pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.59	IUPAC digitized pKa	0	-1	COc1ccccc1SCC(=O)O	COc1ccccc1SCC(=O)[O-]	mol11022	COc1ccccc1SCC(=O)O
3.58999991416931	QSARToolbox	0	-1	COc1ccccc1SCC(=O)O	COc1ccccc1SCC(=O)[O-]	mol11022	COc1ccccc1SCC(=O)O
3.665	AttenGpKa training set	0	-1	COc1ccccc1SCC(=O)O	COc1ccccc1SCC(=O)[O-]	mol11022	COc1ccccc1SCC(=O)O