pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.69999980926514	QSARToolbox	0	-1	C[NH+](CS(=O)(=O)[O-])[C@@H]1CCCC[C@H]1O	CN(CS(=O)(=O)[O-])[C@@H]1CCCC[C@H]1O	mol36441	CN(CS(=O)(=O)O)[C@@H]1CCCC[C@H]1O