pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.43	IUPAC digitized pKa	0	-1	COC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]	COC(=O)CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9421	COC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]
4.34	IUPAC digitized pKa	0	-1	COC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]	COC(=O)CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9421	COC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]