pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.995	AttenGpKa training set	1	0	CCOc1cc[n+](O)cc1	CCOc1cc[n+]([O-])cc1	mol25174	CCOc1cc[n+](O)cc1