#N)c(Cl)c1 1857587599 PXNNDOFSLPTIMP-VIFPVBQESA-N 193.677 3.351 30 1 AGEF C=C(C)c1cc2cc(OC)ccc2o1 135759340 JNEUPZYEPHSJNK-UHFFFAOYSA-N 188.226 3.475 30 1 AGEF C=C(C)C(=O)/C=C/C=C\c1ccccc1 73057678 YIIMSMXCURRONT-NAKBGQTNSA-N 198.265 3.401 30 1 AGEF C=C(CC=CC)C(C)C 2356486235 KKKHJDOOIQCWIL-UHFFFAOYSA-N 124.227 3.165 30 1 AGEF C=C(C)[C@H]1CCC(C)=C(OC(C)=O)C1 13304896 JHXHCWZOYQCWJN-NSHDSACASA-N 194.274 3.200 30 1 AGEF endogenous,in-man CC(C)CCN=Cc1ccccc1 2356874733 YYQKAYVYCNKNNT-UHFFFAOYSA-N 175.275 3.152 30 1 AGEF C=C[C@H]1CC=C[C@H]1/C=C/CC 85878769 BEUUCPGMRTUNSM-KKSDUGGKSA-N 148.249 3.331 30 1 AGEF CCC=CC[C@@H]1C(=O)C=C[C@@H]1CC 2356785286 SEYWTVHNOUUHHU-QWRGUYRKSA-N 178.275 3.124 30 1 AGEF CCCCCCC=CC=C[C@@H](C)N 2356392669 LNNSMFKRGGYANY-GFCCVEGCSA-N 181.323 3.416 30 1 AGEF C=C[C@H]1CC=CC[C@H]1C=CC 2356456118 SANYBOSKJINUDB-WDEREUQCSA-N 148.249 3.331 30 1 AGEF C=CCCCN1CCC[C@H](C)C1=S 1631795 WJPOKTWMHZMQLE-JTQLQIEISA-N 197.347 3.012 30 1 AGEF CC(/C=C/C=C/c1ccccc1)=N\O 14651937 GJVIAABVIGDQLQ-QSEZCERFSA-N 187.242 3.106 30 1 AGEF CCC=CCC1=C(C)C(=O)CC1 2356420580 GVONPEQEUQYVNH-UHFFFAOYSA-N 164.248 3.022 30 1 AGEF CCCCCCC=CCOC(=O)CC 2356587251 FFZSUDLXHLWPMI-UHFFFAOYSA-N 198.306 3.466 30 1 AGEF CCC=CC=CC#CC=CC(=O)CC 2356605081 SIDHDVNONVMCJP-UHFFFAOYSA-N 188.270 3.048 30 1 AGEF CCC(=N\O)/C(C)=C/c1ccsc1 43206173 CZLHDEMBLZTFGA-UMYLGFLZSA-N 195.287 3.392 30 1 AGEF in-vivo C/C=C\C#CC#C/C=C/C=C\CCC 238762201 JPUYZYRCOVZLPY-JCOWPQEYSA-N 184.282 3.482 30 1 AGEF C1#CCCCCCCCC1 64624318 BGMJEAAFHCTKBY-UHFFFAOYSA-N 136.238 3.124 30 1 AGEF in-vitro C=C1[C@H]2CCC(C)(C)[C@H]1[C@H](C=CC)O2 2356417248 VZNKGWCUZJXNCF-GRYCIOLGSA-N 192.302 3.322 30 1 AGEF C=CCCCCCCCCCNO 103259233 FXGAROSFXLWDJD-UHFFFAOYSA-N 185.311 3.272 30 1 AGEF C=C1[C@H]2O[C@@H](/C=C/C)[C@@H]1CCC2(C)C 238731763 AOANZJQNJMQQPK-NIJZVALHSA-N 192.302 3.322 30 1 AGEF C=C(C)C=C[C@H]1C[C@@H](C)CCCO1 2356486423 RLBHQLPVVYXAQJ-RYUDHWBXSA-N 180.291 3.324 30 1 AGEF C=CC(=C)CCC=C(C)COC(C)=O 2356650974 YGUUXLXMTKARJN-UHFFFAOYSA-N 194.274 3.018 30 1 AGEF CCCC=CCCCCC=O 2356284452 BHAHVSKDYRPNIR-UHFFFAOYSA-N 154.253 3.102 30 1 AGEF C=C[C@@H](C)C=CC=C(C)C 2356671827 MUEGHLPGQFZQBZ-SNVBAGLBSA-N 136.238 3.331 30 1 AGEF CC(/C=N/O)=C\c1ccc(Cl)cc1 45337114 BIRMMOKEXDRBDP-ULBORTECSA-N 195.649 3.203 30 1 AGEF CC/C=C\CC1=C(C)C(=O)CC1 38611148 GVONPEQEUQYVNH-PLNGDYQASA-N 164.248 3.022 30 1 AGEF endogenous,in-man CCCCCCC=CC=CCCO 2356730947 QXDRQDKWTDCHOZ-UHFFFAOYSA-N 182.307 3.452 30 1 AGEF CC=CC(=O)[C@H](C)C=C(C)C=CC 2356641396 OFWGUFXBLWMHQC-LLVKDONJSA-N 178.275 3.290 30 1 AGEF C=CC(C)=CC=CC(=C)C 2356567114 HPZWSJQQCJZBBG-UHFFFAOYSA-N 134.222 3.251 30 1 AGEF CC#Cc1ccc2ccccc2c1 73224462 ZGOSSPHYGCSKIJ-UHFFFAOYSA-N 166.223 3.211 30 1 AGEF C=C(C)C=C[C@@H](C)C(=C)C 2356543395 PSZBPDGPFVFTSW-SNVBAGLBSA-N 136.238 3.331 30 1 AGEF CC=CC#CC#CCC=CCCC 2356504237 IOGWYRJEVDCUSO-UHFFFAOYSA-N 172.271 3.316 30 1 AGEF C=CC=C[C@@H]1C(C)=CC(=O)CC1(C)C 2356484540 YKVWPZJHENXDAJ-GFCCVEGCSA-N 190.286 3.290 30 1 AGEF C=C(C)c1ccc(C)cc1OC 196073596 LDQHURFLDDRWGZ-UHFFFAOYSA-N 162.232 3.037 30 1 AGEF C=C[C@@H](C)C=CCC(=C)C 2356607437 UVDIEZOBRSTXFC-SNVBAGLBSA-N 136.238 3.331 30 1 AGEF CCC(=N\O)/C(C)=C/c1cccs1 49053506 IBGTZIUMMBHLKD-ZDVGBALWSA-N 195.287 3.392 30 1 AGEF in-vivo C/C=C\C=N/CCCC/N=C/C=C\C 263620483 GWPFNFBITHRYML-RLVUMYLBSA-N 