smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCS[S@@](=O)C=CC 2356338082 MMTFXWIIILIGFN-SECBINFHSA-N 162.279 2.103 50 1 AEGF C[C@@]12CCO[C@@H]1OOC1(CCCC1)C2 653749386 WJTMNJBJYFRVEC-ZJUUUORDSA-N 198.262 2.404 50 1 AEGF C/C=C\[S@](=O)SCCC 14679944 PQPRIQKDDOEUMO-RNEXMXFGSA-N 164.295 2.327 50 1 AEGF endogenous,in-man C/C(=C/CO)C/C=C/C(C)(C)OO 85645364 UYFVWWJTLUHGLJ-DMDUXHFBSA-N 186.251 2.140 50 1 AEGF CC/C=C/CCC(=O)Cl 15272621 XBXOEGBJQSPGKG-ONEGZZNKSA-N 146.617 2.498 50 1 AEGF N#C[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2N=C=S 169369449 OZOKONRHFFNKMX-HXFLIBJXSA-N 178.260 2.027 50 1 AEGF Cc1noc(C)c1CSC#N 1772639441 SHGIIRDFTATRQB-UHFFFAOYSA-N 168.221 2.006 50 1 AEGF C=CCS[S@](=O)/C=C\C 14679893 MMTFXWIIILIGFN-XTULLQBASA-N 162.279 2.103 50 1 AEGF endogenous,in-man CC(=CCO)CC=CC(C)(C)OO 2356534968 UYFVWWJTLUHGLJ-UHFFFAOYSA-N 186.251 2.140 50 1 AEGF CC1(C)CC(=CCCl)C=C[C@@H]1O 2356561607 BWDHVVRXGNZMSK-VIFPVBQESA-N 186.682 2.499 50 1 AEGF C[C@H]1C=CSS1 33832605 NKTXJFKBFZWDLD-BYPYZUCNSA-N 118.226 2.284 50 1 AEGF biogenic,in-vitro C=C(C)[C@]12C=C[C@](C)(CC1)OO2 85666180 RWPXEQVVWFZXTC-ZJUUUORDSA-N 166.220 2.372 50 1 AEGF endogenous,in-man CC=CS[S@](=O)CCC 2356486573 XLVMWOFYTFNDKM-VIFPVBQESA-N 164.295 2.327 50 1 AEGF CC/C=C\C=C/C=C\C=O 33953305 XHDSWFFUGPJMMN-QMGPHSPGSA-N 136.194 2.264 50 1 AEGF endogenous,in-man CC1(C)CC(=CCCl)C=C[C@H]1O 2356561606 BWDHVVRXGNZMSK-SECBINFHSA-N 186.682 2.499 50 1 AEGF CCCNSSNCCC 59280502 MNADGGXZYUWZMJ-UHFFFAOYSA-N 180.342 2.197 50 1 AEGF CC(C)(C)OOCN1CCCCC1 43260547 QYXZHBBXURJKAE-UHFFFAOYSA-N 187.283 2.177 50 1 AEGF C=CCSSC=CC=O 2356484207 MAEYCTWSMVXOQT-UHFFFAOYSA-N 160.263 2.266 50 1 AEGF CC(C)[C@]12C=C[C@@](C)(CC1)OO2 100071407 MGYMHQJELJYRQS-UWVGGRQHSA-N 168.236 2.452 50 1 AEGF endogenous,in-man C=CCCCCC=CC=O 2356697991 ZWSQVNVYDZKIEV-UHFFFAOYSA-N 138.210 2.488 50 1 AEGF CC(C)=CCCC(C=O)=CC=O 2356645485 RZUYNBNUYOKGPO-UHFFFAOYSA-N 166.220 2.057 50 1 AEGF CC(=O)[C@H]1C[C@@H]2C[C@@H]1C[C@@H]2N=C=S 100802161 