pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	AttenGpKa training set	2	1	c1ccc(-c2ccc(-c3cccc[nH+]3)o2)[nH+]c1	c1ccc(-c2ccc(-c3cccc[nH+]3)o2)nc1	mol25118	c1ccc(-c2ccc(-c3ccccn3)o2)nc1
3.41	AttenGpKa training set	2	1	c1ccc(-c2ccc(-c3cccc[nH+]3)o2)[nH+]c1	c1ccc(-c2ccc(-c3cccc[nH+]3)o2)nc1	mol25118	c1ccc(-c2ccc(-c3ccccn3)o2)nc1