smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC(C)(C)c1c([O-])c2c(O)c3cc(CC=C(C)C)c([O-])c(O)c3oc-2cc1=O	ZINC000013412027	560216589	/nfs/dbraw/zinc/21/65/89/560216589.db2.gz	HSGGSJBRVQFVGH-UHFFFAOYSA-N	-2	0	396.439	4.741	1	30	biogenic,in-vitro	GJEFRL
C=CC(C)(C)c1c([O-])c2c(O)c3c(CC=C(C)C)cc([O-])c(O)c3oc-2cc1=O	ZINC000013312346	560214229	/nfs/dbraw/zinc/21/42/29/560214229.db2.gz	IXUNODGMZUQIQP-UHFFFAOYSA-N	-2	0	396.439	4.741	1	30	biogenic,in-vitro	GJEFRL
C=CC(C)(C)c1c2oc3c(O)c([O-])ccc3c(O)c-2c([O-])c(CC=C(C)C)c1=O	ZINC000015256039	209165923	/nfs/dbraw/zinc/16/59/23/209165923.db2.gz	SHKQTNVZRNUENO-UHFFFAOYSA-N	-2	0	396.439	4.741	3	30	biogenic,in-vitro	GJEFRL
C=C(C)[C@H]1C[C@H](c2c([O-])c3c(O)c4ccc([O-])c(O)c4oc-3cc2=O)C(C)(C)C1	ZINC000014638114	212116390	/nfs/dbraw/zinc/11/63/90/212116390.db2.gz	LYMUFMGSOHLCHO-WCQYABFASA-N	-2	0	396.439	4.865	1	30	in-vitro	GJEFRL
C=CC(C)(C)c1c([O-])c2c(O)c3c(cc([O-])c(O)c3CC=C(C)C)oc-2cc1=O	ZINC000028962515	212109460	/nfs/dbraw/zinc/10/94/60/212109460.db2.gz	UVBQFJQAVCIWKR-UHFFFAOYSA-N	-2	0	396.439	4.741	1	30		GJEFRL
C=CC(C)(C)c1c([O-])c2c(O)c3cc(O)c([O-])cc3oc-2c(CC=C(C)C)c1=O	ZINC000005849303	206261934	/nfs/dbraw/zinc/26/19/34/206261934.db2.gz	QFYDCUMYVXSZFJ-UHFFFAOYSA-N	-2	0	396.439	4.741	1	30	in-vitro	GJEFRL