pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.882666667	AttenGpKa training set	1	0	O[n+]1ccc(-c2ccccc2)cc1	[O-][n+]1ccc(-c2ccccc2)cc1	mol25187	O[n+]1ccc(-c2ccccc2)cc1