pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Datawarrior	0	-1	CC(=O)NS(=O)(=O)c1ccsc1C(=O)O	CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)O,CC(=O)NS(=O)(=O)c1ccsc1C(=O)[O-]	mol14343	CC(=O)NS(=O)(=O)c1ccsc1C(=O)O
3.0999999	OCHEM	0	-1	CC(=O)NS(=O)(=O)c1ccsc1C(=O)O	CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)O,CC(=O)NS(=O)(=O)c1ccsc1C(=O)[O-]	mol14343	CC(=O)NS(=O)(=O)c1ccsc1C(=O)O
3.09999990463257	QSARToolbox	0	-1	CC(=O)NS(=O)(=O)c1ccsc1C(=O)O	CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)O,CC(=O)NS(=O)(=O)c1ccsc1C(=O)[O-]	mol14343	CC(=O)NS(=O)(=O)c1ccsc1C(=O)O