pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.06	IUPAC digitized pKa	0	-1	Cc1ccc2cccc(S)c2n1,Cc1ccc2cccc([S-])c2[nH+]1	Cc1ccc2cccc([S-])c2n1	mol7756	Cc1ccc2cccc(S)c2n1
9.60000038146973	QSARToolbox	0	-1	Cc1ccc2cccc(S)c2n1,Cc1ccc2cccc([S-])c2[nH+]1	Cc1ccc2cccc([S-])c2n1	mol7756	Cc1ccc2cccc(S)c2n1
2.28	IUPAC digitized pKa	1	0	Cc1ccc2cccc(S)c2[nH+]1	Cc1ccc2cccc(S)c2n1,Cc1ccc2cccc([S-])c2[nH+]1	mol7756	Cc1ccc2cccc(S)c2n1
2.27999997138977	QSARToolbox	1	0	Cc1ccc2cccc(S)c2[nH+]1	Cc1ccc2cccc(S)c2n1,Cc1ccc2cccc([S-])c2[nH+]1	mol7756	Cc1ccc2cccc(S)c2n1