pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.11	AttenGpKa training set	1	0	C[NH+](CCCO)c1ccccc1	CN(CCCO)c1ccccc1	mol23777	CN(CCCO)c1ccccc1