smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc([O-])c(CC=C(C)C)c3O2)cc(O)c1O	ZINC000005854653	291287551	/nfs/dbraw/zinc/28/75/51/291287551.db2.gz	HCBKENVWCDLQOA-JOCHJYFZSA-N	-1	1	424.493	5.233	1	10	endogenous,in-man	HKCFMM
CC(C)=CCCC(C)=CCc1c(O)c(O)ccc1CCC(=O)c1ccc([O-])cc1O	ZINC000013340429	571697993	/nfs/dbraw/zinc/69/79/93/571697993.db2.gz	FVNFXIPJDHVJGE-REZTVBANSA-N	-1	1	410.510	5.560	1	10	endogenous,in-man	HKCFMM
CC(C)=CCCC(C)=CCc1c(O)c(O)ccc1[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1	ZINC000014615806	560223159	/nfs/dbraw/zinc/22/31/59/560223159.db2.gz	ILCMVLORKWIOOH-CEMXSPGASA-N	-1	1	424.493	5.451	1	10	in-vitro	HKCFMM
COc1cc(O)c2c(=O)c3cc(CC=C(C)C)c([O-])c(O)c3oc2c1CC=C(C)C	ZINC000014727618	291294142	/nfs/dbraw/zinc/29/41/42/291294142.db2.gz	RATPZJKZEAONEQ-UHFFFAOYSA-N	-1	1	410.466	5.089	1	10		HKCFMM
CC(C)=CCCC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc(O)c1O	ZINC000015120650	560228575	/nfs/dbraw/zinc/22/85/75/560228575.db2.gz	AMSGNHVRVKYLPO-CEMXSPGASA-N	-1	1	424.493	5.451	1	10	in-vitro	HKCFMM
CC(C)C=Cc1c([O-])c(C=CC(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2	ZINC000038900891	291283589	/nfs/dbraw/zinc/28/35/89/291283589.db2.gz	SOJXHIUZAHCLFY-AOPIPTQKSA-N	-1	1	424.493	5.554	1	10	biogenic,in-vitro	HKCFMM
CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc([O-])c(CC=C(C)C)c3O2)cc(O)c1O	ZINC000059589074	291287562	/nfs/dbraw/zinc/28/75/62/291287562.db2.gz	ARKWSSISMOPLRP-QHCPKHFHSA-N	-1	1	408.494	5.527	1	10	biogenic,in-vitro	HKCFMM
CC(C)=CCc1c(O)c(O)c(C=C(C)C)cc1[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1	ZINC000095486051	291286396	/nfs/dbraw/zinc/28/63/96/291286396.db2.gz	QCMXRXGQMHTJNH-FQEVSTJZSA-N	-1	1	410.466	5.147	1	10	biogenic,in-vitro	HKCFMM