pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	OCHEM	1	0	CC(C)=CC[NH+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C	CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C,CC(C)=CC[NH+]1CC[C@]2(C)c3cc([O-])ccc3C[C@H]1[C@@H]2C	mol32923	CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3CC1C2C