C/C=C(/C)C(=O)O[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000000028038	83/12/25/276831225	RRHCDWLSHIIIIT-GHAIFCDISA-N	0	328.364	EG	3.385	0	Anodyne	ref	EGAARN	C/C=C(/C)C(=O)O[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C	in-vitro biogenic
C/C=C(/C)C(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000000028040	49/11/14/452491114	RRHCDWLSHIIIIT-NVWZYQMFSA-N	0	328.364	EG	3.385	0	Anodyne	ref	EGAARN	C/C=C(/C)C(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C	in-vitro biogenic
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1	ZINC000000265434	54/99/27/452549927	URSUMOWUGDXZHU-UHFFFAOYSA-N	0	342.347	EG	3.494	0	Anodyne	ref	EGAARN	COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1	in-man endogenous
CC1=C[C@@H](C/C(C)=C/COc2ccc3ccc(=O)oc3c2)OC1=O	ZINC000001583490	67/00/13/452670013	CFNMUZCFSDMZPQ-NYUWMOHMSA-N	0	326.348	EG	3.38	0	Anodyne	ref	EGAARN	CC1=C[C@@H](C/C(C)=C/COc2ccc3ccc(=O)oc3c2)OC1=O	in-vitro biogenic
CC1=C[C@H](C/C(C)=C/COc2ccc3ccc(=O)oc3c2)OC1=O	ZINC000001583492	67/02/60/452670260	CFNMUZCFSDMZPQ-MZTACXPWSA-N	0	326.348	EG	3.38	0	Anodyne	ref	EGAARN	CC1=C[C@H](C/C(C)=C/COc2ccc3ccc(=O)oc3c2)OC1=O	in-vitro biogenic
COc1ccc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2c1	ZINC000001591447	76/27/52/209762752	MSPWKPQQHHCXLR-UHFFFAOYSA-N	0	326.304	EG	3.206	0	Anodyne	ref	EGAERN	COc1ccc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2c1	in-vitro
COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2	ZINC000001651264	67/29/97/452672997	IDQUPXZJURZAGF-ZDUSSCGKSA-N	1	341.407	EG	3.17	1	Anodyne	mid	EGAAMO	COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3[N@@H+](C)CC2	in-vitro biogenic
COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2	ZINC000001651264	67/29/87/452672987	IDQUPXZJURZAGF-ZDUSSCGKSA-N	1	341.407	EG	3.17	1	Anodyne	mid	EGAAMO	COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3[N@H+](C)CC2	in-vitro biogenic
COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2	ZINC000001651264	67/29/75/452672975	IDQUPXZJURZAGF-ZDUSSCGKSA-N	0	341.407	EG	3.17	0	Anodyne	ref	EGAARN	COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2	in-vitro biogenic
COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@H]3N(C)CC2	ZINC000001665312	67/19/82/452671982	IDQUPXZJURZAGF-CYBMUJFWSA-N	1	341.407	EG	3.17	1	Anodyne	mid	EGAAMO	COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@H]3[N@@H+](C)CC2	in-vitro biogenic
COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@H]3N(C)CC2	ZINC000001665312	67/19/73/452671973	IDQUPXZJURZAGF-CYBMUJFWSA-N	1	341.407	EG	3.17	1	Anodyne	mid	EGAAMO	COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@H]3[N@H+](C)CC2	in-vitro biogenic
COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@H]3N(C)CC2	ZINC000001665312	67/19/55/452671955	IDQUPXZJURZAGF-CYBMUJFWSA-N	0	341.407	EG	3.17	0	Anodyne	ref	EGAARN	COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@H]3N(C)CC2	in-vitro biogenic
