pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.87	Hunt	1	0	CC(C)[NH2+]C[C@@H](O)COc1ccc(COCCOC(C)C)cc1	CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1	mol631	CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1