pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.92	AttenGpKa training set	1	0	C[N@@+]1(O)[C@@H]2CC[C@H]1C[C@H](OC(=O)c1ccccc1)C2	C[N@@+]1([O-])[C@@H]2CC[C@H]1C[C@H](OC(=O)c1ccccc1)C2	mol24892	C[N+]1(O)C2CCC1CC(OC(=O)c1ccccc1)C2