pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.60999989509583	QSARToolbox	-1	-2	O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O,O=C(O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	mol37222	O=C(O)CC(NS(=O)(=O)c1ccccc1)C(=O)O