JAFDGJGPXFVHSN-RGOKHQFPSA-N 195.287 2.093 50 1 AEGF C=C(C)[C@@H]1OOC(C)(C)O[C@H]1C 43463018 DXAMQHXSLXTRGT-YUMQZZPRSA-N 172.224 2.034 50 1 AEGF CC(=O)[C@@H]1C[C@@H]2C[C@@H](N=C=S)[C@@H]1C2 103023130 AYUSDYWETCHGNN-AXTSPUMRSA-N 195.287 2.093 50 1 AEGF CCCCC1C2(C)OOC1(C)OO2 95554943 KFVHMCJOAGJVQM-UHFFFAOYSA-N 188.223 2.149 50 1 AEGF CCCC(C=O)=CC=CC[C@H](C)O 2356614452 VOMLZYDFZMSWGX-JTQLQIEISA-N 182.263 2.239 50 1 AEGF CC[C@@]12CCO[C@@H]1OOC(C)(C)C2 72111437 VAQRJCGSPTWGLB-SCZZXKLOSA-N 186.251 2.260 50 1 AEGF CC(C)CC12OOC(C)(OO1)[C@@H]2C 473083534 BWDZNDBZLRAOFP-UEJVZZJDSA-N 188.223 2.005 50 1 AEGF CN(C)CCCC1CSSC1 103280462 JDEHCLQUBZZSHX-UHFFFAOYSA-N 191.365 2.339 50 1 AEGF O=[S@@]1Cc2ccccc2CS1 17190060 VORNVNVQZGBFKO-LLVKDONJSA-N 184.285 2.097 50 1 AEGF CCC12CC(CC(C)C)(OO1)OO2 205073086 URSSUXIRIAJXTN-UHFFFAOYSA-N 188.223 2.149 50 1 AEGF C=C1C(=O)OC(=O)[C@@H]1CCCCCC 2356801686 RQHWISSQTBJTCQ-SECBINFHSA-N 196.246 2.213 50 1 AEGF CC(=O)[C@H]1C[C@@H]2C[C@@H](N=C=S)[C@@H]1C2 102260339 AYUSDYWETCHGNN-SGIHWFKDSA-N 195.287 2.093 50 1 AEGF C[C@@H]1C[C@H](CN(C)C)SS1 103278811 WEUOFLGOXLMUOO-RNFRBKRXSA-N 177.338 2.090 50 1 AEGF C=CC[S@](=O)SC=CC 2356452531 UALJWNWDDJRJTL-SECBINFHSA-N 162.279 2.103 50 1 AEGF CC(C)C(C#N)(C#N)OOC(C)(C)C 95553320 LRJNYYIVGHWHEV-UHFFFAOYSA-N 196.250 2.175 50 1 AEGF C/C=C\S[S@@](=O)CCC 13887246 XLVMWOFYTFNDKM-LVCFMKKZSA-N 164.295 2.327 50 1 AEGF endogenous,in-man CC=CS[S@@](=O)CCC 2356486572 XLVMWOFYTFNDKM-SECBINFHSA-N 164.295 2.327 50 1 AEGF CC(=CC(=O)Cl)C(C)C 2356589670 NRXYVLMELQCHIM-UHFFFAOYSA-N 146.617 2.354 50 1 AEGF O[C@@H]1CCCc2nccc(CCl)c21 2356793043 GZEHTZDKKUTPMR-SECBINFHSA-N 197.665 2.190 50 1 AEGF CC=CS[S@](=O)C=CC 2356337900 GYJUUWJKEUIYPF-VIFPVBQESA-N 162.279 2.451 50 1 AEGF CC1=CCSS1 33832602 ZCSKFDIEYBVILK-UHFFFAOYSA-N 118.226 2.285 50 1 AEGF biogenic,in-vitro CCN(CC)CCCCSC#N 28017166 SJCLTRPQNSYAEK-UHFFFAOYSA-N 186.324 2.323 50 1 AEGF CC(=O)[C@H]1C[C@H]2C[C@@H](N=C=S)[C@@H]1C2 29466664 AYUSDYWETCHGNN-ZYUZMQFOSA-N 195.287 2.093 50 1 AEGF