192.306 3.060 30 1 AGEF in-vitro CC(=O)C=C(C)[C@H]1CC=C(C)CC1 2356475868 SSDLCRAPQKJETK-LBPRGKRZSA-N 178.275 3.268 30 1 AGEF CCCCC[C@@H](S)SC 95620494 RVLJKGCMYBJOLZ-ZETCQYMHSA-N 164.339 3.186 30 1 AGEF endogenous,in-man CC(C)[C@H]1CC[C@@H](C)C2=CC(=O)C[C@H]21 2356357588 SPUHUUUOQNMMPE-XWIASGKRSA-N 192.302 3.204 30 1 AGEF CCCCC/C=C/C(=O)SC 56871188 FCLRSLXQHQQACT-BQYQJAHWSA-N 172.293 3.013 30 1 AGEF C=C[C@H](C)/C=C/CC(=C)C 204980317 UVDIEZOBRSTXFC-PCGIRMHASA-N 136.238 3.331 30 1 AGEF C=C/C=C\C#Cc1ccc(C#CC)s1 206724711 BTXGXNRHWLHJBS-WAYWQWQTSA-N 198.290 3.213 30 1 AGEF C=C(C)[C@H]1C=C(C)CCC1 71404510 UXZIDIYMFIBDKT-SNVBAGLBSA-N 136.238 3.309 30 1 AGEF C=C(C)C=Cc1occc1C 2356618872 MOVHCBLRKLLLQI-UHFFFAOYSA-N 148.205 3.177 30 1 AGEF C/C=C\C=N\CCCC/N=C/C=C/C 58632954 GWPFNFBITHRYML-GLXJLBDYSA-N 192.306 3.060 30 1 AGEF in-vitro C=CC(C)(C)c1nc2ccccc2[nH]1 587955050 IZNNOQVIIZJDFX-UHFFFAOYSA-N 186.258 3.027 30 1 AGEF C=CC=C[C@H]1CCC[C@@H]1C=C 2356822183 FSXHJKUSLWXELT-QWRGUYRKSA-N 148.249 3.331 30 1 AGEF CCCCCC(=O)CCCCC#N 14620356 HYBJBEYLONUREC-UHFFFAOYSA-N 181.279 3.220 30 1 AGEF C=CC#Cc1ccc(C#CC=CC)s1 2356564931 IYPUSHHAQOAKMQ-UHFFFAOYSA-N 198.290 3.213 30 1 AGEF C=C(C)[C@@H]1C=C(C)CCC1 85540051 UXZIDIYMFIBDKT-JTQLQIEISA-N 136.238 3.309 30 1 AGEF biogenic,in-vitro C=C(C)[C@H]1CC=CCCC=CCC1=O 2356331088 VJWZVZISFZTZGU-GFCCVEGCSA-N 190.286 3.434 30 1 AGEF CC(=O)C1=C[C@]2(C)[C@@H](C)CCC[C@H]2C1 2356596929 WKNLFMXMEHMEGH-TVYUQYBPSA-N 192.302 3.348 30 1 AGEF C=C[C@H](C)/C=C\CC(=C)C 85645917 UVDIEZOBRSTXFC-ZEBCKKTISA-N 136.238 3.331 30 1 AGEF C=CC(C)(C)[C@H](C=C(C)C)OC(C)=O 14822572 NGIKFWJEQGLTBM-NSHDSACASA-N 196.290 3.097 30 1 AGEF endogenous,in-man CC=CC(=O)[C@@H](C)C=C(C)C=CC 2356641397 OFWGUFXBLWMHQC-NSHDSACASA-N 178.275 3.290 30 1 AGEF C=C(C)[C@@H]1C[C@H]1C=C(C)C 85840332 DEFOFCJWKJRAGJ-ZJUUUORDSA-N 136.238 3.165 30 1 AGEF C[C@H]1CCC[C@@]2(C)CCC[C@H]3O[C@]132 140197651 KKXSVZHUGGQUGL-WHOHXGKFSA-N 180.291 3.134 30 1 AGEF Cc1ccc(C[C@@H](C)C#N)c(Cl)c1 1857587598 PXNNDOFSLPTIMP-SECBINFHSA-N 193.677 3.351 30 1 AGEF C=CC=C[C@@H]1C=CC[C@@H]1C=C 2356781228 IDAWUYBDTOACFE-WDEREUQCSA-N 146.233 3.107 30 1 AGEF C=C1CC=C(C(C)C)[C@H]1C 85886102 MQFGIUKCEOGIGS-VIFPVBQESA-N 136.238 3.165 30 1 AGEF CC(C=CC=Cc1ccccc1)=NO 2356677616 GJVIAABVIGDQLQ-UHFFFAOYSA-N 187.242 3.106 30 1 AGEF C=C(C)C=C[C@H]1CC1(C)C 2356382221 RESIMHRPGANVBX-VIFPVBQESA-N 136.238 3.165 30 1 AGEF CCCCCCCCC(=O)CC(C)=O 43422658 PGCYJKDJSLVDGX-UHFFFAOYSA-N 198.306 3.285 30 1 AGEF C=C(C)C(C)=C(Cl)CC 2356329054 RIDCARBEKJXPKS-UHFFFAOYSA-N 144.645 3.485 30 1 AGEF C=CC(C)(C)/C=C/C(=C)C 85972551 BYLJEQIUXOYKOB-BQYQJAHWSA-N 136.238 3.331 30 1 AGEF endogenous,in-man C=C1[C@H]2C[C@@H]3CCC[C@@]1(C)[C@H]3[C@@H]2OC 2356742013 LLHPHBPRKKKJBB-ZOLYEBIHSA-N 192.302 3.014 30 1 AGEF C1=C[C@H]2O[C@@H]2c2ccc3ccccc3c21 100068712 ALTXUIJFJAHUPS-ZIAGYGMSSA-N 194.233 3.307 30 1 AGEF in-vitro CC=CC(=O)[C@@H]1C(C)=CC=CC1(C)C 2356706531 JGBBQKAJVHEQJM-LBPRGKRZSA-N 190.286 3.290 30 1 AGEF CCCCCCCC1=C(C)C(=O)OC1 200945460 UDWRSXHCHSNSFR-UHFFFAOYSA-N 196.290 3.220 30 1 AGEF C=CCCCN1CCC[C@@H](C)C1=S 5836805 WJPOKTWMHZMQLE-SNVBAGLBSA-N 197.347 3.012 30 1 AGEF CCCCCCC[C@@H]1CCOC(=O)C1 44431424 VCIYNTMPDNOIBJ-LLVKDONJSA-N 198.306 3.300 30 1 AGEF C=C1[C@@H]2C[C@H]3[C@H](CCC[C@]13C)C2 2356372394 DKAILBKDKWVWOM-NOOOWODRSA-N 