pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.95	IUPAC digitized pKa	0	-1	NNC(=O)c1cccc(Cl)c1	N[N-]C(=O)c1cccc(Cl)c1	mol10325	NNC(=O)c1cccc(Cl)c1
11.96	AttenGpKa training set	0	-1	NNC(=O)c1cccc(Cl)c1	N[N-]C(=O)c1cccc(Cl)c1	mol10325	NNC(=O)c1cccc(Cl)c1
2.89	IUPAC digitized pKa	1	0	[NH3+]NC(=O)c1cccc(Cl)c1	NNC(=O)c1cccc(Cl)c1	mol10325	NNC(=O)c1cccc(Cl)c1
2.82	AttenGpKa training set	1	0	[NH3+]NC(=O)c1cccc(Cl)c1	NNC(=O)c1cccc(Cl)c1	mol10325	NNC(=O)c1cccc(Cl)c1