CCCC=CC#CC=CC=O 2356508152 RPRDZOKGILIXOC-UHFFFAOYSA-N 148.205 2.101 50 1 AEGF C=CC[S@@](=O)SC=CC 2356452532 UALJWNWDDJRJTL-VIFPVBQESA-N 162.279 2.103 50 1 AEGF CC(C)[C@@H]1C=CC(C=O)=CC1 39103018 IHMUIEIWVVHVHY-SNVBAGLBSA-N 150.221 2.344 50 1 AEGF CC(=O)[C@@H]1C[C@H]2C[C@H]1C[C@H]2N=C=S 253633319 JAFDGJGPXFVHSN-QCLAVDOMSA-N 195.287 2.093 50 1 AEGF O=C(Cl)C=C(Cl)Cl 13451721 VAWGHWUJVWHUKW-UHFFFAOYSA-N 159.399 2.071 50 1 AEGF C1=C[C@@H](C2CCCC2)OOC1 43693257 KYVUIZZDLHPMPM-VIFPVBQESA-N 154.209 2.063 50 1 AEGF C=C1C(=O)OC(=O)[C@H]1CCCCCC 2356801687 RQHWISSQTBJTCQ-VIFPVBQESA-N 196.246 2.213 50 1 AEGF CC(C)/C=C/N=C=S 103208246 UTQUNTRSLXUQEK-ONEGZZNKSA-N 127.212 2.259 50 1 AEGF CSSSC 4097550 YWHLKYXPLRWGSE-UHFFFAOYSA-N 126.271 2.276 50 1 AEGF biogenic,in-man C=C(C)[C@@]12C=C[C@@](C)(CC1)OO2 85666182 RWPXEQVVWFZXTC-VHSXEESVSA-N 166.220 2.372 50 1 AEGF endogenous,in-man C[C@@H]1C[C@@H](CN(C)C)SS1 103278817 WEUOFLGOXLMUOO-RQJHMYQMSA-N 177.338 2.090 50 1 AEGF CC1=CSSC1 33832603 UHYMACQSUPLYEZ-UHFFFAOYSA-N 118.226 2.285 50 1 AEGF biogenic,in-vitro C=CCS[S@@](=O)/C=C/C 95618263 MMTFXWIIILIGFN-DNQSNQRASA-N 162.279 2.103 50 1 AEGF endogenous,in-man C=C(C)[C@H]1C[C@H]2OO[C@@H]1C=C2C 98081916 VYLLQEUSXSRTJV-OPRDCNLKSA-N 166.220 2.228 50 1 AEGF C=C[C@@H]1C=CCSS1 13480727 UQXHSMWBRGWFBK-ZCFIWIBFSA-N 144.264 2.492 50 1 AEGF biogenic,in-vitro C=CC[S@](=O)S/C=C\C 14679890 UALJWNWDDJRJTL-LVCFMKKZSA-N 162.279 2.103 50 1 AEGF endogenous,in-man N#C[C@H]1C[C@H]2C[C@@H]1C[C@@H]2N=C=S 29477813 OZOKONRHFFNKMX-BGZDPUMWSA-N 178.260 2.027 50 1 AEGF CC1=C[C@H]2OO[C@@H]1C[C@@H]2C(C)C 98081915 PAGUSKCEKZOQHZ-OPRDCNLKSA-N 168.236 2.308 50 1 AEGF C1CCC(C[C@H]2OOC[C@@H]3O[C@@H]32)CC1 42784515 LHZYSZFADPFIQA-OUAUKWLOSA-N 198.262 2.055 50 1 AEGF Cc1ccc(/C=C/C=O)c([N+](=O)[O-])c1 98082754 RMPRXTAPZWILFG-NSCUHMNNSA-N 191.186 2.115 50 1 AEGF CC#CC#CCc1ccc(C=CC=O)o1 2356402979 WQHGGTOBTSJEJN-UHFFFAOYSA-N 198.221 2.061 50 1 AEGF CC(C)CC12OOC(C)(OO1)[C@H]2C 473083524 BWDZNDBZLRAOFP-AFPNSQJFSA-N 188.223 2.005 