pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Datawarrior	1	0	C#CC(C)(C)[NH2+]C(C)(C)CC	C#CC(C)(C)NC(C)(C)CC	mol1452	C#CC(C)(C)NC(C)(C)CC