pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.97	AttenGpKa training set	0	-1	O=[N+]([O-])NCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[N-]CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	mol27924	O=[N+]([O-])NCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]