50 1 AEGF C/C(C=O)=C\C=C\C(C)=C\C=C\C=O 96094970 NOURWHKLHSWPGX-KIUBFKPTSA-N 190.242 2.389 50 1 AEGF in-vitro CC(=O)[C@@H]1C[C@H]2C[C@H]1C[C@@H]2N=C=S 210783751 JAFDGJGPXFVHSN-JXUBOQSCSA-N 195.287 2.093 50 1 AEGF C1CSSCS1 14823819 CKNHWDCFHMOKLL-UHFFFAOYSA-N 138.282 2.072 50 1 AEGF in-vitro O=Cc1ccc(NCCCl)cc1 36382729 RRTIJKPHPQZONM-UHFFFAOYSA-N 183.638 2.150 50 1 AEGF CC(C)NSSNC(C)C 59280506 YOZBFMTYLWHIQU-UHFFFAOYSA-N 180.342 2.194 50 1 AEGF O=CC=CCCCCCCC(=O)O 2356527210 YUAQBOMIASXPQW-UHFFFAOYSA-N 184.235 2.167 50 1 AEGF CSC1CSSC1 6019691 JRRLOZZRIAGLOB-UHFFFAOYSA-N 152.309 2.113 50 1 AEGF CC/C=C\N=C=S 111455357 XDDPFUCCKIMFOG-ARJAWSKDSA-N 113.185 2.013 50 1 AEGF N#CSC#CCCC#CSC#N 1643470 CSIXXMVWGHPMTG-UHFFFAOYSA-N 192.268 2.117 50 1 AEGF CCCCCCCC(=O)OO 95618290 CVXHBROPWMVEQO-UHFFFAOYSA-N 160.213 2.363 50 1 AEGF endogenous,in-man C[C@H]1C[C@@H](CN(C)C)SS1 103278818 WEUOFLGOXLMUOO-BQBZGAKWSA-N 177.338 2.090 50 1 AEGF C=CCS[S@@](=O)/C=C\C 14679895 MMTFXWIIILIGFN-RNEXMXFGSA-N 162.279 2.103 50 1 AEGF endogenous,in-man CC[C@H](SSC)[S@](C)=O 14590134 BBBAHSPHKVIDRN-MLUIRONXSA-N 184.351 2.112 50 1 AEGF endogenous,in-man CC(C)[C@@]12C=C[C@](C)(CC1)OO2 100071405 MGYMHQJELJYRQS-NXEZZACHSA-N 168.236 2.452 50 1 AEGF endogenous,in-man C=C[C@@](C)(O)C/C=C(\OO)C(C)C 584879858 UVKPTCRFZNDVBI-ABRRARGCSA-N 186.251 2.343 50 1 AEGF in-vitro CC(=O)[C@H]1C[C@H]2C[C@@H]1C[C@@H]2N=C=S 29477819 JAFDGJGPXFVHSN-KYXWUPHJSA-N 195.287 2.093 50 1 AEGF N#C[C@@H]1C[C@H]2C[C@H]1C[C@H]2N=C=S 253704452 OZOKONRHFFNKMX-UYXSQOIJSA-N 178.260 2.027 50 1 AEGF CN(C)CC[C@H]1CCSS1 103280455 BTLSMVJTGSKFAH-ZETCQYMHSA-N 177.338 2.092 50 1 AEGF C=CC[S@](=O)S/C=C/C 39017407 UALJWNWDDJRJTL-SGRBOOSSSA-N 162.279 2.103 50 1 AEGF endogenous,in-man CC[C@@H](SSC)[S@@](C)=O 14590131 BBBAHSPHKVIDRN-CDUCUWFYSA-N 184.351 2.112 50 1 AEGF endogenous,in-man CC(C=O)=CC=CC(C)=CC=CC=O 2356743570 NOURWHKLHSWPGX-UHFFFAOYSA-N 190.242 2.389 50 1 AEGF CC(=NC1=C(C#N)CCCC1)N(C)C 2356862827 UNTCEMBBMZNOFT-UHFFFAOYSA-N 191.278 2.318 50 