pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.25	Datawarrior	1	0	CCCCCN[NH3+],CCCCC[NH2+]N	CCCCCNN	mol15955	CCCCCNN
7.75	AttenGpKa training set	1	0	CCCCCN[NH3+],CCCCC[NH2+]N	CCCCCNN	mol15955	CCCCCNN