pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.83	AttenGpKa training set	0	-1	[NH3+]c1cc(C(=O)[O-])ccc1O,Nc1cc(C(=O)O)ccc1O	Nc1cc(C(=O)[O-])ccc1O	mol22698	Nc1cc(C(=O)O)ccc1O