pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.77	IUPAC digitized pKa	0	-1	CC(C)C([N+](=O)[O-])[N+](=O)[O-]	CC(C)[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9229	CC(C)C([N+](=O)[O-])[N+](=O)[O-]
6.75	Datawarrior	0	-1	CC(C)C([N+](=O)[O-])[N+](=O)[O-]	CC(C)[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9229	CC(C)C([N+](=O)[O-])[N+](=O)[O-]