pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.12	AttenGpKa training set	0	-1	CCO[P@@](=O)([O-])O[C@H]1C[C@H](n2ccc(N)[nH+]c2=O)O[C@@H]1CO,CCO[P@@](=O)([O-])O[C@H]1C[C@H](n2ccc([NH3+])nc2=O)O[C@@H]1CO	CCO[P@@](=O)([O-])O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1CO	mol29893	CCOP(=O)(O)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1CO