pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	Hunt	1	0	C[NH2+]CC[C@@H](Oc1cc(C(F)(F)F)ccc1C#N)c1ccccc1	CNCC[C@@H](Oc1cc(C(F)(F)F)ccc1C#N)c1ccccc1	mol529	CNCC[C@@H](Oc1cc(C(F)(F)F)ccc1C#N)c1ccccc1