C/C=C(/C)C(=O)OC(C)(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1	ZINC000002008857	68/28/49/452682849	JRIBPWOXWIRQOQ-NVWZYQMFSA-N	0	328.364	EG	3.385	0	Anodyne	ref	EGAARN	C/C=C(/C)C(=O)OC(C)(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1	in-vitro biogenic
C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1	ZINC000002160400	68/87/17/452688717	HHNCJFKRMZDTHW-XKGFZTIGSA-N	0	328.364	EG	3.385	0	Anodyne	ref	EGAARN	C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1	in-vitro biogenic
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2	ZINC000003779067	14/13/54/274141354	YBHILYKTIRIUTE-UHFFFAOYSA-N	1	336.367	EG	3.096	0	Anodyne	ref	EGAARO	COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2	world metabolite
CC(C)=CC(=O)OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1	ZINC000004083543	79/34/77/452793477	PQCLZBCFLJVBGA-MRXNPFEDSA-N	0	328.364	EG	3.385	0	Anodyne	ref	EGAARN	CC(C)=CC(=O)OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1	in-vitro biogenic
CC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	ZINC000005082114	38/64/72/210386472	NVVDQMVGALBDGE-AFAMQEBYSA-N	0	338.451	EG	3.255	3	Anodyne	high	EGABHN	CC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	in-vitro biogenic
CC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	ZINC000005082114	38/64/66/210386466	NVVDQMVGALBDGE-AFAMQEBYSA-N	0	338.451	EG	3.255	1	Anodyne	mid	EGABMN	CC[C@@H]1C[C@@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	in-vitro biogenic
CC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	ZINC000005082114	38/64/62/210386462	NVVDQMVGALBDGE-AFAMQEBYSA-N	1	338.451	EG	3.255	0	Anodyne	ref	EGABRO	CC[C@@H]1C[C@@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	in-vitro biogenic
CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	ZINC000005082116	38/67/94/210386794	NVVDQMVGALBDGE-JHUWSKFTSA-N	0	338.451	EG	3.255	3	Anodyne	high	EGABHN	CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	in-vitro biogenic
CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	ZINC000005082116	38/67/88/210386788	NVVDQMVGALBDGE-JHUWSKFTSA-N	1	338.451	EG	3.255	1	Anodyne	mid	EGABMO	CC[C@H]1C[C@@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	in-vitro biogenic
CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	ZINC000005082116	38/67/84/210386784	NVVDQMVGALBDGE-JHUWSKFTSA-N	0	338.451	EG	3.255	0	Anodyne	ref	EGABRN	CC[C@H]1C[C@@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13	in-vitro biogenic
C/C=C(/C)C(=O)OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1	ZINC000005132543	39/73/33/210397333	HHNCJFKRMZDTHW-YLBKJFSISA-N	0	328.364	EG	3.385	0	Anodyne	ref	EGAARN	C/C=C(/C)C(=O)OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1	in-vitro biogenic
C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1	ZINC000005179146	40/74/33/210407433	JRIBPWOXWIRQOQ-GHAIFCDISA-N	0	328.364	EG	3.385	0	Anodyne	ref	EGAARN	C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1	in-vitro biogenic
CC(C)=CC(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1	ZINC000005817054	90/28/41/452902841	PQCLZBCFLJVBGA-INIZCTEOSA-N	0	328.364	EG	3.385	0	Anodyne	ref	EGAARN	CC(C)=CC(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1	in-vitro biogenic
