pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.79	Datawarrior	1	0	[NH3+]c1ncc(S(=O)(=O)c2ccccc2)s1,Nc1[nH+]cc(S(=O)(=O)c2ccccc2)s1	Nc1ncc(S(=O)(=O)c2ccccc2)s1	mol15722	Nc1ncc(S(=O)(=O)c2ccccc2)s1
1.78999996185303	QSARToolbox	1	0	[NH3+]c1ncc(S(=O)(=O)c2ccccc2)s1,Nc1[nH+]cc(S(=O)(=O)c2ccccc2)s1	Nc1ncc(S(=O)(=O)c2ccccc2)s1	mol15722	Nc1ncc(S(=O)(=O)c2ccccc2)s1