pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.11	AttenGpKa training set	1	0	[NH3+]c1ccc2ccc3ccccc3c2c1	Nc1ccc2ccc3ccccc3c2c1	mol23857	Nc1ccc2ccc3ccccc3c2c1