pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.61	AttenGpKa training set	1	0	[NH3+]c1ccc(O)cc1OCCO	Nc1ccc(O)cc1OCCO	mol23797	Nc1ccc(O)cc1OCCO