pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.08	Datawarrior	1	0	CCN[NH+](CC)CC,CC[NH2+]N(CC)CC	CCNN(CC)CC	mol12456	CCNN(CC)CC
7.0799999	OCHEM	1	0	CCN[NH+](CC)CC,CC[NH2+]N(CC)CC	CCNN(CC)CC	mol12456	CCNN(CC)CC
7.43	AttenGpKa training set	1	0	CCN[NH+](CC)CC,CC[NH2+]N(CC)CC	CCNN(CC)CC	mol12456	CCNN(CC)CC