pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28000020980835	QSARToolbox	0	-1	O=C(O)[C@H](S)c1ccccc1	O=C([O-])[C@H](S)c1ccccc1	mol38620	O=C(O)C(S)c1ccccc1