pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.885	AttenGpKa training set	0	-1	C[C@@H](O)[C@H](N)C(=O)NO	C[C@@H](O)[C@H](N)C(=O)N[O-],C[C@@H](O)[C@H](N)C(=O)[N-]O	mol31398	CC(O)C(N)C(=O)NO
6.73	AttenGpKa training set	1	0	C[C@@H](O)[C@H]([NH3+])C(=O)NO	C[C@@H](O)[C@H](N)C(=O)NO	mol31398	CC(O)C(N)C(=O)NO