smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNS(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000105237161	1067028805	/nfs/dbraw/zinc/02/88/05/1067028805.db2.gz	DTKBNPJOGOBVIZ-UHFFFAOYSA-N	0	1	498.562	-1.058	20	5		JABDMN
C[NH+](C)/C=C/c1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ncc1[N+](=O)[O-]	ZINC001161857843	1067328073	/nfs/dbraw/zinc/32/80/73/1067328073.db2.gz	GIEFBFZALVSNLG-NGNKDGMRSA-N	0	1	450.426	-1.439	20	5		JABDMN
C[NH+](C)/C=C/c1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ncc1[N+](=O)[O-]	ZINC001161857844	1067327982	/nfs/dbraw/zinc/32/79/82/1067327982.db2.gz	GIEFBFZALVSNLG-RQWMUVTLSA-N	0	1	450.426	-1.439	20	5		JABDMN