162.276 3.389 30 1 AGEF Cc1ccc(/N=C\c2ccco2)cc1 478374 DGEJSIQDHCQUSU-LCYFTJDESA-N 185.226 3.339 30 1 AGEF C=C[C@H](C)/C=C\C=C(C)C 82227169 MUEGHLPGQFZQBZ-ZEBCKKTISA-N 136.238 3.331 30 1 AGEF CCC(/C=C/c1ccc(F)cc1)=N\O 116359995 GLYGZIVKLCTOTJ-PGMBSLALSA-N 193.221 3.079 30 1 AGEF C=CC[C@](C)(O)/C=C/c1ccccc1 8689904 BXMXCBXRCIPSMO-STRFDMGBSA-N 188.270 3.027 30 1 AGEF CCC=CC[C@H]1C(=O)C=C[C@@H]1CC 2356785287 SEYWTVHNOUUHHU-WDEREUQCSA-N 178.275 3.124 30 1 AGEF C=C(C)[C@H]1CC[C@]23COC=C[C@@H]2[C@H]3C1 253659853 KARNPWXWRMEABH-LOWDOPEQSA-N 190.286 3.139 30 1 AGEF C=C[C@@]1(C)CCC[C@@H](C(=C)C)O1 2356768677 RGPDUZJTXGUAPI-QWRGUYRKSA-N 166.264 3.076 30 1 AGEF CCCCCCC=CC=C[C@H](C)N 2356392670 LNNSMFKRGGYANY-LBPRGKRZSA-N 181.323 3.416 30 1 AGEF C=C[C@@H](O)CC=CCCCCC 2356596360 JYWXEBALSPBIIA-LLVKDONJSA-N 168.280 3.060 30 1 AGEF CC#CC#CC#C/C=C/C=C/CCCC 86040341 PFWZYRXBILXVDO-PXELCPQFSA-N 196.293 3.319 30 1 AGEF C=C1[C@H](CC(C)=O)C[C@H]2C[C@H]1C2(C)C 2356331558 ZJKXUGPLOAFMNP-GRYCIOLGSA-N 192.302 3.204 30 1 AGEF CC(=O)C=Cc1c(C)ccc(C)c1C 2356603361 AHHGVKNOSDJAQN-UHFFFAOYSA-N 188.270 3.214 30 1 AGEF CC=CC#CC#CC=CC=CCCC 2356729148 JPUYZYRCOVZLPY-UHFFFAOYSA-N 184.282 3.482 30 1 AGEF CC(=O)C1=C[C@]2(C)[C@@H](C)CCC[C@@H]2C1 238737207 WKNLFMXMEHMEGH-ZWKOPEQDSA-N 192.302 3.348 30 1 AGEF CCCCCCC=C(C)CC(=O)O 2356488148 AMLVNNDHFHTSBV-UHFFFAOYSA-N 184.279 3.378 30 1 AGEF CCCCCCC=COC(C)=O 2356366179 BQZSFXARLMHSGX-UHFFFAOYSA-N 170.252 3.034 30 1 AGEF C=CC[C@H]1CC[C@@H](CC)[C@H]2CCCN12 221846570 HPJFICLOMFNDQB-FRRDWIJNSA-N 193.334 3.216 30 1 AGEF C=C[C@]1(C)CCC[C@@H](C(=C)C)O1 59586186 RGPDUZJTXGUAPI-WDEREUQCSA-N 166.264 3.076 30 1 AGEF biogenic,in-vitro CCCCCCC[C@H]1CCOC(=O)C1 44431426 VCIYNTMPDNOIBJ-NSHDSACASA-N 198.306 3.300 30 1 AGEF C=C[C@@H]1CC=CC[C@H]1C=CC 2356456115 SANYBOSKJINUDB-GHMZBOCLSA-N 148.249 3.331 30 1 AGEF C=C[C@H]1CC=CC[C@@H]1C=CC 2356456117 SANYBOSKJINUDB-QWRGUYRKSA-N 148.249 3.331 30 1 AGEF C=C(C)c1cc(OC)c(C)cc1OC 196830478 BKYVJXZONZSTIB-UHFFFAOYSA-N 192.258 3.045 30 1 AGEF C=C1CC=C(C(C)C)[C@@H]1C 85886098 MQFGIUKCEOGIGS-SECBINFHSA-N 136.238 3.165 30 1 AGEF CC/C=C\C=C/C#C/C=C\C(=O)CC 238787504 SIDHDVNONVMCJP-JVRJDFAMSA-N 188.270 3.048 30 1 AGEF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/C1CC1)C2 1772656729 SVDOXLVYFSVOOB-BNEHLXBKSA-N 191.318 3.436 30 1 AGEF C=C(C)CCc1occc1C 14592214 OGQMYOKLFYJRGZ-UHFFFAOYSA-N 150.221 3.097 30 1 AGEF biogenic,in-vitro CSC=CC#CCc1ccccc1 2356465641 BQJDNQQWNLQSGB-UHFFFAOYSA-N 188.295 3.109 30 1 AGEF CC(C)=CC=C1Nc2ccccc2C1=O 2356451324 BOIVNWAXBYRSQP-UHFFFAOYSA-N 199.253 3.145 30 1 AGEF C=C[C@]1(C)CCC[C@H](C(=C)C)O1 2356768675 RGPDUZJTXGUAPI-GHMZBOCLSA-N 166.264 3.076 30 1 AGEF CC(C)C1=CC(=O)[C@@H]2CC[C@H](C)[C@@H]2C1 137870259 WJVCBBRYKVMYMG-WCQGTBRESA-N 192.302 3.204 30 1 AGEF C/C=C\C#CC#C/C=C/C=C/CCC 238762212 JPUYZYRCOVZLPY-DTZKCZIUSA-N 184.282 3.482 30 1 AGEF C=C(C)[C@@H]1CC=CCCC=CCC1=O 2356331089 VJWZVZISFZTZGU-LBPRGKRZSA-N 190.286 3.434 30 1 AGEF C=CC[C@@H]1CC[C@H](CC)[C@@H]2CCCN12 2356675833 HPJFICLOMFNDQB-XQQFMLRXSA-N 193.334 3.216 30 1 AGEF C=C[C@H]1CC=C[C@@H]1C=CCC 2356636273 BEUUCPGMRTUNSM-QWRGUYRKSA-N 148.249 3.331 30 1 AGEF C=C[C@H](O)CC=CCCCCC 2356596362 JYWXEBALSPBIIA-NSHDSACASA-N 168.280 3.060 30 1 AGEF C=C(C)C=C[C@@H]1CC1(C)C 2356382220 RESIMHRPGANVBX-SECBINFHSA-N 136.238 