pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.52	AttenGpKa training set	1	0	[NH3+]c1ccn(-c2ccc(Cl)cc2)n1,Nc1ccn(-c2ccc(Cl)cc2)[nH+]1	Nc1ccn(-c2ccc(Cl)cc2)n1	mol25486	Nc1ccn(-c2ccc(Cl)cc2)n1