pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.65	Datawarrior	1	0	C[N+](C)(C)O	C[N+](C)(C)[O-]	mol15927	C[N+](C)(C)O
4.6500001	OCHEM	1	0	C[N+](C)(C)O	C[N+](C)(C)[O-]	mol15927	C[N+](C)(C)O
4.573333333	AttenGpKa training set	1	0	C[N+](C)(C)O	C[N+](C)(C)[O-]	mol15927	C[N+](C)(C)O