pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.36	IUPAC digitized pKa	1	0	C[S@@+]([O-])c1c[nH+]c2ccccc2n1,C[S@@+]([O-])c1cnc2ccccc2[nH+]1	C[S@@+]([O-])c1cnc2ccccc2n1	mol7948	C[S+]([O-])c1cnc2ccccc2n1
-1.36000001430511	QSARToolbox	1	0	C[S@@+]([O-])c1c[nH+]c2ccccc2n1,C[S@@+]([O-])c1cnc2ccccc2[nH+]1	C[S@@+]([O-])c1cnc2ccccc2n1	mol7948	C[S+]([O-])c1cnc2ccccc2n1