pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.47	AttenGpKa training set	0	-1	C[C@@H]([NH3+])C(=O)N[C@H](CC(N)=O)C(=O)[O-]	C[C@@H](N)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	mol29442	CC(N)C(=O)N[C@H](CC(N)=O)C(=O)O