3.165 30 1 AGEF C=C(C)C/C=C/c1ccoc1 220072708 ZIOSZYWKPRFNOY-HWKANZROSA-N 148.205 3.259 30 1 AGEF CC(/C=C/c1cccc(Cl)c1)=N/O 101950261 VVMWYPSTSXTRDL-ZHDSEDTHSA-N 195.649 3.203 30 1 AGEF C=CC(=C)CC/C=C(/C)OC 238734724 FUNBHQNFZWDEMG-NTMALXAHSA-N 152.237 3.059 30 1 AGEF C=CCc1cc2c3c(cccc3n1)CC2 587214390 UBQHQOKZWIFFBG-UHFFFAOYSA-N 195.265 3.062 30 1 AGEF C=C1[C@H]2C[C@H](C[C@@H]1CC(C)=O)C2(C)C 2356331559 ZJKXUGPLOAFMNP-SDDRHHMPSA-N 192.302 3.204 30 1 AGEF CCC=CC[C@H]1C(=O)C=C[C@H]1CC 2356785284 SEYWTVHNOUUHHU-GHMZBOCLSA-N 178.275 3.124 30 1 AGEF C[C@@]12CCCCC1=C/C(=N/O)CC2 26293052 MTUSIFHFRNIWPP-OCUQMRJBSA-N 179.263 3.117 30 1 AGEF C=C1C=C(C)C(=C)C1(C)C 85972381 ZYNJIWMABWRUJT-UHFFFAOYSA-N 134.222 3.085 30 1 AGEF biogenic,in-vitro C=C[C@@H]1CC=CC[C@@H]1C=CC 2356456116 SANYBOSKJINUDB-MNOVXSKESA-N 148.249 3.331 30 1 AGEF C=CC=C[C@H]1C=CC[C@@H]1C=C 2356781225 IDAWUYBDTOACFE-QWRGUYRKSA-N 146.233 3.107 30 1 AGEF N#C[C@@]12CCC[C@H]3C[C@@H](CC[C@H]31)C2 299849622 NWTMITAOVIRCDG-KXNHARMFSA-N 175.275 3.116 30 1 AGEF C1=C[C@@H]2O[C@@H]2c2ccc3ccccc3c21 6118264 ALTXUIJFJAHUPS-UONOGXRCSA-N 194.233 3.307 30 1 AGEF in-vitro CC=CC#CC#CC=CC=CCC 2356582593 OUUDSRYJNWAHPD-UHFFFAOYSA-N 170.255 3.092 30 1 AGEF C=C[C@@H](C)/C=C\CC(=C)C 85645919 UVDIEZOBRSTXFC-BJPMOSCESA-N 136.238 3.331 30 1 AGEF C=C[C@H]1CC=CC[C@@H]1/C=C/C 85809426 SANYBOSKJINUDB-HFCJNZDQSA-N 148.249 3.331 30 1 AGEF C=C1[C@H]2C[C@@H]3CCC[C@@]1(C)[C@H]3C2 2356372393 DKAILBKDKWVWOM-FIQHERPVSA-N 162.276 3.389 30 1 AGEF CCCCCCCC(=O)[C@@H](C=O)CC 103276048 JRKFPEJLVJQJGH-LLVKDONJSA-N 198.306 3.141 30 1 AGEF CCCC[C@H]1C=CC(=O)/C1=C/C1CC1 201443507 OQXJJLCYTLQZLX-UTEVDWOZSA-N 190.286 3.268 30 1 AGEF C=CC=C[C@H]1C(C)=CC(=O)CC1(C)C 2356484541 YKVWPZJHENXDAJ-LBPRGKRZSA-N 190.286 3.290 30 1 AGEF C=C1[C@H]2C[C@@H]3CCC[C@]1(C)[C@H]3[C@@H]2OC 85546661 LLHPHBPRKKKJBB-CLPYTZEMSA-N 192.302 3.014 30 1 AGEF biogenic,in-vitro C=C1C=CCC(C)(C)[C@H]1C(=O)C=CC 2356706626 NTFPXECSILEYKG-GFCCVEGCSA-N 190.286 3.290 30 1 AGEF C(#CC1CCCCC1)c1ccccn1 28525865 WDQDPHLOSGNFKP-UHFFFAOYSA-N 185.270 3.013 30 1 AGEF in-vivo C=CC=C[C@H]1C=CC[C@H]1C=C 2356781224 IDAWUYBDTOACFE-MNOVXSKESA-N 146.233 3.107 30 1 AGEF C=C(C)[C@H]1CC[C@]23COC=C[C@H]2[C@H]3C1 253659857 KARNPWXWRMEABH-RVMXOQNASA-N 190.286 3.139 30 1 AGEF C=C(C)C=C[C@H]1CC(C)=CCCO1 2356471053 JEUOOEBZKFVZGG-LBPRGKRZSA-N 178.275 3.244 30 1 AGEF C1=C[C@@H]2O[C@H]2c2ccc3ccccc3c21 100068724 ALTXUIJFJAHUPS-KBPBESRZSA-N 194.233 3.307 30 1 AGEF in-vitro C=C[C@@]1(C)CCC=C2C(=O)CCC[C@@H]21 36381602 LTJLOOSMTDHEDS-AAEUAGOBSA-N 190.286 3.268 30 1 AGEF C=C[C@H]1C[C@H]1C=CC=CCC 2356499673 IUJUNEVKAIOLIM-WDEREUQCSA-N 148.249 3.331 30 1 AGEF C=CC[C@@H]1CC[C@@H](CC)[C@@H]2CCCN12 2356675832 HPJFICLOMFNDQB-UPJWGTAASA-N 193.334 3.216 30 1 AGEF C=CCC=CCC#CC#CCCC 2356758863 MFZNVKQCISUNOK-UHFFFAOYSA-N 172.271 3.316 30 1 AGEF C=CC=CC#Cc1ccc(C#CC)s1 2356440453 BTXGXNRHWLHJBS-UHFFFAOYSA-N 198.290 3.213 30 1 AGEF C=C/C(C)=C\C=C\C(=C)C 113281073 HPZWSJQQCJZBBG-QDJLDCPTSA-N 134.222 3.251 30 1 AGEF CCCCCCC=CC[C@H]1C[C@H]1O 2356326766 ZHWTYKIFNZMJSW-NWDGAFQWSA-N 182.307 3.284 30 1 AGEF C=C1[C@H]2CCC(C)(C)[C@H]1O[C@@H]2C=CC 2356615340 AOANZJQNJMQQPK-UTUOFQBUSA-N 192.302 3.322 30 1 AGEF C=CC=C[C@@H]1C=CC[C@H]1C=C 2356781222 IDAWUYBDTOACFE-GHMZBOCLSA-N 146.233 3.107 30 1 AGEF CC[C@H](C)CN=Cc1ccccc1 