1 AEGF CC1=C[C@@H]2OO[C@H]1C[C@@H]2C(C)C 85666185 PAGUSKCEKZOQHZ-UTLUCORTSA-N 168.236 2.308 50 1 AEGF CC1=C[C@H]2OO[C@@H]1C[C@H]2C(C)C 137639949 PAGUSKCEKZOQHZ-IVZWLZJFSA-N 168.236 2.308 50 1 AEGF CC(C=O)=CCCC(C)=CC=O 2356308259 GRHWFPUCRVCMRY-UHFFFAOYSA-N 166.220 2.057 50 1 AEGF C/C=C/S[S@](=O)CCC 1551041 XLVMWOFYTFNDKM-HYYFJVDXSA-N 164.295 2.327 50 1 AEGF C=C(C)[C@]12C=C[C@@](C)(CC1)OO2 100781369 RWPXEQVVWFZXTC-UWVGGRQHSA-N 166.220 2.372 50 1 AEGF endogenous,in-man C=CC[S@@](=O)S/C=C/C 39017408 UALJWNWDDJRJTL-HYYFJVDXSA-N 162.279 2.103 50 1 AEGF endogenous,in-man C/C(=C\C(=O)Cl)C(C)C 39387369 NRXYVLMELQCHIM-GQCTYLIASA-N 146.617 2.354 50 1 AEGF CC=CC=CC=CC=CC=O 2356653086 ADCGETJXLJQTBY-UHFFFAOYSA-N 148.205 2.430 50 1 AEGF C[C@@H]1C=CSS1 33832604 NKTXJFKBFZWDLD-SCSAIBSYSA-N 118.226 2.284 50 1 AEGF CCCCCCC=CC=NNC(N)=O 2356704334 PUISRLAHOXDOOY-UHFFFAOYSA-N 197.282 2.167 50 1 AEGF CC/C=C/N=C=S 5761936 XDDPFUCCKIMFOG-ONEGZZNKSA-N 113.185 2.013 50 1 AEGF CN(C)C[C@H]1CCCSS1 103278731 ZNNMHHKXHXDWGQ-SSDOTTSWSA-N 177.338 2.092 50 1 AEGF CSCCC=C(C=O)CSC 2356285552 VVZWQNGEMWJSTM-UHFFFAOYSA-N 190.333 2.228 50 1 AEGF CC(=O)[C@H]1C[C@H]2C[C@@H]1[C@H](N=C=S)C2 35077615 AYUSDYWETCHGNN-QCLAVDOMSA-N 195.287 2.093 50 1 AEGF CCCCC[C@@H]1O[C@@H]1C=CC=O 2356742877 HIOMEXREAUSUBP-VHSXEESVSA-N 168.236 2.089 50 1 AEGF N#C[C@H]1C[C@H]2C[C@H]1C[C@H]2N=C=S 140792135 OZOKONRHFFNKMX-JQCXWYLXSA-N 178.260 2.027 50 1 AEGF C1CSSSC1 5134387 BVOMRRWJQOJMPA-UHFFFAOYSA-N 138.282 2.420 50 1 AEGF in-man C=C(C)[C@H]1C[C@@H]2OO[C@H]1C=C2C 103287454 VYLLQEUSXSRTJV-UTLUCORTSA-N 166.220 2.228 50 1 AEGF Cc1cc(C(=O)Cl)cc(C)c1CO 84845520 FVDGEVRGVFUNDW-UHFFFAOYSA-N 198.649 2.175 50 1 AEGF C=C[C@](C)(O)C/C=C(\OO)C(C)C 584879859 UVKPTCRFZNDVBI-MBACFSSFSA-N 186.251 2.343 50 1 AEGF in-vitro S=C1SS[C@H]2N=CC=C[C@@H]12 1656604 DRPGBRDDYIIVEA-RFZPGFLSSA-N 187.314 2.292 50 1 AEGF Nc1ccc(N=C=S)c(F)c1 40456588 DDAMHCMMWJVSPF-UHFFFAOYSA-N 168.196 2.142 50 1 AEGF CC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2N=C=S 