pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.12	IUPAC digitized pKa	0	-1	N#Cc1ccc(SCC(=O)O)cc1	N#Cc1ccc(SCC(=O)[O-])cc1	mol11112	N#Cc1ccc(SCC(=O)O)cc1
3.11999988555908	QSARToolbox	0	-1	N#Cc1ccc(SCC(=O)O)cc1	N#Cc1ccc(SCC(=O)[O-])cc1	mol11112	N#Cc1ccc(SCC(=O)O)cc1