pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.49	IUPAC digitized pKa	0	-1	CN(C)C(=O)SCC(=O)O	CN(C)C(=O)SCC(=O)[O-]	mol9506	CN(C)C(=O)SCC(=O)O
3.55	IUPAC digitized pKa	0	-1	CN(C)C(=O)SCC(=O)O	CN(C)C(=O)SCC(=O)[O-]	mol9506	CN(C)C(=O)SCC(=O)O
3.49000000953674	QSARToolbox	0	-1	CN(C)C(=O)SCC(=O)O	CN(C)C(=O)SCC(=O)[O-]	mol9506	CN(C)C(=O)SCC(=O)O