pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	AttenGpKa training set	2	1	C[N+](C)(O)CC[N+](C)(C)O	C[N+](C)([O-])CC[N+](C)(C)O	mol24751	C[N+](C)([O-])CC[N+](C)(C)O