29477817 JAFDGJGPXFVHSN-IMSYWVGJSA-N 195.287 2.093 50 1 AEGF C[C@H]1C[C@H](CN(C)C)SS1 103278815 WEUOFLGOXLMUOO-NKWVEPMBSA-N 177.338 2.090 50 1 AEGF CCOc1cccc2c1N=C=C2C#N 72187409 FKCUVPFSFPBBKA-UHFFFAOYSA-N 184.198 2.307 50 1 AEGF CC(C=O)=CCCc1ccoc1 2356483008 VOONDAZISKQGNR-UHFFFAOYSA-N 164.204 2.357 50 1 AEGF C=CC[S@@](=O)S/C=C\C 14679892 UALJWNWDDJRJTL-AZVKUDOFSA-N 162.279 2.103 50 1 AEGF endogenous,in-man CCC=CN=C=S 2356329186 XDDPFUCCKIMFOG-UHFFFAOYSA-N 113.185 2.013 50 1 AEGF CC[C@@H](SSC)[S@](C)=O 14590133 BBBAHSPHKVIDRN-SSDLBLMSSA-N 184.351 2.112 50 1 AEGF endogenous,in-man C=CCSS/C=C/C=O 33831369 MAEYCTWSMVXOQT-ZZXKWVIFSA-N 160.263 2.266 50 1 AEGF biogenic,in-vitro CC=C(C=O)C=CCC 2356624820 PRHPPBJKAONMII-UHFFFAOYSA-N 124.183 2.098 50 1 AEGF S=C1SS[C@@H]2N=CC=C[C@H]12 1656605 DRPGBRDDYIIVEA-WHFBIAKZSA-N 187.314 2.292 50 1 AEGF N#C[C@H]1C[C@H]2C[C@@H]1C[C@H]2N=C=S 29477809 OZOKONRHFFNKMX-FNCVBFRFSA-N 178.260 2.027 50 1 AEGF CCC=CCCC(=O)Cl 2356498469 XBXOEGBJQSPGKG-UHFFFAOYSA-N 146.617 2.498 50 1 AEGF N#C[C@@H]1C[C@@H]2C[C@@H]1C[C@@H]2N=C=S 169369448 OZOKONRHFFNKMX-XGEHTFHBSA-N 178.260 2.027 50 1 AEGF CS/C=C\CCN=C=S 31350917 RYSPJKHYSHFYEB-HYXAFXHYSA-N 159.279 2.356 50 1 AEGF endogenous,in-man CC(C)C(=O)OC(=O)c1ccccc1 59200316 UFIHYFWILAYCSP-UHFFFAOYSA-N 192.214 2.026 50 1 AEGF CC(=O)[C@H]1C[C@H]2C[C@H]1C[C@H]2N=C=S 253633321 JAFDGJGPXFVHSN-SGIHWFKDSA-N 195.287 2.093 50 1 AEGF CCCCC[C@H]1O[C@H]1C=CC=O 2356742878 HIOMEXREAUSUBP-ZJUUUORDSA-N 168.236 2.089 50 1 AEGF CC(C)=CC#CC(C)=CC=O 2356520145 BHYKWPJCIDMPRT-UHFFFAOYSA-N 148.205 2.101 50 1 AEGF CSSC1=CC=CCN1O 2356833204 IFHIBSDHHJPBKE-UHFFFAOYSA-N 175.278 2.100 50 1 AEGF C[C@]1(C(=O)Cl)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C 238780105 SAAKDFXJHXGSTN-RFCKSZSTSA-N 184.666 2.434 50 1 AEGF CCCCC/C=C1/C(=O)OC(=O)[C@@H]1C 1857555640 CQYSGHRICXNCSJ-KGOFQHAKSA-N 196.246 2.213 50 1 AEGF C=C(C)[C@H]1OOC(C)(C)O[C@H]1C 43463020 DXAMQHXSLXTRGT-JGVFFNPUSA-N 172.224 2.034 50 1 AEGF C1=CSSC=C1 38841204 