pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.46	OCHEM	0	-1	CS(=O)(=O)CC(=O)/C=N/O	CS(=O)(=O)CC(=O)/C=N/[O-]	mol20941	CS(=O)(=O)CC(=O)/C=N/O
7.46000003814697	QSARToolbox	0	-1	CS(=O)(=O)CC(=O)/C=N/O	CS(=O)(=O)CC(=O)/C=N/[O-]	mol20941	CS(=O)(=O)CC(=O)/C=N/O
11.1000003814697	QSARToolbox	-1	-2	CS(=O)(=O)CC(=O)/C=N/[O-]	CS(=O)(=O)[CH-]C(=O)/C=N/[O-]	mol20941	CS(=O)(=O)CC(=O)/C=N/O
11.1	AttenGpKa training set	-1	-2	CS(=O)(=O)CC(=O)/C=N/[O-]	CS(=O)(=O)[CH-]C(=O)/C=N/[O-]	mol20941	CS(=O)(=O)CC(=O)/C=N/O