pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.56	IUPAC digitized pKa	1	0	Cn1ccc(=[SH+])c2ccccc21	Cn1ccc(=S)c2ccccc21	mol4409	Cn1ccc(=S)c2ccccc21