pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.26	AttenGpKa training set	-2	-3	CCOCO[P@](=O)([O-])OC[C@H]1O[C@@H]([C@@H]2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O[P@@](=O)([O-])OCC	CCOCO[P@](=O)([O-])OC[C@H]1O[C@@H]([C@@H]2C=CC(=O)[N-]C2=O)[C@H](O)[C@@H]1O[P@@](=O)([O-])OCC,CCOCO[P@](=O)([O-])OC[C@H]1O[C@@H]([c-]2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O[P@@](=O)([O-])OCC	mol30122	CCOCOP(=O)(O)OC[C@H]1O[C@@H](C2C=CC(=O)NC2=O)[C@H](O)[C@@H]1OP(=O)(O)OCC