pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.94	AttenGpKa training set	0	-1	CCCCCCNC(=O)NS(=O)(=O)c1ccccc1	CCCCCCNC(=O)[N-]S(=O)(=O)c1ccccc1	mol28577	CCCCCCNC(=O)NS(=O)(=O)c1ccccc1