2356809605 ARMYZUQBESKUNP-NSHDSACASA-N 175.275 3.152 30 1 AGEF C=C[C@@H]1C[C@@H]1C=CC=CCC 2356499671 IUJUNEVKAIOLIM-MNOVXSKESA-N 148.249 3.331 30 1 AGEF C=CC=CC1=C(C)C(=O)CCC1(C)C 2356454496 NSFWSHKUSWODJO-UHFFFAOYSA-N 190.286 3.434 30 1 AGEF CC=CC(=O)[C@H]1C(C)=CC=CC1(C)C 2356706530 JGBBQKAJVHEQJM-GFCCVEGCSA-N 190.286 3.290 30 1 AGEF CCCCCCCC=CC(C)=O 2356408323 CCXHMPZXKYIXPU-UHFFFAOYSA-N 168.280 3.492 30 1 AGEF C=C/C=C/C#Cc1ccc(C#CC)s1 15274145 BTXGXNRHWLHJBS-AATRIKPKSA-N 198.290 3.213 30 1 AGEF C=C[C@H]1C[C@@H]1/C=C/C=C/CC 168316285 IUJUNEVKAIOLIM-LDQMQQEESA-N 148.249 3.331 30 1 AGEF C=C1[C@H]2C[C@@H]3CCC[C@@]1(C)[C@H]3[C@H]2OC 2356742011 LLHPHBPRKKKJBB-CKIKVBCHSA-N 192.302 3.014 30 1 AGEF C=C[C@H](C)C=CC=C(C)C 2356671826 MUEGHLPGQFZQBZ-JTQLQIEISA-N 136.238 3.331 30 1 AGEF C=C(C)[C@H]1C[C@@H]1C=C(C)C 85840329 DEFOFCJWKJRAGJ-VHSXEESVSA-N 136.238 3.165 30 1 AGEF CC(=CC[Si](C)(C)C)CCC=O 1857622789 DDGOLEUPIUDQKS-UHFFFAOYSA-N 184.355 3.250 30 1 AGEF CCCCCCC[C@H](C)OC 86047277 PXCMAGVBCRCVFB-JTQLQIEISA-N 158.285 3.382 30 1 AGEF C=C(C)C=C[C@H](C)C(=C)C 2356543394 PSZBPDGPFVFTSW-JTQLQIEISA-N 136.238 3.331 30 1 AGEF C=C[C@]1(C)CCC=C2C(=O)CCC[C@@H]21 72139647 LTJLOOSMTDHEDS-WCQYABFASA-N 190.286 3.268 30 1 AGEF C=CC(C)(C)C=CC(=C)C 2356490999 BYLJEQIUXOYKOB-UHFFFAOYSA-N 136.238 3.331 30 1 AGEF CCCCCC/C(CC)=N\O 14614379 UYPVPBFQQUHERE-KTKRTIGZSA-N 157.257 3.197 30 1 AGEF C=C1[C@H]2CCC(C)(C)[C@H]1O[C@H]2C=CC 2356615341 AOANZJQNJMQQPK-WOPDTQHZSA-N 192.302 3.322 30 1 AGEF C=C[C@H]1CC=C[C@H]1/C=C\CC 85878751 BEUUCPGMRTUNSM-OJTYSEKASA-N 148.249 3.331 30 1 AGEF C#CCO[C@@](C)(C=C)CCC=C(C)C 28824363 AQNKKCNNBOPCBM-ZDUSSCGKSA-N 192.302 3.327 30 1 AGEF C=C1[C@H]2CCC(C)(C)[C@H]1[C@@H](C=CC)O2 2356417249 VZNKGWCUZJXNCF-IJLUTSLNSA-N 192.302 3.322 30 1 AGEF CC(/C=C/c1cccc(Cl)c1)=N\O 45337116 VVMWYPSTSXTRDL-DOQHAEMYSA-N 195.649 3.203 30 1 AGEF C=C1[C@@H]2C[C@H]3[C@H](CCC[C@@]13C)C2 85546703 DKAILBKDKWVWOM-RHYQMDGZSA-N 162.276 3.389 30 1 AGEF biogenic,in-vitro CCCCCCCC(=O)[C@@H](C)C(C)=O 147195512 BKGWAHFRRDOJBN-JTQLQIEISA-N 198.306 3.141 30 1 AGEF C=C(C)[C@@H]1CC[C@H](C)O[C@H]1C=CC 2356730261 QXXUGQSBPWWMBA-SRVKXCTJSA-N 180.291 3.322 30 1 AGEF CCCCCCCC[C@H]1O[C@@H]1C(C)=O 85691052 UNRYDPQZRXRCAC-VXGBXAGGSA-N 198.306 3.093 30 1 AGEF C=C(C)/C=C\[C@H]1CC1(C)C 95910770 RESIMHRPGANVBX-UDIARPCQSA-N 136.238 3.165 30 1 AGEF biogenic,in-vitro CCCCCCC(CC)=NO 2356751152 UYPVPBFQQUHERE-UHFFFAOYSA-N 157.257 3.197 30 1 AGEF C=C(C)C(=O)/C=C\C=C/c1ccccc1 73057674 YIIMSMXCURRONT-SQXCDDPUSA-N 198.265 3.401 30 1 AGEF C=C[C@@H]1C[C@H]1C=CC=CCC 2356499668 IUJUNEVKAIOLIM-GHMZBOCLSA-N 148.249 3.331 30 1 AGEF C=C[C@@H]1CC=C[C@@H]1/C=C/CC 85878782 BEUUCPGMRTUNSM-HQVCXTMKSA-N 148.249 3.331 30 1 AGEF C=C(C)[C@H]1CC[C@@]23COC=C[C@@H]2[C@@H]3C1 101099128 KARNPWXWRMEABH-QNWHQSFQSA-N 190.286 3.139 30 1 AGEF C=CC/C=C\CC#CC#CCCC 238746007 MFZNVKQCISUNOK-CLFYSBASSA-N 172.271 3.316 30 1 AGEF C=CCc1oc(C)nc1CCCC 1645089 FZPOHNZVFUNVDI-UHFFFAOYSA-N 179.263 3.054 30 1 AGEF C=C(C)CN=C[C@@]1(C)CCC(C)=CO1 1857623370 XYIHSSNGADVMNH-GFCCVEGCSA-N 193.290 3.106 30 1 AGEF C=CC(C)=CCCC(=C)C 2356697930 XJPBRODHZKDRCB-UHFFFAOYSA-N 136.238 3.475 30 1 AGEF C=C(C)[C@@H]1CCC(C)=C(OC(C)=O)C1 13304892 JHXHCWZOYQCWJN-LLVKDONJSA-N 194.274 3.200 30 1 AGEF endogenous,in-man C=C/C=C/[C@H]1C(C)=CC(=O)CC1(C)C 5766760 