pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.27	Hunt	1	0	CCC[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1	CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1	mol630	CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1