pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7089	OCHEM	0	-1	CC(=O)N[C@H](C)C(=O)O	CC(=O)N[C@H](C)C(=O)[O-]	mol29415	CC(=O)NC(C)C(=O)O
3.72	AttenGpKa training set	0	-1	CC(=O)N[C@H](C)C(=O)O	CC(=O)N[C@H](C)C(=O)[O-]	mol29415	CC(=O)NC(C)C(=O)O