pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.14	AttenGpKa training set	0	-1	[NH3+][C@@H](C(=O)[O-])c1ccccc1	N[C@@H](C(=O)[O-])c1ccccc1	mol29324	NC(C(=O)O)c1ccccc1
1.61	AttenGpKa training set	1	0	[NH3+][C@@H](C(=O)O)c1ccccc1	[NH3+][C@@H](C(=O)[O-])c1ccccc1	mol29324	NC(C(=O)O)c1ccccc1