COc1c(O)c(C(=O)/C=C/c2ccccc2)c(OC)c(OC)c1OC	ZINC000005998576	91/53/53/452915353	LETBAZLAGJPEIM-ZHACJKMWSA-N	-1	344.363	EG	3.323	3	Mild	high	EGEAHM	COc1c([O-])c(C(=O)/C=C/c2ccccc2)c(OC)c(OC)c1OC	in-vitro biogenic
COc1c(O)c(C(=O)/C=C/c2ccccc2)c(OC)c(OC)c1OC	ZINC000005998576	91/53/34/452915334	LETBAZLAGJPEIM-ZHACJKMWSA-N	0	344.363	EG	3.323	0	Mild	ref	EGEARN	COc1c(O)c(C(=O)/C=C/c2ccccc2)c(OC)c(OC)c1OC	in-vitro biogenic
C[C@@H]1C[C@H]2OC(=O)C3=C2[C@@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000006031406	84/48/16/257844816	XJRMFKRYVTYFPN-BUQKYKDUSA-N	0	328.364	EG	3.316	0	Anodyne	ref	EGAARN	C[C@@H]1C[C@H]2OC(=O)C3=C2[C@@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O	in-vitro biogenic
CC(C)(O)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@@]21C	ZINC000013302734	45/76/72/453457672	ALGYTGOYQATWBA-ACZWYYKOSA-N	-1	332.44	EG	3.5	0	Anodyne	ref	EGABRM	CC(C)(O)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]21C	in-vitro biogenic
CC(C)(O)c1ccc2c(c1)[C@@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O	ZINC000013302736	54/21/87/211542187	ALGYTGOYQATWBA-LNKGRISISA-N	-1	332.44	EG	3.5	0	Anodyne	ref	EGABRM	CC(C)(O)c1ccc2c(c1)[C@@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)[O-]	in-vitro biogenic
CC(C)(O)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@@]21C	ZINC000013302740	45/78/91/453457891	ALGYTGOYQATWBA-JSJNYSNDSA-N	-1	332.44	EG	3.5	0	Anodyne	ref	EGABRM	CC(C)(O)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@@](C)(C(=O)[O-])CCC[C@@]21C	in-vitro biogenic
CC(C)(O)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C	ZINC000013302741	45/78/39/453457839	ALGYTGOYQATWBA-FIYPYCPBSA-N	-1	332.44	EG	3.5	0	Anodyne	ref	EGABRM	CC(C)(O)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C	in-vitro biogenic
O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1	ZINC000013377934	46/14/91/453461491	VWHYFMQKJYFLCC-DUXPYHPUSA-N	0	328.364	EG	3.2	0	Mild	ref	EGEARN	O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1	in-vitro biogenic
O=C(CCCCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1	ZINC000013377936	38/46/52/207384652	UHRUXUCWHIGENP-UHFFFAOYSA-N	0	330.38	EG	3.424	0	Clean	ref	EGCARN	O=C(CCCCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1	in-vitro biogenic
CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C	ZINC000014410964	53/57/08/453535708	ALGYTGOYQATWBA-GJJHYRHESA-N	-1	332.44	EG	3.5	0	Anodyne	ref	EGAARM	CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C	in-vitro biogenic
C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H](O)C(C)(C)O	ZINC000014587259	54/04/12/453540412	QYYKWTUUCOTGNS-JIIJFUIFSA-N	0	332.396	EG	3.03	0	Anodyne	ref	EGAARN	C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H](O)C(C)(C)O	in-man endogenous
C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@H](O)C(C)(C)O	ZINC000014587260	53/98/41/453539841	QYYKWTUUCOTGNS-RTGRKSDTSA-N	0	332.396	EG	3.03	0	Anodyne	ref	EGABRN	C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@H](O)C(C)(C)O	in-man endogenous
COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1Cl	ZINC000014647535	54/07/61/453540761	DSJPUSRRLBBBAS-UHFFFAOYSA-N	-3	338.743	EG	3.013	3	Anodyne	high	EGABHL	COc1cc([O-])c(C(=O)c2c(C)cc([O-])cc2OC)c([O-])c1Cl	in-vitro biogenic
COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1Cl	ZINC000014647535	54/07/58/453540758	DSJPUSRRLBBBAS-UHFFFAOYSA-N	-1	338.743	EG	3.013	1	Anodyne	mid	EGABMM	COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c([O-])c1Cl	in-vitro biogenic
COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1Cl	ZINC000014647535	54/07/41/453540741	DSJPUSRRLBBBAS-UHFFFAOYSA-N	-2	338.743	EG	3.013	0	Anodyne	ref	EGABRL	COc1cc([O-])c(C(=O)c2c(C)cc(O)cc2OC)c([O-])c1Cl	in-vitro biogenic
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2O	ZINC000014688348	41/36/11/574413611	LCAZOMIGFDQMNC-OYRIPWCXSA-N	0	346.423	EG	3.258	0	Clean	ref	EGCARN	CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2O	in-man endogenous
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@H]2O	ZINC000014688350	41/36/14/574413614	LCAZOMIGFDQMNC-MCNSXXNHSA-N	0	346.423	EG	3.258	0	Clean	ref	EGCARN	CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@H]2O	in-man endogenous
CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32	ZINC000014719345	54/22/74/453542274	FNGGIPWAZSFKCN-PCCBWWKXSA-N	1	336.435	EG	3.221	1	Anodyne	mid	EGAAMO	CC[C@]12C=CC[N@@H+]3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32	in-vitro biogenic
CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32	ZINC000014719345	54/22/65/453542265	FNGGIPWAZSFKCN-PCCBWWKXSA-N	1	336.435	EG	3.221	0	Anodyne	ref	EGAARO	CC[C@]12C=CC[N@H+]3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32	in-vitro biogenic
COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3N(C)CC2	ZINC000014725343	54/19/88/453541988	KJAVJETZYFENNG-ZDUSSCGKSA-N	1	341.407	EG	3.17	1	Anodyne	mid	EGAAMO	COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3[N@@H+](C)CC2	in-vitro biogenic
COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3N(C)CC2	ZINC000014725343	54/19/81/453541981	KJAVJETZYFENNG-ZDUSSCGKSA-N	1	341.407	EG	3.17	1	Anodyne	mid	EGAAMO	COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3[N@H+](C)CC2	in-vitro biogenic
COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3N(C)CC2	ZINC000014725343	54/19/68/453541968	KJAVJETZYFENNG-ZDUSSCGKSA-N	0	341.407	EG	3.17	0	Anodyne	ref	EGAARN	COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3N(C)CC2	in-vitro biogenic
COc1cccc(OC)c1-c1cc(=O)c2c(OC)c(OC)ccc2o1	ZINC000014756841	54/37/83/453543783	PBQMALAAFQMDSP-UHFFFAOYSA-N	0	342.347	EG	3.494	0	Anodyne	ref	EGAARN	COc1cccc(OC)c1-c1cc(=O)c2c(OC)c(OC)ccc2o1	in-man endogenous
CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@@]31O	ZINC000014824332	54/49/25/453544925	ZBTYHECJEINCMD-UYAOXDASSA-N	0	338.359	EG	3.29	0	Anodyne	ref	EGAARN	CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@@]31O	in-vitro biogenic
CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1c2ccc(O)cc2OC[C@@]31O	ZINC000014824334	84/48/55/257844855	ZBTYHECJEINCMD-AZUAARDMSA-N	0	338.359	EG	3.29	0	Anodyne	ref	EGAARN	CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1c2ccc(O)cc2OC[C@@]31O	in-vitro biogenic
CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@]31O	ZINC000014824336	54/45/63/453544563	ZBTYHECJEINCMD-QUCCMNQESA-N	0	338.359	EG	3.29	0	Anodyne	ref	EGAARN	CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@]31O	in-vitro biogenic
CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1c2ccc(O)cc2OC[C@]31O	ZINC000014824338	54/51/43/453545143	ZBTYHECJEINCMD-ICSRJNTNSA-N	0	338.359	EG	3.29	0	Anodyne	ref	EGAARN	CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1c2ccc(O)cc2OC[C@]31O	in-vitro biogenic
COc1cc(CCCOC(=O)CCc2ccc(O)cc2)ccc1O	ZINC000015113258	55/78/25/453557825	ZXQHQUXJMNGVJP-UHFFFAOYSA-N	0	330.38	EG	3.215	0	Anodyne	ref	EGAARN	COc1cc(CCCOC(=O)CCc2ccc(O)cc2)ccc1O	in-vitro biogenic
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3=O	ZINC000031157838	20/29/26/202202926	UXVPWKDITRJELA-CLWJZODNSA-N	0	346.423	EG	3.258	0	Clean	ref	EGCARN	CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3=O	in-man endogenous
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@@H]2OC3=O	ZINC000031157843	20/29/33/202202933	UXVPWKDITRJELA-XLSPSMHOSA-N	0	346.423	EG	3.258	0	Clean	ref	EGCARN	CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@@H]2OC3=O	in-man endogenous
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2O	ZINC000031157848	84/02/68/453840268	LCAZOMIGFDQMNC-PYQAKABTSA-N	0	346.423	EG	3.258	0	Clean	ref	EGCARN	CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2O	in-man biogenic
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O	ZINC000031157853	72/50/70/212725070	LCAZOMIGFDQMNC-FORWCCJISA-N	0	346.423	EG	3.258	0	Clean	ref	EGCARN	CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O	in-vitro biogenic
C=CCCCCCCCC[C@H](C(=O)O)[C@@]1(C(=O)O)CCC(=O)O1	ZINC000031159836	82/79/03/277827903	RWDDRQIEJMAIIY-CXAGYDPISA-N	-2	326.389	EG	3.154	0	Mild	ref	EGEARL	C=CCCCCCCCC[C@H](C(=O)[O-])[C@@]1(C(=O)[O-])CCC(=O)O1	in-vitro biogenic
C=CCCCCCCCC[C@@H](C(=O)O)[C@@]1(C(=O)O)CCC(=O)O1	ZINC000031159840	69/97/30/518699730	RWDDRQIEJMAIIY-SUMWQHHRSA-N	-2	326.389	EG	3.154	0	Mild	ref	EGEARL	C=CCCCCCCCC[C@@H](C(=O)[O-])[C@@]1(C(=O)[O-])CCC(=O)O1	in-vitro biogenic
C=CCCCCCCCC[C@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1	ZINC000031159845	69/92/75/518699275	RWDDRQIEJMAIIY-DYVFJYSZSA-N	-2	326.389	EG	3.154	0	Mild	ref	EGEARL	C=CCCCCCCCC[C@H](C(=O)[O-])[C@]1(C(=O)[O-])CCC(=O)O1	in-vitro biogenic
C=CCCCCCCCC[C@@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1	ZINC000031159849	72/51/55/212725155	RWDDRQIEJMAIIY-GUYCJALGSA-N	-2	326.389	EG	3.154	0	Mild	ref	EGEARL	C=CCCCCCCCC[C@@H](C(=O)[O-])[C@]1(C(=O)[O-])CCC(=O)O1	in-vitro biogenic
C[C@@H]1CC[C@]2(C)[C@@H](C[C@@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCc1ccoc1	ZINC000031160074	84/02/17/453840217	DORFFLQTHPKFDY-LEGXYDGLSA-N	0	334.456	EG	3.165	0	Mild	ref	EGEARN	C[C@@H]1CC[C@]2(C)[C@@H](C[C@@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCc1ccoc1	in-vitro biogenic
