pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.22	Datawarrior	0	-1	NC(=O)CS	NC(=O)C[S-]	mol15928	NC(=O)CS
8.2200003	OCHEM	0	-1	NC(=O)CS	NC(=O)C[S-]	mol15928	NC(=O)CS
8.22000026702881	QSARToolbox	0	-1	NC(=O)CS	NC(=O)C[S-]	mol15928	NC(=O)CS
8.2	AttenGpKa training set	0	-1	NC(=O)CS	NC(=O)C[S-]	mol15928	NC(=O)CS