pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55999994277954	QSARToolbox	0	-1	CC(C)[C@@H](NC(N)=O)C(=O)O	CC(C)[C@@H](NC(N)=O)C(=O)[O-]	mol29328	CC(C)C(NC(N)=O)C(=O)O
3.56	AttenGpKa training set	0	-1	CC(C)[C@@H](NC(N)=O)C(=O)O	CC(C)[C@@H](NC(N)=O)C(=O)[O-]	mol29328	CC(C)C(NC(N)=O)C(=O)O