pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	QSARToolbox	1	0	[NH3+]CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	NCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	mol35251	NCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]