pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.57	AttenGpKa training set	0	-1	[NH3+][C@@H](CO)c1ccc([O-])cc1,N[C@@H](CO)c1ccc(O)cc1	N[C@@H](CO)c1ccc([O-])cc1	mol24260	NC(CO)c1ccc(O)cc1
9.66	AttenGpKa training set	0	-1	[NH3+][C@@H](CO)c1ccc([O-])cc1,N[C@@H](CO)c1ccc(O)cc1	N[C@@H](CO)c1ccc([O-])cc1	mol24260	NC(CO)c1ccc(O)cc1