RIYVKHUVXPAOPS-UHFFFAOYSA-N 116.210 2.409 50 1 AEGF CN(C)CC[C@@H]1CCSS1 103280454 BTLSMVJTGSKFAH-SSDOTTSWSA-N 177.338 2.092 50 1 AEGF CS/C=C/CCN=C=S 6019639 RYSPJKHYSHFYEB-HWKANZROSA-N 159.279 2.356 50 1 AEGF CC=C(C)C=C(C)C=O 2356598231 JLRXGFYYIORWGF-UHFFFAOYSA-N 124.183 2.098 50 1 AEGF CCC(N=C(C)N(C)C)=C(C)C#N 2356806871 AIGZVQHTUOMPPE-UHFFFAOYSA-N 179.267 2.174 50 1 AEGF N#C[C@H]1C[C@H]2C[C@H]1C[C@@H]2N=C=S 101232025 OZOKONRHFFNKMX-KDXUFGMBSA-N 178.260 2.027 50 1 AEGF C=CCS[S@](=O)C=CC 2356338083 MMTFXWIIILIGFN-VIFPVBQESA-N 162.279 2.103 50 1 AEGF CCCCCC[C@@]12COOC[C@@H]1O2 43562059 KNZCXZVYHJACPH-VHSXEESVSA-N 186.251 2.056 50 1 AEGF COC(C)(C)OOCCC(C)C 38158509 LVMCLLYKHJFVKY-UHFFFAOYSA-N 176.256 2.363 50 1 AEGF N#C[C@H]1C[C@@H]2C[C@@H]1C[C@@H]2N=C=S 103148353 OZOKONRHFFNKMX-XAVMHZPKSA-N 178.260 2.027 50 1 AEGF ClC(Cl)C1OCCCCCO1 103203083 MRKOFRSPZNIRKR-UHFFFAOYSA-N 199.077 2.333 50 1 AEGF CC(=O)[C@@H]1C[C@@H]2C[C@@H]1C[C@@H]2N=C=S 100802160 JAFDGJGPXFVHSN-KATARQTJSA-N 195.287 2.093 50 1 AEGF CC=CS[S@@](=O)C=CC 2356337899 GYJUUWJKEUIYPF-SECBINFHSA-N 162.279 2.451 50 1 AEGF C=C(C)[C@@]12C=C[C@](C)(CC1)OO2 100781371 RWPXEQVVWFZXTC-NXEZZACHSA-N 166.220 2.372 50 1 AEGF endogenous,in-man S=C1SS[C@H]2N=CC=C[C@H]12 1656606 DRPGBRDDYIIVEA-CRCLSJGQSA-N 187.314 2.292 50 1 AEGF CSCCCCSC#N 14766238 FUCWJZPPDWREHP-UHFFFAOYSA-N 161.295 2.344 50 1 AEGF endogenous,in-man CC(=O)[C@@H]1C[C@H]2C[C@@H](N=C=S)[C@@H]1C2 29466662 AYUSDYWETCHGNN-UTINFBMNSA-N 195.287 2.093 50 1 AEGF CN(C)C[C@@H]1CCCSS1 103278730 ZNNMHHKXHXDWGQ-ZETCQYMHSA-N 177.338 2.092 50 1 AEGF C[C@@]12CCO[C@@H]1OOC21CCCCC1 653773253 MYZYXCPONKXNJY-NXEZZACHSA-N 198.262 2.404 50 1 AEGF CC=C[S@@](=O)SCCC 2356358436 PQPRIQKDDOEUMO-VIFPVBQESA-N 164.295 2.327 50 1 AEGF CC=C[S@](=O)SCCC 2356358431 PQPRIQKDDOEUMO-SECBINFHSA-N 164.295 2.327 50 1 AEGF CC(C)=CCC=C(C=O)CC=O 2356522855 WFMDNHSSEXHQAN-UHFFFAOYSA-N 166.220 2.057 50 1 AEGF C=C1[C@H]2C[C@@H](C[C@H]1OO)C2(C)C 196005756 UQHVOBUXTHVSBI-DJLDLDEBSA-N 168.236 2.467 50 1 AEGF