C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCc1ccoc1	ZINC000031160077	72/46/17/212724617	DORFFLQTHPKFDY-LHSFGFEGSA-N	0	334.456	EG	3.165	0	Mild	ref	EGEARN	C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCc1ccoc1	in-vitro biogenic
COc1cc(O)c(C(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1	ZINC000031166035	84/05/78/453840578	MQEOTHTYNCMSAN-UHFFFAOYSA-N	0	346.379	EG	3.242	0	Anodyne	ref	EGAARN	COc1cc(O)c(C(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1	in-vitro biogenic
CC[C@@H](C)C(=O)Oc1cc(C)ccc1[C@@]1(COC(=O)C(C)C)CO1	ZINC000031168811	84/06/52/453840652	CRVMDMUWJDBHRG-AUUYWEPGSA-N	0	334.412	EG	3.371	0	Mild	ref	EGEARN	CC[C@@H](C)C(=O)Oc1cc(C)ccc1[C@@]1(COC(=O)C(C)C)CO1	in-vitro biogenic
CC[C@H](C)C(=O)Oc1cc(C)ccc1[C@@]1(COC(=O)C(C)C)CO1	ZINC000031168815	84/03/15/453840315	CRVMDMUWJDBHRG-IFXJQAMLSA-N	0	334.412	EG	3.371	0	Mild	ref	EGEARN	CC[C@H](C)C(=O)Oc1cc(C)ccc1[C@@]1(COC(=O)C(C)C)CO1	in-vitro biogenic
CC[C@@H](C)C(=O)Oc1cc(C)ccc1[C@]1(COC(=O)C(C)C)CO1	ZINC000031168818	84/03/92/453840392	CRVMDMUWJDBHRG-KUHUBIRLSA-N	0	334.412	EG	3.371	0	Mild	ref	EGEARN	CC[C@@H](C)C(=O)Oc1cc(C)ccc1[C@]1(COC(=O)C(C)C)CO1	in-vitro biogenic
CC[C@H](C)C(=O)Oc1cc(C)ccc1[C@]1(COC(=O)C(C)C)CO1	ZINC000031168822	84/05/67/453840567	CRVMDMUWJDBHRG-LIRRHRJNSA-N	0	334.412	EG	3.371	0	Mild	ref	EGEARN	CC[C@H](C)C(=O)Oc1cc(C)ccc1[C@]1(COC(=O)C(C)C)CO1	in-vitro biogenic
CC(C)(O)[C@@H]1Cc2c(ccc(C(=O)CCc3ccccc3)c2O)O1	ZINC000031170207	84/10/95/453841095	KJGFSBFWTFFRGB-SFHVURJKSA-N	0	326.392	EG	3.282	0	Anodyne	ref	EGABRN	CC(C)(O)[C@@H]1Cc2c(ccc(C(=O)CCc3ccccc3)c2O)O1	in-vitro biogenic
CC(C)(O)[C@H]1Cc2c(ccc(C(=O)CCc3ccccc3)c2O)O1	ZINC000031170210	84/10/09/453841009	KJGFSBFWTFFRGB-GOSISDBHSA-N	0	326.392	EG	3.282	0	Anodyne	ref	EGABRN	CC(C)(O)[C@H]1Cc2c(ccc(C(=O)CCc3ccccc3)c2O)O1	in-vitro biogenic
C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@]13C[C@H](CC[C@H]21)[C@](O)(CO)C3	ZINC000033698794	96/01/96/212960196	MRBLTWPEPGRXQN-COGHNSAZSA-N	-1	336.472	EG	3.207	0	Anodyne	ref	EGABRM	C[C@@]12CCC[C@@](C)(C(=O)[O-])[C@@H]1CC[C@]13C[C@H](CC[C@H]21)[C@](O)(CO)C3	in-vitro biogenic
C[C@@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO	ZINC000033698796	91/67/87/453916787	MRBLTWPEPGRXQN-AEQHSMIFSA-N	-1	336.472	EG	3.207	0	Anodyne	ref	EGABRM	C[C@@]1(C(=O)[O-])CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO	in-vitro biogenic
C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO	ZINC000033698798	91/65/61/453916561	MRBLTWPEPGRXQN-VCPRAHGGSA-N	-1	336.472	EG	3.207	0	Anodyne	ref	EGABRM	C[C@]1(C(=O)[O-])CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO	in-vitro biogenic
C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO	ZINC000033698799	91/66/47/453916647	MRBLTWPEPGRXQN-QRLTUTTESA-N	-1	336.472	EG	3.207	0	Anodyne	ref	EGABRM	C[C@]1(C(=O)[O-])CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO	in-vitro biogenic
C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3)CO	ZINC000033955878	73/04/27/277730427	KOATXBNOVXBDJE-GMOSXKBTSA-N	0	346.467	EG	3.445	0	Mild	ref	EGEARN	C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3)CO	 
