pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.44	IUPAC digitized pKa	0	-1	CCCCc1nc(O)cc(SC)n1	CCCCc1nc([O-])cc(SC)n1	mol7206	CCCCc1nc(O)cc(SC)n1
9.4399995803833	QSARToolbox	0	-1	CCCCc1nc(O)cc(SC)n1	CCCCc1nc([O-])cc(SC)n1	mol7206	CCCCc1nc(O)cc(SC)n1
0.479999989271164	QSARToolbox	1	0	CCCCc1nc(SC)cc(O)[nH+]1,CCCCc1nc(O)cc(SC)[nH+]1	CCCCc1nc(O)cc(SC)n1	mol7206	CCCCc1nc(O)cc(SC)n1