pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.1	AttenGpKa training set	1	0	c1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)[nH+]2)cc1	c1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1	mol25617	c1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1