O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O	ZINC000002389524	25/33/65/374253365	SWGKAHCIOQPKFW-JTNORFRNSA-N	-2	312.23	DB	-0.447	0	Clean	ref	DBCARL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	in-man endogenous
O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004096336	07/25/51/181072551	CJGRGYBLAHPYOM-HOLMNUNMSA-N	0	310.302	DB	-0.957	0	Anodyne	ref	DBAARN	O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
OC[C@H]1O[C@@H](OC/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000013514686	54/46/18/374544618	CNNXMGXBAZQZDE-HHMSBIESSA-N	0	312.318	DB	-0.778	0	Anodyne	ref	DBAARN	OC[C@H]1O[C@@H](OC/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	in-vitro biogenic
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@H](O)C(=O)O	ZINC000014720637	28/76/70/374287670	SWGKAHCIOQPKFW-OVXAFGJRSA-N	-2	312.23	DB	-0.447	0	Clean	ref	DBCBRL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)[O-])[C@H](O)C(=O)[O-]	in-vitro biogenic
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@H](O)C(=O)O	ZINC000014720640	36/69/01/374366901	SWGKAHCIOQPKFW-LOMYTOQZSA-N	-2	312.23	DB	-0.447	0	Clean	ref	DBCARL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)[O-])[C@H](O)C(=O)[O-]	in-vitro biogenic
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@@H](O)C(=O)O	ZINC000014720642	28/73/90/374287390	SWGKAHCIOQPKFW-BOCAPUTCSA-N	-2	312.23	DB	-0.447	0	Clean	ref	DBCBRL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	in-vitro biogenic
CC[C@H](C)[C@@H](C[C@@H](O)CC(=O)O)O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000031167794	64/25/41/382642541	ZTBNLEYFQBESKP-CQXLFCRXSA-N	-1	322.354	DB	-0.918	0	Anodyne	ref	DBAERM	CC[C@H](C)[C@@H](C[C@@H](O)CC(=O)[O-])O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	 
CC[C@H](C)[C@H](C[C@@H](O)CC(=O)O)O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000031167802	64/29/82/382642982	ZTBNLEYFQBESKP-JTKNTLBKSA-N	-1	322.354	DB	-0.918	0	Anodyne	ref	DBAERM	CC[C@H](C)[C@H](C[C@@H](O)CC(=O)[O-])O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	 
C[C@](O)(C(=O)O)[C@@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000031168242	64/28/98/382642898	RUEPXZDDWQCITK-IVDNPREJSA-N	-1	312.274	DB	-0.149	0	Clean	ref	DBCARM	C[C@](O)(C(=O)[O-])[C@@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	in-vitro biogenic
C[C@@](O)(C(=O)O)[C@@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000031168245	60/79/34/182607934	RUEPXZDDWQCITK-ACIZLPDLSA-N	-1	312.274	DB	-0.149	0	Clean	ref	DBCARM	C[C@@](O)(C(=O)[O-])[C@@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	in-vitro biogenic
C[C@](O)(C(=O)O)[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000031168249	64/29/97/382642997	RUEPXZDDWQCITK-UOLJMSNASA-N	-1	312.274	DB	-0.149	0	Clean	ref	DBCARM	C[C@](O)(C(=O)[O-])[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	in-vitro biogenic
C[C@@](O)(C(=O)O)[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000031168253	64/29/05/382642905	RUEPXZDDWQCITK-HTDMEAKDSA-N	-1	312.274	DB	-0.149	0	Clean	ref	DBCARM	C[C@@](O)(C(=O)[O-])[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	in-vitro biogenic
COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000034188478	31/22/41/375312241	PPMFGYVKUDCWRQ-UXXRCYHCSA-N	0	314.334	DB	-0.946	0	Anodyne	ref	DBAERN	COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	 
CC[C@H](C)[C@@H](C[C@H](O)CC(=O)O)O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000035464763	26/89/60/374268960	ZTBNLEYFQBESKP-FQEZBEIASA-N	-1	322.354	DB	-0.918	0	Anodyne	ref	DBAERM	CC[C@H](C)[C@@H](C[C@H](O)CC(=O)[O-])O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	 
CC[C@H](C)[C@H](C[C@H](O)CC(=O)O)O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000035464769	71/49/64/287714964	ZTBNLEYFQBESKP-WEDRTPPESA-N	-1	322.354	DB	-0.918	0	Anodyne	ref	DBAERM	CC[C@H](C)[C@H](C[C@H](O)CC(=O)[O-])O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	 
CC(=O)c1c(C)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000067913321	66/74/32/382667432	JAFYVMQCMOZABG-TVKJYDDYSA-N	0	312.318	DB	-0.624	0	Anodyne	ref	DBAARN	CC(=O)c1c(C)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC/C=C\C[C@H](O)C[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000067913867	66/75/62/382667562	MVSLEBWICBVZBS-FVVHNKKVSA-N	0	320.382	DB	-0.701	0	Anodyne	ref	DBAARN	CC/C=C\C[C@H](O)C[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC/C=C\C[C@@H](O)C[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000067913869	66/75/40/382667540	MVSLEBWICBVZBS-LUKQAKGHSA-N	0	320.382	DB	-0.701	0	Anodyne	ref	DBAARN	CC/C=C\C[C@@H](O)C[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC/C=C\C[C@H](O)C[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000067913872	66/77/01/382667701	MVSLEBWICBVZBS-FYUKJCOZSA-N	0	320.382	DB	-0.701	0	Anodyne	ref	DBAARN	CC/C=C\C[C@H](O)C[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC/C=C\C[C@@H](O)C[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000067913873	66/77/43/382667743	MVSLEBWICBVZBS-INBKSOBNSA-N	0	320.382	DB	-0.701	0	Anodyne	ref	DBAARN	CC/C=C\C[C@@H](O)C[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC/C=C\C[C@@H](CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000514288019	21/60/46/257216046	KASAEGRSKHTUII-NUBNADBCSA-N	-1	320.338	DB	-0.997	0	Anodyne	ref	DBAARM	CC/C=C\C[C@@H](CC(=O)[O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC/C=C\C[C@H](CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000514288021	21/64/53/257216453	KASAEGRSKHTUII-QTIIHNBJSA-N	-1	320.338	DB	-0.997	0	Anodyne	ref	DBAARM	CC/C=C\C[C@H](CC(=O)[O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic