pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.14	AttenGpKa training set	1	0	CC1=CC(C)(C)[NH2+]c2cc(C)ccc21	CC1=CC(C)(C)Nc2cc(C)ccc21	mol29557	CC1=CC(C)(C)Nc2cc(C)ccc21