pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.83999991416931	QSARToolbox	1	0	COC(=O)[C@@H]1CSC[NH2+]1	COC(=O)[C@@H]1CSCN1	mol34252	COC(=O)[C@@H]1CSCN1