pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.65	IUPAC digitized pKa	0	-1	CCC([N+](=O)[O-])[N+](=O)[O-]	CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9050	CCC([N+](=O)[O-])[N+](=O)[O-]
5.61	IUPAC digitized pKa	0	-1	CCC([N+](=O)[O-])[N+](=O)[O-]	CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9050	CCC([N+](=O)[O-])[N+](=O)[O-]
5.7	IUPAC digitized pKa	0	-1	CCC([N+](=O)[O-])[N+](=O)[O-]	CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9050	CCC([N+](=O)[O-])[N+](=O)[O-]
5.53	IUPAC digitized pKa	0	-1	CCC([N+](=O)[O-])[N+](=O)[O-]	CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9050	CCC([N+](=O)[O-])[N+](=O)[O-]
5.36	IUPAC digitized pKa	0	-1	CCC([N+](=O)[O-])[N+](=O)[O-]	CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9050	CCC([N+](=O)[O-])[N+](=O)[O-]
5.22	IUPAC digitized pKa	0	-1	CCC([N+](=O)[O-])[N+](=O)[O-]	CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9050	CCC([N+](=O)[O-])[N+](=O)[O-]
5.52	IUPAC digitized pKa	0	-1	CCC([N+](=O)[O-])[N+](=O)[O-]	CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9050	CCC([N+](=O)[O-])[N+](=O)[O-]
5.67	Datawarrior	0	-1	CCC([N+](=O)[O-])[N+](=O)[O-]	CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9050	CCC([N+](=O)[O-])[N+](=O)[O-]
5.6700001	OCHEM	0	-1	CCC([N+](=O)[O-])[N+](=O)[O-]	CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9050	CCC([N+](=O)[O-])[N+](=O)[O-]