YKVWPZJHENXDAJ-SYTKJHMZSA-N 190.286 3.290 30 1 AGEF in-man C/C=C\C#CC#C/C=C\C=C/CCC 238762178 JPUYZYRCOVZLPY-HBIXDKJFSA-N 184.282 3.482 30 1 AGEF C=CC(C)(C)[C@@H](C=C(C)C)OC(C)=O 14822570 NGIKFWJEQGLTBM-LLVKDONJSA-N 196.290 3.097 30 1 AGEF endogenous,in-man C=C[C@](C)(CCCC(=C)C)OC(C)=O 33952400 RHPYMJUXEXERLP-GFCCVEGCSA-N 196.290 3.241 30 1 AGEF C=C(C)C=C[C@@H]1C[C@@H](C)CCCO1 2356486422 RLBHQLPVVYXAQJ-NWDGAFQWSA-N 180.291 3.324 30 1 AGEF CCCC[C@H](C#N)c1ccc(F)cn1 95872461 FGPHHVJPLSFCEP-SECBINFHSA-N 192.237 3.018 30 3 AGEF C=C[C@](C)(CCCC(C)C)OC(C)=O 5758867 DMSMQGBPJBKXNU-GFCCVEGCSA-N 198.306 3.321 30 1 AGEF biogenic,in-vitro C=C(C)c1ccc(C)c(OC)c1 149411681 SHZSFIUMTQEXDN-UHFFFAOYSA-N 162.232 3.037 30 1 AGEF C=C1C=C[C@@H](C(=C)C)CC1 85644727 AIHLLNBDCIXTFL-SNVBAGLBSA-N 134.222 3.085 30 1 AGEF biogenic,in-vitro CCC=C1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 2356318596 FFPUXAKQEIEKNL-ZWNOBZJWSA-N 192.302 3.348 30 1 AGEF C=C(C)CN=C[C@]1(C)CCC(C)=CO1 1857623371 XYIHSSNGADVMNH-LBPRGKRZSA-N 193.290 3.106 30 1 AGEF C=CC(=C)CCC=C(C)OC 2356485405 FUNBHQNFZWDEMG-UHFFFAOYSA-N 152.237 3.059 30 1 AGEF C=C[C@@H]1CC=C[C@H]1C=CCC 2356636271 BEUUCPGMRTUNSM-GHMZBOCLSA-N 148.249 3.331 30 1 AGEF C=CC=CC=CC#Cc1cccs1 2356457185 GQFSKZRMTXWHQK-UHFFFAOYSA-N 186.279 3.398 30 1 AGEF C=C[C@H]1C[C@H]1/C=C/C=C\CC 138166774 IUJUNEVKAIOLIM-WWYZZQEXSA-N 148.249 3.331 30 1 AGEF CC#CC#CC#CC=CC=CCCCC 2356444952 PFWZYRXBILXVDO-UHFFFAOYSA-N 196.293 3.319 30 1 AGEF C=C1CCC(C(C)(C)OC(C)=O)CC1 14588944 IWKXKWUCSZHJEK-UHFFFAOYSA-N 196.290 3.075 30 1 AGEF in-vitro C=C[C@H](C)C=CCC(=C)C 2356607436 UVDIEZOBRSTXFC-JTQLQIEISA-N 136.238 3.331 30 1 AGEF C#CCCCCCCC[C@@H](C)OC 14825694 FGBYEHKHCGYLFY-GFCCVEGCSA-N 182.307 3.385 30 1 AGEF C=C(C)[C@H]1CC[C@H](C)CC1 238761439 WPMKLOWQWIDOJN-AOOOYVTPSA-N 138.254 3.389 30 1 AGEF C=C(C)[C@H]1CCC=CC1=C 86034755 HZHNTXKWFDHZIG-SNVBAGLBSA-N 134.222 3.085 30 1 AGEF CS/C=C\C#CCc1ccccc1 14593686 BQJDNQQWNLQSGB-XFFZJAGNSA-N 188.295 3.109 30 1 AGEF endogenous,in-man C=CC=C[C@@H]1CCC[C@@H]1C=C 2356822184 FSXHJKUSLWXELT-WDEREUQCSA-N 148.249 3.331 30 1 AGEF C=CC=C(C)CC[C@H]1OC1(C)C 2356449959 DOLAGBYJHIWHJT-SNVBAGLBSA-N 166.264 3.076 30 1 AGEF CCCCCCC=C[C@@H]1CCC(=O)O1 2356479008 ADZMLQKJPQFTIS-LLVKDONJSA-N 196.290 3.219 30 1 AGEF C=C/C(C)=C/C=C\C(=C)C 85645915 HPZWSJQQCJZBBG-VAAURPRASA-N 134.222 3.251 30 1 AGEF C=C(C)/C=C/[C@H]1CC1(C)C 70454518 RESIMHRPGANVBX-CYNONHLPSA-N 136.238 3.165 30 1 AGEF biogenic,in-vitro C=C(C)[C@H]1CC[C@]23COC=C[C@@H]2[C@@H]3C1 101099131 KARNPWXWRMEABH-RNJOBUHISA-N 190.286 3.139 30 1 AGEF CC/C=C/C=C/C#C/C=C/C(=O)CC 238778701 SIDHDVNONVMCJP-ISJLSFFYSA-N 188.270 3.048 30 1 AGEF C=C(C)C=C[C@@H]1CC(C)=CCCO1 2356471052 JEUOOEBZKFVZGG-GFCCVEGCSA-N 178.275 3.244 30 1 AGEF CC(=O)C=Cc1cc(C)cc(C)c1C 2356284863 UABKUEYIQHSUFJ-UHFFFAOYSA-N 188.270 3.214 30 1 AGEF C=C/C(C)=C\C=C/C(=C)C 113281070 HPZWSJQQCJZBBG-INZNQPOWSA-N 134.222 3.251 30 1 AGEF C/C=C/C#CC#C/C=C/C=C/CCC 238732751 JPUYZYRCOVZLPY-MLKKSRJHSA-N 184.282 3.482 30 1 AGEF CC(=O)C=C1C=C(C)CC(C)(C)C1 2356416670 BPMFQXXZWSBLRP-UHFFFAOYSA-N 178.275 3.268 30 1 AGEF CC(C)C/C=C/C(=O)c1ccccc1 34484624 QTRLSRWKVAYOBV-UXBLZVDNSA-N 188.270 3.472 30 1 AGEF CCCCCCC=CCCC=O 2356505811 QGNDNDFXCNBMKI-UHFFFAOYSA-N 168.280 3.492 30 1 AGEF CC=CCCCCCCCC=O 2356700172 ZFMUIJVOIVHGCF-UHFFFAOYSA-N 