pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.22	IUPAC digitized pKa	0	-1	Nc1cnccc1S,Nc1c[nH+]ccc1[S-]	Nc1cnccc1[S-]	mol6372	Nc1cnccc1S
9.2	OCHEM	0	-1	Nc1cnccc1S,Nc1c[nH+]ccc1[S-]	Nc1cnccc1[S-]	mol6372	Nc1cnccc1S
9.22000026702881	QSARToolbox	0	-1	Nc1cnccc1S,Nc1c[nH+]ccc1[S-]	Nc1cnccc1[S-]	mol6372	Nc1cnccc1S
1.60000002384186	QSARToolbox	1	0	[NH3+]c1cnccc1S,Nc1c[nH+]ccc1S	Nc1cnccc1S,Nc1c[nH+]ccc1[S-]	mol6372	Nc1cnccc1S