smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2nc[nH]c(=O)c2[N+](=O)[O-])CC1	ZINC000040610494	132348207	/nfs/dbraw/zinc/34/82/07/132348207.db2.gz	JJALPLPYKAAUIY-UHFFFAOYSA-N	1	2	239.235	-0.158	10	5		BBBELO
O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)CO)ccc1O	ZINC000083370058	538476093	/nfs/dbraw/zinc/47/60/93/538476093.db2.gz	XWSCYWHNMGAZAC-MRVPVSSYSA-N	1	2	242.231	-0.257	10	5		BBBELO
O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)CO)cc1O	ZINC000083370062	538475871	/nfs/dbraw/zinc/47/58/71/538475871.db2.gz	CGFGTMOQANGTRY-MRVPVSSYSA-N	1	2	242.231	-0.257	10	5		BBBELO
CC1(C)[N+]([O-])=c2cc([N+](=O)[O-])ccc2=[N+]1O	ZINC000225398308	370523575	/nfs/dbraw/zinc/52/35/75/370523575.db2.gz	APRQUYLFYYBAFJ-UHFFFAOYSA-N	1	2	225.204	-0.895	10	5		BBBELO