pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.79	AttenGpKa training set	0	-1	NNC(=O)c1ccccc1Cl	N[N-]C(=O)c1ccccc1Cl	mol24781	NNC(=O)c1ccccc1Cl
2.56	AttenGpKa training set	1	0	[NH3+]NC(=O)c1ccccc1Cl	NNC(=O)c1ccccc1Cl	mol24781	NNC(=O)c1ccccc1Cl