pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.35	AttenGpKa training set	2	1	CCO[P@](=O)([O-])O[C@H]1C[C@H](N2C=[NH+][C@@H]3C(N)=[NH+]C=[NH+][C@@H]32)O[C@@H]1CO	CCO[P@](=O)([O-])O[C@H]1C[C@H](N2C=N[C@@H]3C(N)=[NH+]C=[NH+][C@@H]32)O[C@@H]1CO,CCO[P@](=O)([O-])O[C@H]1C[C@H](N2C=[NH+][C@@H]3C(N)=NC=[NH+][C@@H]32)O[C@@H]1CO,CCO[P@](=O)(O)O[C@H]1C[C@H](N2C=N[C@@H]3C(N)=[NH+]C=N[C@@H]32)O[C@@H]1CO	mol29947	CCOP(=O)(O)O[C@H]1C[C@H](N2C=NC3C(N)=NC=NC32)O[C@@H]1CO