pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	AttenGpKa training set	1	0	CC[N+](O)(CC)c1ccc([N+](=O)[O-])cc1	CC[N+]([O-])(CC)c1ccc([N+](=O)[O-])cc1	mol24842	CC[N+](O)(CC)c1ccc([N+](=O)[O-])cc1