pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.51	IUPAC digitized pKa	0	-1	CSCC[C@@H](NC(=O)C[NH3+])C(=O)[O-]	CSCC[C@@H](NC(=O)CN)C(=O)[O-]	mol10378	CSCCC(NC(=O)CN)C(=O)O
7.80999994277954	QSARToolbox	0	-1	CSCC[C@@H](NC(=O)C[NH3+])C(=O)[O-]	CSCC[C@@H](NC(=O)CN)C(=O)[O-]	mol10378	CSCCC(NC(=O)CN)C(=O)O
3.16	IUPAC digitized pKa	1	0	CSCC[C@@H](NC(=O)C[NH3+])C(=O)O	CSCC[C@@H](NC(=O)C[NH3+])C(=O)[O-]	mol10378	CSCCC(NC(=O)CN)C(=O)O