pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	OCHEM	1	0	C[C@@H](O)C[NH+](C[C@@H](C)O)C(C)(C)C	C[C@@H](O)CN(C[C@@H](C)O)C(C)(C)C	mol885	C[C@@H](O)CN(C[C@@H](C)O)C(C)(C)C