pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	Hunt	1	0	C[NH2+]CC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1	CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1	mol526	CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1