pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.04	AttenGpKa training set	0	-1	NNC(=O)c1ccccc1F	N[N-]C(=O)c1ccccc1F	mol24760	NNC(=O)c1ccccc1F
2.85	AttenGpKa training set	1	0	[NH3+]NC(=O)c1ccccc1F	NNC(=O)c1ccccc1F	mol24760	NNC(=O)c1ccccc1F