C/C=C\S[S@](=O)CCC 13887245 XLVMWOFYTFNDKM-AZVKUDOFSA-N 164.295 2.327 50 1 AEGF endogenous,in-man N#C[C@@H]1C[C@H]2C[C@H]1C[C@@H]2N=C=S 101232033 OZOKONRHFFNKMX-KZVJFYERSA-N 178.260 2.027 50 1 AEGF CC1=C[C@@H]2OO[C@H]1C[C@H]2C(C)C 85666183 PAGUSKCEKZOQHZ-GUBZILKMSA-N 168.236 2.308 50 1 AEGF C[C@@H]1SSC[C@H]1C 15119728 ITQDDTZGVDWZLC-UHNVWZDZSA-N 134.269 2.406 50 1 AEGF CCCC(C=O)=CC=CC[C@@H](C)O 2356614453 VOMLZYDFZMSWGX-SNVBAGLBSA-N 182.263 2.239 50 1 AEGF C=C[C@H]1C=CCSS1 13480728 UQXHSMWBRGWFBK-LURJTMIESA-N 144.264 2.492 50 1 AEGF biogenic,in-vitro S=C1SS[C@@H]2N=CC=C[C@@H]12 1656603 DRPGBRDDYIIVEA-UHNVWZDZSA-N 187.314 2.292 50 1 AEGF CC1(C)COC(C(Cl)Cl)OC1 103203087 BIMANJZHFDZDFO-UHFFFAOYSA-N 199.077 2.189 50 1 AEGF O[C@H]1CCCc2nccc(CCl)c21 2356793044 GZEHTZDKKUTPMR-VIFPVBQESA-N 197.665 2.190 50 1 AEGF O=[S@]1Cc2ccccc2CS1 231774 VORNVNVQZGBFKO-NSHDSACASA-N 184.285 2.097 50 1 AEGF C1CCC(C[C@H]2OOC[C@H]3O[C@@H]23)CC1 38158608 LHZYSZFADPFIQA-MXWKQRLJSA-N 198.262 2.055 50 1 AEGF CC[C@H](SSC)[S@@](C)=O 14590132 BBBAHSPHKVIDRN-ANLVUFKYSA-N 184.351 2.112 50 1 AEGF endogenous,in-man C/C=C\[S@@](=O)SCCC 14679946 PQPRIQKDDOEUMO-XTULLQBASA-N 164.295 2.327 50 1 AEGF endogenous,in-man CC(=O)[C@H]1C[C@H]2C[C@H]1C[C@@H]2N=C=S 103148350 JAFDGJGPXFVHSN-JLIMGVALSA-N 195.287 2.093 50 1 AEGF CC(=O)[C@@H]1C[C@H]2C[C@@H]1[C@H](N=C=S)C2 35077613 AYUSDYWETCHGNN-AATLWQCWSA-N 195.287 2.093 50 1 AEGF C1=C[C@@H](C2CCCCC2)OOC1 38158604 RCVRAHHTMNSHSE-JTQLQIEISA-N 168.236 2.453 50 1 AEGF C1=C(C2CCCCC2)COOC1 43553028 LVWFERDGQYSCNU-UHFFFAOYSA-N 168.236 2.455 50 1 AEGF C=CCS[S@](=O)/C=C/C 95618262 MMTFXWIIILIGFN-OTQAPUNGSA-N 162.279 2.103 50 1 AEGF endogenous,in-man CCCCCC/C(CC)=N\NC(N)=O 238194369 HBHGMQINEHMWLF-XFXZXTDPSA-N 199.298 2.391 50 1 AEGF C/C(=N/C1=C(C#N)CCCC1)N(C)C 4074134 UNTCEMBBMZNOFT-LCYFTJDESA-N 191.278 2.318 50 1 AEGF C1SCSS1 3876022 QHGFEUAAQKJXDI-UHFFFAOYSA-N 124.255 2.030 50 1 AEGF endogenous,in-man CCN(CC)COOC(C)(C)C 43261015 HOTXDCZANWSWCV-UHFFFAOYSA-N 175.272 2.032 50 1 AEGF