168.280 3.492 30 1 AGEF C/C=C/C#CC#CC/C=C\CCC 238771038 IOGWYRJEVDCUSO-BVDZGSKYSA-N 172.271 3.316 30 1 AGEF C=C(C)C(=O)/C=C\C=C\c1ccccc1 73057681 YIIMSMXCURRONT-QZTBCQRESA-N 198.265 3.401 30 1 AGEF C=C(C)C(=C)CC(C)=CC 2356330656 NUVZHUHADLUEJS-UHFFFAOYSA-N 136.238 3.475 30 1 AGEF CCC(=O)/C=C/CCc1ccccc1 14651898 ODCSFCQFCURYEG-YRNVUSSQSA-N 188.270 3.155 30 1 AGEF CCCCCCCC(=O)[C@H](C)C(C)=O 147195696 BKGWAHFRRDOJBN-SNVBAGLBSA-N 198.306 3.141 30 1 AGEF CC(C)CC=NCCC(C)C 2356285893 WYNULUURQZBBSK-UHFFFAOYSA-N 155.285 3.149 30 1 AGEF CCCC[C@@H](C#N)c1ccc(F)cn1 95872460 FGPHHVJPLSFCEP-VIFPVBQESA-N 192.237 3.018 30 3 AGEF C=C(C)[C@H]1CC[C@@]23COC=C[C@H]2[C@@H]3C1 101099134 KARNPWXWRMEABH-ZDEQEGDKSA-N 190.286 3.139 30 1 AGEF C=C[C@]1(C)CCC=C2C(=O)CCC[C@H]21 72139649 LTJLOOSMTDHEDS-DGCLKSJQSA-N 190.286 3.268 30 1 AGEF C=C(C)C(=O)C=CC=Cc1ccccc1 1857622737 YIIMSMXCURRONT-UHFFFAOYSA-N 198.265 3.401 30 1 AGEF CCCCCCC=CC[C@H]1C[C@@H]1O 2356326767 ZHWTYKIFNZMJSW-RYUDHWBXSA-N 182.307 3.284 30 1 AGEF CC/C=C\C=C\C#C/C=C\C(=O)CC 238787506 SIDHDVNONVMCJP-BWYMVAJESA-N 188.270 3.048 30 1 AGEF C=C(C)C=C[C@H]1C[C@H](C)CCCO1 2356486421 RLBHQLPVVYXAQJ-NEPJUHHUSA-N 180.291 3.324 30 1 AGEF C=C1C=CCC(C)(C)[C@@H]1C(=O)C=CC 2356706627 NTFPXECSILEYKG-LBPRGKRZSA-N 190.286 3.290 30 1 AGEF C=C(C)[C@@H]1CCC=CC1=C 86034752 HZHNTXKWFDHZIG-JTQLQIEISA-N 134.222 3.085 30 1 AGEF CCC[C@H](C)C=C(C)C(=O)CC 2356544088 CCYCIXXXZQOWPQ-VIFPVBQESA-N 168.280 3.348 30 1 AGEF CCC(=O)C=CCCc1ccccc1 2356690867 ODCSFCQFCURYEG-UHFFFAOYSA-N 188.270 3.155 30 1 AGEF C=C[C@@H](C=C(C)C)C(C)(C)OC(C)=O 14690796 NHUKUXHBUOLLAY-NSHDSACASA-N 196.290 3.097 30 1 AGEF endogenous,in-man CC(=O)C=Cc1ccc(C)c(C)c1C 2356474291 MEDKLEZVUNZBJS-UHFFFAOYSA-N 188.270 3.214 30 1 AGEF C=C(C/C=C\C)C(C)C 136795127 KKKHJDOOIQCWIL-WAYWQWQTSA-N 124.227 3.165 30 1 AGEF C=C[C@H]1C[C@@H]1C=CC=CCC 2356499672 IUJUNEVKAIOLIM-QWRGUYRKSA-N 148.249 3.331 30 1 AGEF C=C(C)CC=Cc1ccoc1 2356563373 ZIOSZYWKPRFNOY-UHFFFAOYSA-N 148.205 3.259 30 1 AGEF C=Nc1ccc2ccccc2c1 95920624 FGRABSHVUNBHIE-UHFFFAOYSA-N 155.200 3.172 30 1 AGEF in-vitro C=C[C@H](C=C(C)C)C(C)(C)OC(C)=O 14690794 NHUKUXHBUOLLAY-LLVKDONJSA-N 196.290 3.097 30 1 AGEF endogenous,in-man CCCC1=CC[C@@H](C(C)C)CC1=O 85948054 UWVOJXMWYPOIQV-LLVKDONJSA-N 180.291 3.348 30 1 AGEF CCCCCCC=CC[C@@H]1C[C@H]1O 2356326768 ZHWTYKIFNZMJSW-VXGBXAGGSA-N 182.307 3.284 30 1 AGEF C=C(C)[C@H]1CC[C@]23COC=C[C@H]2[C@@H]3C1 28824367 KARNPWXWRMEABH-CYDGBPFRSA-N 190.286 3.139 30 1 AGEF C=C1[C@@H]2CCC(C)(C)[C@H]1[C@H](/C=C/C)O2 238780620 VZNKGWCUZJXNCF-PRRPRFCCSA-N 192.302 3.322 30 1 AGEF CCCCC[C@H](S)SC 95620495 RVLJKGCMYBJOLZ-SSDOTTSWSA-N 164.339 3.186 30 1 AGEF endogenous,in-man CC=C(C)C=C(C)C(=O)C(C)C 2356699926 OLHSYGLZSVKPQQ-UHFFFAOYSA-N 166.264 3.124 30 1 AGEF C=C1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 196116035 GMHPLWSAPIGJME-UTLUCORTSA-N 150.265 3.245 30 1 AGEF biogenic CCCCCCC=CC[C@@H]1C[C@@H]1O 2356326765 ZHWTYKIFNZMJSW-NEPJUHHUSA-N 182.307 3.284 30 1 AGEF C=C(C)[C@@H]1CC[C@@H](C)O[C@@H]1C=CC 2356730259 QXXUGQSBPWWMBA-GRYCIOLGSA-N 180.291 3.322 30 1 AGEF CCCC[C@@H]1C=CC(=O)/C1=C/C1CC1 201443470 OQXJJLCYTLQZLX-LWMMSDEHSA-N 190.286 3.268 30 1 AGEF CC/C=C/C=C/C#C/C=C\C(=O)CC 238787507 SIDHDVNONVMCJP-BTXSYYOXSA-N 188.270 3.048 30 1 AGEF CCCCCCCCCCOCO 14881035 CDMVCFBAVCCGIE-UHFFFAOYSA-N 