pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.15	AttenGpKa training set	0	-1	NNC(=O)c1ccc(Br)cc1	N[N-]C(=O)c1ccc(Br)cc1	mol24846	NNC(=O)c1ccc(Br)cc1
3.0	AttenGpKa training set	1	0	[NH3+]NC(=O)c1ccc(Br)cc1	NNC(=O)c1ccc(Br)cc1	mol24846	NNC(=O)c1ccc(Br)cc1