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(O[C@@H]1CC(C(=O)[O-])=C[C@@H](O[P@@](=O)([O-])O)[C@H]1O)C(=O)[O-]	ZINC000004095612	181072495	/nfs/dbraw/zinc/07/24/95/181072495.db2.gz	QUTYKIXIUDQOLK-PRJMDXOYSA-N	-3	2	324.178	-0.777	10	0	in-vitro,metabolite	DBAELL
C=C(O[C@@H]1CC(C(=O)[O-])=C[C@@H](O[P@](=O)([O-])O)[C@H]1O)C(=O)[O-]	ZINC000004095612	181072497	/nfs/dbraw/zinc/07/24/97/181072497.db2.gz	QUTYKIXIUDQOLK-PRJMDXOYSA-N	-3	2	324.178	-0.777	10	0	in-vitro,metabolite	DBAELL
O=C([O-])c1c(O)c(C(=O)[O-])c(C(=O)[O-])c(C(=O)O)c1C(=O)[O-]	ZINC000216523192	374317458	/nfs/dbraw/zinc/31/74/58/374317458.db2.gz	RQVUVDHWVUCIAV-UHFFFAOYSA-N	-4	2	314.158	-0.117	10	0		DBAELL
NC(=O)c1cccc(NC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000584631140	337377064	/nfs/dbraw/zinc/37/70/64/337377064.db2.gz	BQBXRFSXGJEZDG-UHFFFAOYSA-N	-2	2	310.139	-0.164	10	0		DBAELL
NC(=O)c1cccc(NC(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000584631140	337377065	/nfs/dbraw/zinc/37/70/65/337377065.db2.gz	BQBXRFSXGJEZDG-UHFFFAOYSA-N	-2	2	310.139	-0.164	10	0		DBAELL