pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.64	IUPAC digitized pKa	0	-1	Cc1ccccc1S	Cc1ccccc1[S-]	mol702	Cc1ccccc1S
8.67000007629395	QSARToolbox	0	-1	Cc1ccccc1S	Cc1ccccc1[S-]	mol702	Cc1ccccc1S
7.0	AttenGpKa training set	0	-1	Cc1ccccc1S	Cc1ccccc1[S-]	mol702	Cc1ccccc1S