pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.68	AttenGpKa training set	1	0	[NH3+]c1cc2ccccc2c2ccccc12	Nc1cc2ccccc2c2ccccc12	mol23860	Nc1cc2ccccc2c2ccccc12