188.311 3.094 30 1 AGEF in-vivo C=C(C)[C@@H]1CC[C@H](C)O[C@@H]1C=CC 2356730260 QXXUGQSBPWWMBA-SDDRHHMPSA-N 180.291 3.322 30 1 AGEF C=C[C@@H]1CC=C[C@@H]1C=CCC 2356636272 BEUUCPGMRTUNSM-MNOVXSKESA-N 148.249 3.331 30 1 AGEF CCC[C@@H](C)C=C(C)C(=O)CC 2356544087 CCYCIXXXZQOWPQ-SECBINFHSA-N 168.280 3.348 30 1 AGEF C=C1[C@H]2C[C@@H]3CCC[C@]1(C)[C@H]3C2 2356372392 DKAILBKDKWVWOM-BJDJZHNGSA-N 162.276 3.389 30 1 AGEF CC(=O)C=C(C)[C@@H]1CC=C(C)CC1 2356475867 SSDLCRAPQKJETK-GFCCVEGCSA-N 178.275 3.268 30 1 AGEF CSCCCCCCC#[N+][O-] 62238393 RFMWHKQIFOKKGC-UHFFFAOYSA-N 173.281 3.131 30 1 AGEF in-vitro C=CC=C[C@@H]1CCC[C@H]1C=C 2356822181 FSXHJKUSLWXELT-GHMZBOCLSA-N 148.249 3.331 30 1 AGEF C(=N/Oc1ccccc1)\c1ccccc1 13610890 DVMZBNAFEMOUBT-SDNWHVSQSA-N 197.237 3.100 30 1 AGEF C=C[C@H]1C[C@@H]1/C=C/C=C\CC 85637573 IUJUNEVKAIOLIM-LHBSJXCKSA-N 148.249 3.331 30 1 AGEF CC(=O)C1=C[C@@]2(C)[C@@H](CCC[C@H]2C)C1 2356596927 WKNLFMXMEHMEGH-JIMOISOXSA-N 192.302 3.348 30 1 AGEF CSCCCCCCCC=NO 2356348057 XKNUDVRSFJJTNT-UHFFFAOYSA-N 189.324 3.150 30 1 AGEF C=C/C(C)=C/C=C/C(=C)C 113281068 HPZWSJQQCJZBBG-LQPGMRSMSA-N 134.222 3.251 30 1 AGEF in-vitro C=CC=C(C)CC[C@@H]1OC1(C)C 2356449958 DOLAGBYJHIWHJT-JTQLQIEISA-N 166.264 3.076 30 1 AGEF C=C1[C@H]2C[C@@H]3CCC[C@]1(C)[C@H]3[C@H]2OC 2356742012 LLHPHBPRKKKJBB-QWQWKMKNSA-N 192.302 3.014 30 1 AGEF C#CCO[C@@H]1C[C@H](C)CC[C@H]1C(=C)C 28824365 NOFLTWKPJLGXLL-FRRDWIJNSA-N 192.302 3.017 30 1 AGEF C=C[C@H](C)/C=C/C=C(C)C 82227170 MUEGHLPGQFZQBZ-PCGIRMHASA-N 136.238 3.331 30 1 AGEF CCCCCCCC(=O)[C@H](C=O)CC 103276046 JRKFPEJLVJQJGH-NSHDSACASA-N 198.306 3.141 30 1 AGEF CC(C)[C@@H]1CC[C@@H](C)C2=CC(=O)C[C@H]21 2356357587 SPUHUUUOQNMMPE-CDMKHQONSA-N 192.302 3.204 30 1 AGEF C#CC=CCCCCCC 2356753905 OMLUZGAUTCIZLU-UHFFFAOYSA-N 136.238 3.146 30 1 AGEF C=C[C@@]1(C)CCC=C2C(=O)CCC[C@H]21 72139648 LTJLOOSMTDHEDS-YPMHNXCESA-N 190.286 3.268 30 1 AGEF C=C(C)[C@@H]1CC[C@@H](C)O[C@H]1C=CC 2356730262 QXXUGQSBPWWMBA-WOPDTQHZSA-N 180.291 3.322 30 1 AGEF C=C[C@@H](C)/C=C\C=C(C)C 82227171 MUEGHLPGQFZQBZ-BJPMOSCESA-N 136.238 3.331 30 1 AGEF C=C/C=C/[C@@H]1C(C)=CC(=O)CC1(C)C 5766755 YKVWPZJHENXDAJ-NNNHXZLVSA-N 190.286 3.290 30 1 AGEF in-man CCCC/N=C1/C=C(O)CC(C)(C)C1 104067435 XIYSAYCJDKLUKQ-RAXLEYEMSA-N 195.306 3.489 30 1 AGEF CCCCCC/C=C\C=C\CCO 136125996 QXDRQDKWTDCHOZ-UQGDGPGGSA-N 182.307 3.452 30 1 AGEF C=C[C@H]1CC=C[C@H]1C=CCC 2356636274 BEUUCPGMRTUNSM-WDEREUQCSA-N 148.249 3.331 30 1 AGEF C=C/C=C/C=C/C#Cc1cccs1 238779575 GQFSKZRMTXWHQK-VNKDHWASSA-N 186.279 3.398 30 1 AGEF C=C(C)C(=O)/C=C/C=C/c1ccccc1 8682285 YIIMSMXCURRONT-JMQWPVDRSA-N 198.265 3.401 30 1 AGEF CC/C=C\C=C\C#C/C=C/C(=O)CC 238740305 SIDHDVNONVMCJP-QKJXSTKGSA-N 188.270 3.048 30 1 AGEF C=CC[C@@](C)(O)/C=C/c1ccccc1 8689903 BXMXCBXRCIPSMO-YGNAEDSMSA-N 188.270 3.027 30 1 AGEF CC(=O)/C=C/c1c(C)ccc(C)c1C 33951083 AHHGVKNOSDJAQN-BQYQJAHWSA-N 188.270 3.214 30 1 AGEF C=C(C)c1cccc(OC)c1C 223724288 LFJSDOPRELEYLN-UHFFFAOYSA-N 162.232 3.037 30 1 AGEF CCC=CC[C@@H]1C(=O)C=C[C@H]1CC 2356785285 SEYWTVHNOUUHHU-MNOVXSKESA-N 178.275 3.124 30 1 AGEF C=C[C@@H](C)/C=C/CC(=C)C 204980341 UVDIEZOBRSTXFC-QEHWCHDUSA-N 136.238 3.331 30 1 AGEF CC[C@@H](C)CN=Cc1ccccc1 2356809604 ARMYZUQBESKUNP-LLVKDONJSA-N 175.275 3.152 30 1 AGEF C=C(C)/C=C/c1occc1C 13399038 MOVHCBLRKLLLQI-SNAWJCMRSA-N 148.205 3.177 30 1 AGEF