pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.61	Organic Oxygen Acids and Nitrogen Bases	1	0	COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1[NH+]2C	COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1N2C	mol21816	COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C
8.6300001	OCHEM	1	0	COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1[NH+]2C	COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1N2C	mol21816	COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C