pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.83999991416931	QSARToolbox	1	0	CCOC(=O)C[C@@H](NCCO)C(O)=[OH+],CCOC(=O)C[C@@H]([NH2+]CCO)C(=O)O	CCOC(=O)C[C@@H]([NH2+]CCO)C(=O)[O-]	mol35857	CCOC(=O)CC(NCCO)C(=O)O