pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.98	IUPAC digitized pKa	0	-1	CC[C@@](C)([NH3+])C(=O)[O-]	CC[C@@](C)(N)C(=O)[O-]	mol8474	CCC(C)(N)C(=O)O
9.9799995	OCHEM	0	-1	CC[C@@](C)([NH3+])C(=O)[O-]	CC[C@@](C)(N)C(=O)[O-]	mol8474	CCC(C)(N)C(=O)O
9.97999954223633	QSARToolbox	0	-1	CC[C@@](C)([NH3+])C(=O)[O-]	CC[C@@](C)(N)C(=O)[O-]	mol8474	CCC(C)(N)C(=O)O
4.19999980926514	QSARToolbox	1	0	CC[C@@](C)([NH3+])C(=O)O	CC[C@@](C)([NH3+])C(=O)[O-]	mol8474	CCC(C)(N)C(=O)O
1.39999997615814	QSARToolbox	1	0	CC[C@@](C)([NH3+])C(=O)O	CC[C@@](C)([NH3+])C(=O)[O-]	mol8474	CCC(C)(N)C(=O)O