pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.8	AttenGpKa training set	0	-1	NC(=O)c1c[nH]cn1	NC(=O)c1c[n-]cn1	mol3904	NC(=O)c1c[nH]cn1
3.7	AttenGpKa training set	1	0	NC(=O)c1c[nH]c[nH+]1	NC(=O)c1c[nH]cn1	mol3904	NC(=O)c1c[nH]cn1