pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.25	IUPAC digitized pKa	0	-1	Nc1cc(S)ncn1	Nc1cc([S-])ncn1	mol7086	Nc1cc(S)ncn1
-0.24	IUPAC digitized pKa	1	0	Nc1cc(S)[nH+]cn1,[NH3+]c1cc(S)ncn1,Nc1cc(S)nc[nH+]1	Nc1cc(S)ncn1	mol7086	Nc1cc(S)ncn1
-0.239999994635582	QSARToolbox	1	0	Nc1cc(S)[nH+]cn1,[NH3+]c1cc(S)ncn1,Nc1cc(S)nc[nH+]1	Nc1cc(S)ncn1	mol7086	Nc1cc(S)ncn1