smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([O-])O/N=C(\Cc1ccc(O)cc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004641394	291304021	/nfs/dbraw/zinc/30/40/21/291304021.db2.gz	WWBNBPSEKLOHJU-BXLHIMNRSA-N	-1	0	425.437	-1.399	10	30	biogenic,in-vitro	IAEERM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](O)[C@H]3[C@H](O)[C@@H]12	ZINC000071789627	522033824	/nfs/dbraw/zinc/03/38/24/522033824.db2.gz	HFGJDTOOQKHXKS-NWIXSBDRSA-N	-1	0	446.412	-1.418	10	30		IAEERM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](O)[C@H]3[C@H](O)[C@H]12	ZINC000071789629	522034411	/nfs/dbraw/zinc/03/44/11/522034411.db2.gz	HFGJDTOOQKHXKS-GVLOLPRISA-N	-1	0	446.412	-1.418	10	30		IAEERM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](O)[C@@H]3[C@H](O)[C@@H]12	ZINC000071789630	522032764	/nfs/dbraw/zinc/03/27/64/522032764.db2.gz	HFGJDTOOQKHXKS-GFVCRYCESA-N	-1	0	446.412	-1.418	10	30		IAEERM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](O)[C@@H]3[C@H](O)[C@H]12	ZINC000071789631	522033618	/nfs/dbraw/zinc/03/36/18/522033618.db2.gz	HFGJDTOOQKHXKS-ONILDFRDSA-N	-1	0	446.412	-1.418	10	30		IAEERM