smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1O[C@H](CC(=O)[O-])C[C@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@@]12O	ZINC000248012330	297648115	/nfs/dbraw/zinc/64/81/15/297648115.db2.gz	JJKCJXIYVNHIOS-HDGYTCMBSA-N	-2	3	336.296	-0.115	40	10	biogenic,in-vitro	EBCBHL
C[C@H]1O[C@@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@]12O	ZINC000072320132	300643974	/nfs/dbraw/zinc/64/39/74/300643974.db2.gz	JJKCJXIYVNHIOS-GCVVRSHASA-N	-2	3	336.296	-0.115	40	10	biogenic,in-vitro	EBCBHL
C[C@@H]1O[C@@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@@]12O	ZINC000072320131	376069452	/nfs/dbraw/zinc/06/94/52/376069452.db2.gz	JJKCJXIYVNHIOS-WRAUVNNMSA-N	-2	3	336.296	-0.115	40	10	biogenic,in-vitro	EBCBHL
C[C@@H]1O[C@@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@]12O	ZINC000072320133	376069679	/nfs/dbraw/zinc/06/96/79/376069679.db2.gz	JJKCJXIYVNHIOS-DMHGHPMTSA-N	-2	3	336.296	-0.115	40	10	biogenic,in-vitro	EBCBHL
C[C@@H]1O[C@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@]12O	ZINC000248012342	376818513	/nfs/dbraw/zinc/81/85/13/376818513.db2.gz	JJKCJXIYVNHIOS-POVIXMMNSA-N	-2	3	336.296	-0.115	40	10	biogenic,in-vitro	EBCBHL
Cc1ccc(N2[N-]C(=O)C(=Cc3c([O-])[nH]c(=O)[nH]c3=O)C2=O)cc1	ZINC000006502062	375911564	/nfs/dbraw/zinc/91/15/64/375911564.db2.gz	GAXDZKDCYPMSGQ-POHAHGRESA-N	-2	3	328.284	-0.461	40	10		EBCBHL
C[C@H]1O[C@@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@@]12O	ZINC000072320130	376069013	/nfs/dbraw/zinc/06/90/13/376069013.db2.gz	JJKCJXIYVNHIOS-HUTZYBSFSA-N	-2	3	336.296	-0.115	40	10	biogenic,in-vitro	EBCBHL
C[C@@H]1O[C@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@@]12O	ZINC000229775449	379734817	/nfs/dbraw/zinc/73/48/17/379734817.db2.gz	JJKCJXIYVNHIOS-WKRQNYRMSA-N	-2	3	336.296	-0.115	40	10	biogenic,in-vitro	EBCBHL
C[C@@H]1O[C@H](CC(=O)[O-])C[C@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@]12O	ZINC000106939114	381210359	/nfs/dbraw/zinc/21/03/59/381210359.db2.gz	JJKCJXIYVNHIOS-CDUDELDCSA-N	-2	3	336.296	-0.115	40	10	biogenic,in-vitro	EBCBHL