pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.4	IUPAC digitized pKa	0	-1	CC[NH+](CC(=O)[O-])[C@H](C(=O)O)c1ccc(C)cc1,CC[NH+](CC(=O)O)[C@H](C(=O)[O-])c1ccc(C)cc1	CC[NH+](CC(=O)[O-])[C@H](C(=O)[O-])c1ccc(C)cc1	mol11879	CCN(CC(=O)O)C(C(=O)O)c1ccc(C)cc1
1.45	IUPAC digitized pKa	1	0	CC[NH+](CC(=O)O)[C@H](C(=O)O)c1ccc(C)cc1	CC[NH+](CC(=O)[O-])[C@H](C(=O)O)c1ccc(C)cc1,CC[NH+](CC(=O)O)[C@H](C(=O)[O-])c1ccc(C)cc1	mol11879	CCN(CC(=O)O)C(C(=O)O)c1ccc(C)cc1
9.45	IUPAC digitized pKa	-1	-2	CC[NH+](CC(=O)[O-])[C@H](C(=O)[O-])c1ccc(C)cc1	CCN(CC(=O)[O-])[C@H](C(=O)[O-])c1ccc(C)cc1	mol11879	CCN(CC(=O)O)C(C(=O)O)c1ccc(C)cc1