pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	AttenGpKa training set	1	0	CC[N+](O)(CC)c1ccc(Cl)cc1	CC[N+]([O-])(CC)c1ccc(Cl)cc1	mol24825	CC[N+](O)(CC)c1ccc(Cl)cc1