pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.55	Datawarrior	2	1	C[NH2+]CC(C)C[NH2+]C	CNCC(C)C[NH2+]C	mol12455	CNCC(C)CNC
8.29	Datawarrior	2	1	C[NH2+]CC(C)C[NH2+]C	CNCC(C)C[NH2+]C	mol12455	CNCC(C)CNC
8.28999996185303	QSARToolbox	2	1	C[NH2+]CC(C)C[NH2+]C	CNCC(C)C[NH2+]C	mol12455	CNCC(C)CNC