pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.45	AttenGpKa training set	0	-1	O=C(O)CNS(=O)(=O)c1ccccc1,O=C([O-])C[NH2+]S(=O)(=O)c1ccccc1	O=C([O-])CNS(=O)(=O)c1ccccc1	mol13257	O=C(O)CNS(=O)(=O)c1ccccc1
11.4	Datawarrior	-1	-2	O=C([O-])CNS(=O)(=O)c1ccccc1	O=C([O-])C[N-]S(=O)(=O)c1ccccc1	mol13257	O=C(O)CNS(=O)(=O)c1ccccc1
11.3999996185303	QSARToolbox	-1	-2	O=C([O-])CNS(=O)(=O)c1ccccc1	O=C([O-])C[N-]S(=O)(=O)c1ccccc1	mol13257	O=C(O)CNS(=O)(=O)c1ccccc1