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O	ZINC000034199333	97/58/70/212975870	SWVDNEGGBBYXGS-UWVAXJGDSA-N	-1	344.407	EG	3.407	3	Clean	high	EGCAHM	CC(C)c1cc2c(c(O)c1[O-])[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O	in-vitro biogenic
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O	ZINC000034199333	97/58/64/212975864	SWVDNEGGBBYXGS-UWVAXJGDSA-N	0	344.407	EG	3.407	0	Clean	ref	EGCARN	CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O	in-vitro biogenic
C[C@@]1(O)[C@@H](O)CC[C@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C	ZINC000035454694	02/85/26/213028526	RBEATXBLUJTDQZ-LLCOKINKSA-N	0	348.439	EG	3.212	0	Anodyne	ref	EGABRN	C[C@@]1(O)[C@@H](O)CC[C@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C	in-vitro biogenic
C[C@@]1(O)[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C	ZINC000035454698	02/86/93/213028693	RBEATXBLUJTDQZ-KNEKMNIZSA-N	0	348.439	EG	3.212	0	Anodyne	ref	EGABRN	C[C@@]1(O)[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C	in-vitro biogenic
C[C@@]1(O)[C@@H](O)CC[C@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@@H]3CC[C@]21C	ZINC000035454702	02/86/63/213028663	RBEATXBLUJTDQZ-BSIBEFJDSA-N	0	348.439	EG	3.212	0	Anodyne	ref	EGABRN	C[C@@]1(O)[C@@H](O)CC[C@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@@H]3CC[C@]21C	in-vitro biogenic
C[C@@]1(O)[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	ZINC000035454705	02/89/64/213028964	RBEATXBLUJTDQZ-IMDGIPCPSA-N	0	348.439	EG	3.212	0	Anodyne	ref	EGABRN	C[C@@]1(O)[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	in-vitro biogenic
CCCCCCC[C@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)O	ZINC000038139745	06/84/36/520068436	FITAKYVPWCVTII-XPVQVTDFSA-N	-1	330.465	EG	3.021	0	Mild	ref	EGEARM	CCCCCCC[C@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)[O-]	in-vitro biogenic
CCCCCCC[C@@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)O	ZINC000038139746	06/63/74/520066374	FITAKYVPWCVTII-UKHAXTBBSA-N	-1	330.465	EG	3.021	0	Mild	ref	EGEBRM	CCCCCCC[C@@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)[O-]	in-vitro biogenic
CCCCCCC[C@H](O)/C=C\[C@@H](O)CC[C@H](O)CCCC(=O)O	ZINC000038139747	06/87/05/520068705	FITAKYVPWCVTII-VLNXTNLNSA-N	-1	330.465	EG	3.021	0	Mild	ref	EGEARM	CCCCCCC[C@H](O)/C=C\[C@@H](O)CC[C@H](O)CCCC(=O)[O-]	in-vitro biogenic
CCCCCCC[C@@H](O)/C=C\[C@@H](O)CC[C@H](O)CCCC(=O)O	ZINC000038139748	06/64/90/520066490	FITAKYVPWCVTII-UPLOWZDMSA-N	-1	330.465	EG	3.021	0	Mild	ref	EGEBRM	CCCCCCC[C@@H](O)/C=C\[C@@H](O)CC[C@H](O)CCCC(=O)[O-]	in-vitro biogenic
CCCCCCCCCC[C@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1	ZINC000038139796	94/00/24/453940024	TUXHHVJPGQUPCF-DYVFJYSZSA-N	-2	328.405	EG	3.378	0	Mild	ref	EGEARL	CCCCCCCCCC[C@H](C(=O)[O-])[C@]1(C(=O)[O-])CCC(=O)O1	in-vitro biogenic
CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O	ZINC000038230161	20/58/54/213205854	ALGYTGOYQATWBA-XNFNUYLZSA-N	-1	332.44	EG	3.5	0	Anodyne	ref	EGAARM	CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)[O-]	in-vitro biogenic
CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O	ZINC000038230162	13/25/67/202132567	ALGYTGOYQATWBA-WOUAJJJCSA-N	-1	332.44	EG	3.5	0	Anodyne	ref	EGAARM	CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)[O-]	in-vitro biogenic
CC/C=C\C[C@H](O)[C@H](O)CC[C@H](O)CCCCCCCC(=O)O	ZINC000039560146	24/03/70/213240370	DNWUYCUUEGGVPR-KFSTWGEGSA-N	-1	330.465	EG	3.021	0	Anodyne	ref	EGAARM	CC/C=C\C[C@H](O)[C@H](O)CC[C@H](O)CCCCCCCC(=O)[O-]	in-vitro biogenic
CC/C=C\C[C@@H](O)[C@H](O)CC[C@H](O)CCCCCCCC(=O)O	ZINC000039560147	16/30/56/202163056	DNWUYCUUEGGVPR-AAXZMQGJSA-N	-1	330.465	EG	3.021	0	Anodyne	ref	EGABRM	CC/C=C\C[C@@H](O)[C@H](O)CC[C@H](O)CCCCCCCC(=O)[O-]	in-vitro biogenic
CC/C=C\C[C@H](O)[C@@H](O)CC[C@H](O)CCCCCCCC(=O)O	ZINC000039560148	16/32/05/202163205	DNWUYCUUEGGVPR-IWILAFCFSA-N	-1	330.465	EG	3.021	0	Anodyne	ref	EGAARM	CC/C=C\C[C@H](O)[C@@H](O)CC[C@H](O)CCCCCCCC(=O)[O-]	in-vitro biogenic
CC/C=C\C[C@@H](O)[C@@H](O)CC[C@H](O)CCCCCCCC(=O)O	ZINC000039560149	16/29/08/202162908	DNWUYCUUEGGVPR-LBSYWRCJSA-N	-1	330.465	EG	3.021	0	Anodyne	ref	EGABRM	CC/C=C\C[C@@H](O)[C@@H](O)CC[C@H](O)CCCCCCCC(=O)[O-]	in-vitro biogenic
COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](C)[C@]2(C)O)ccc1O	ZINC000049181034	03/77/77/295037777	XQAQIFDOJYUBEV-WFRWYCSKSA-N	0	344.407	EG	3.19	0	Anodyne	ref	EGABRN	COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](C)[C@]2(C)O)ccc1O	in-vitro biogenic
COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H](C)[C@]2(C)O)ccc1O	ZINC000049181037	37/24/77/204372477	XQAQIFDOJYUBEV-JSKJEHKMSA-N	0	344.407	EG	3.19	0	Anodyne	ref	EGABRN	COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H](C)[C@]2(C)O)ccc1O	in-vitro biogenic
COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](C)[C@]2(C)O)ccc1O	ZINC000049181040	02/18/95/295021895	XQAQIFDOJYUBEV-LAOHPYGUSA-N	0	344.407	EG	3.19	0	Anodyne	ref	EGAARN	COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](C)[C@]2(C)O)ccc1O	in-vitro biogenic
COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](C)[C@]2(C)O)ccc1O	ZINC000049181043	38/85/22/277388522	XQAQIFDOJYUBEV-LDZBWSAGSA-N	0	344.407	EG	3.19	0	Anodyne	ref	EGAARN	COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](C)[C@]2(C)O)ccc1O	in-vitro biogenic
Cc1cc(O)cc(Oc2cc(C)c(C[C@H](O)C(C)(C)O)c(O)c2)c1	ZINC000049181623	53/89/24/454538924	FLLRZSQAKUHACV-SFHVURJKSA-N	0	332.396	EG	3.181	0	Anodyne	ref	EGAARN	Cc1cc(O)cc(Oc2cc(C)c(C[C@H](O)C(C)(C)O)c(O)c2)c1	in-vitro biogenic
Cc1cc(O)cc(Oc2cc(C)c(C[C@@H](O)C(C)(C)O)c(O)c2)c1	ZINC000049181626	37/23/20/204372320	FLLRZSQAKUHACV-GOSISDBHSA-N	0	332.396	EG	3.181	0	Anodyne	ref	EGAARN	Cc1cc(O)cc(Oc2cc(C)c(C[C@@H](O)C(C)(C)O)c(O)c2)c1	in-vitro biogenic
C/C=C(/C)C(=O)O[C@@H]1C(=O)c2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000049601313	73/36/35/277733635	PGOMXBOHQUBUMI-OCKNTNFFSA-N	0	342.347	EG	3.025	0	Anodyne	ref	EGAARN	C/C=C(/C)C(=O)O[C@@H]1C(=O)c2c(ccc3ccc(=O)oc23)OC1(C)C	in-vitro biogenic
C/C=C(/C)C(=O)O[C@H]1C(=O)c2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000049601314	55/33/06/454553306	PGOMXBOHQUBUMI-VTGFLYEISA-N	0	342.347	EG	3.025	0	Anodyne	ref	EGAARN	C/C=C(/C)C(=O)O[C@H]1C(=O)c2c(ccc3ccc(=O)oc23)OC1(C)C	in-vitro biogenic