pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.01	AttenGpKa training set	0	-1	CCCNC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	CCCNC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	mol28582	CCCNC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1