pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.59999990463257	QSARToolbox	0	-1	Sc1cc(S)ncn1	[S-]c1cc(S)ncn1	mol7388	Sc1cc(S)ncn1
-7.19999980926514	QSARToolbox	2	1	Sc1cc(S)[nH+]c[nH+]1	Sc1cc(S)[nH+]cn1	mol7388	Sc1cc(S)ncn1
-2.29999995231628	QSARToolbox	2	1	Sc1cc(S)[nH+]c[nH+]1	Sc1cc(S)[nH+]cn1	mol7388	Sc1cc(S)ncn1