pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	OCHEM	0	-1	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1	COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)n1	mol646	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
3.63000011444092	QSARToolbox	0	-1	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1	COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)n1	mol646	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
3.63	AttenGpKa training set	0	-1	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1	COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)n1	mol646	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1