pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.05	Datawarrior	0	-1	Cc1ccc(S(=O)(=O)NC(=O)OC(C)(C)C)cc1	Cc1ccc(S(=O)(=O)[N-]C(=O)OC(C)(C)C)cc1	mol14873	Cc1ccc(S(=O)(=O)NC(=O)OC(C)(C)C)cc1
5.0500002	OCHEM	0	-1	Cc1ccc(S(=O)(=O)NC(=O)OC(C)(C)C)cc1	Cc1ccc(S(=O)(=O)[N-]C(=O)OC(C)(C)C)cc1	mol14873	Cc1ccc(S(=O)(=O)NC(=O)OC(C)(C)C)cc1
5.05000019073486	QSARToolbox	0	-1	Cc1ccc(S(=O)(=O)NC(=O)OC(C)(C)C)cc1	Cc1ccc(S(=O)(=O)[N-]C(=O)OC(C)(C)C)cc1	mol14873	Cc1ccc(S(=O)(=O)NC(=O)OC(C)(C)C)cc1