pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.48	Datawarrior	0	-1	CCCCN[N+](=O)[O-]	CCCC[N-][N+](=O)[O-]	mol12461	CCCCN[N+](=O)[O-]
6.455	AttenGpKa training set	0	-1	CCCCN[N+](=O)[O-]	CCCC[N-][N+](=O)[O-]	mol12461	CCCCN[N+](=O)[O-]