pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.43	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	mol21818	CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
9.6599998	OCHEM	1	0	C[NH+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	mol21818	CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2