pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.63	Datawarrior	0	-1	NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1,NS(=O)(=O)c1ccc(/[NH+]=C/c2ccccc2[O-])cc1	NS(=O)(=O)c1ccc(/N=C/c2ccccc2[O-])cc1	mol15472	NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1
6.63000011444092	QSARToolbox	0	-1	NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1,NS(=O)(=O)c1ccc(/[NH+]=C/c2ccccc2[O-])cc1	NS(=O)(=O)c1ccc(/N=C/c2ccccc2[O-])cc1	mol15472	NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1
11.71	Datawarrior	-1	-2	NS(=O)(=O)c1ccc(/N=C/c2ccccc2[O-])cc1	[NH-]S(=O)(=O)c1ccc(/N=C/c2ccccc2[O-])cc1	mol15472	NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1