smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C	ZINC000001532585	206260243	/nfs/dbraw/zinc/26/02/43/206260243.db2.gz	AUNGANRZJHBGPY-MBNYWOFBSA-N	0	2	376.369	-1.724	50	5	in-man	GABALN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C	ZINC000001769096	212256200	/nfs/dbraw/zinc/25/62/00/212256200.db2.gz	AUNGANRZJHBGPY-OBJOEFQTSA-N	0	2	376.369	-1.724	50	5	in-vitro	GABALN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000002036848	212262416	/nfs/dbraw/zinc/26/24/16/212262416.db2.gz	AUNGANRZJHBGPY-SCRDCRAPSA-N	0	2	376.369	-1.724	50	5	endogenous,fda	GABALN
O=C([O-])C[N@@H+]1C[C@@]2([N+](=O)[O-])C=C(C(=O)N3CCOCC3)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000002750128	1075490144	/nfs/dbraw/zinc/49/01/44/1075490144.db2.gz	OUQURFNIMNDUEW-CABCVRRESA-N	0	2	384.345	-1.003	50	5		GABALN
O=C([O-])C[N@H+]1C[C@@]2([N+](=O)[O-])C=C(C(=O)N3CCOCC3)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000002750128	1075490138	/nfs/dbraw/zinc/49/01/38/1075490138.db2.gz	OUQURFNIMNDUEW-CABCVRRESA-N	0	2	384.345	-1.003	50	5		GABALN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C	ZINC000003650334	204017075	/nfs/dbraw/zinc/01/70/75/204017075.db2.gz	AUNGANRZJHBGPY-SGMGOOAPSA-N	0	2	376.369	-1.724	50	5	in-vitro	GABALN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C	ZINC000003831423	560189928	/nfs/dbraw/zinc/18/99/28/560189928.db2.gz	AUNGANRZJHBGPY-OUCADQQQSA-N	0	2	376.369	-1.724	50	5	in-vitro	GABALN
O=C([O-])C[N@@H+]1C[C@]2([N+](=O)[O-])C=C(C(=O)N3CCOCC3)C[C@]([N+](=O)[O-])(C1)C2	ZINC000008426428	570531611	/nfs/dbraw/zinc/53/16/11/570531611.db2.gz	OUQURFNIMNDUEW-LSDHHAIUSA-N	0	2	384.345	-1.003	50	5		GABALN
O=C([O-])C[N@H+]1C[C@]2([N+](=O)[O-])C=C(C(=O)N3CCOCC3)C[C@]([N+](=O)[O-])(C1)C2	ZINC000008426428	570531609	/nfs/dbraw/zinc/53/16/09/570531609.db2.gz	OUQURFNIMNDUEW-LSDHHAIUSA-N	0	2	384.345	-1.003	50	5		GABALN