smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2[O-]	ZINC000004097612	537003064	/nfs/dbraw/zinc/00/30/64/537003064.db2.gz	WTGXAWKVZMQEDA-XFWGRBSCSA-N	-1	1	373.314	-2.048	10	30	in-vitro	FAEEMM
COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2[O-]	ZINC000004654641	537003583	/nfs/dbraw/zinc/00/35/83/537003583.db2.gz	WTGXAWKVZMQEDA-FYPHCDFOSA-N	-1	1	373.314	-2.048	10	30	in-vitro	FAEEMM
N=C(N)Nc1nc(C[S@@](=O)CCC(=O)[N-]S(N)(=O)=O)cs1	ZINC000022056689	482548579	/nfs/dbraw/zinc/54/85/79/482548579.db2.gz	SOOLGLOWIWDUSE-HXUWFJFHSA-N	-1	1	354.439	-1.994	10	30	in-vitro	FAEEMM
N=C(N)Nc1nc(C[S@](=O)CCC(=O)[N-]S(N)(=O)=O)cs1	ZINC000022056694	220376042	/nfs/dbraw/zinc/37/60/42/220376042.db2.gz	SOOLGLOWIWDUSE-FQEVSTJZSA-N	-1	1	354.439	-1.994	10	30	in-vitro	FAEEMM