pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.43	AttenGpKa training set	1	0	[NH3+]c1cnn(-c2cccc(Cl)c2)c1,Nc1c[nH+]n(-c2cccc(Cl)c2)c1	Nc1cnn(-c2cccc(Cl)c2)c1	mol25489	Nc1cnn(-c2cccc(Cl)c2)c1