pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	AttenGpKa training set	1	0	[NH3+]c1c2ccccc2nc2ccc(Cl)cc12,Nc1c2ccccc2[nH+]c2ccc(Cl)cc12	Nc1c2ccccc2nc2ccc(Cl)cc12	mol26667	Nc1c2ccccc2nc2ccc(Cl)cc12