[
  {
    "molid": "mol37320",
    "smiles": "O=P(O)(O)OC1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O",
    "microspecies": [
      {
        "id": "-6_7",
        "charge": -6,
        "smiles": "O=P([O-])([O-])OC1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O",
        "std_free_energy": -13.59932804107666,
        "relative_population": 0.9999989554282348
      },
      {
        "id": "-5_2",
        "charge": -5,
        "smiles": "O=P([O-])([O-])O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](O)C(OP(=O)([O-])O)[C@@H]1O",
        "std_free_energy": -14.108819961547852,
        "relative_population": 0.4987792897525557
      },
      {
        "id": "-5_10",
        "charge": -5,
        "smiles": "O=P([O-])([O-])OC1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])O)[C@H]1O",
        "std_free_energy": -14.11369800567627,
        "relative_population": 0.5012183011043934
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.21000003814697,
        "charge_state_pre": -5,
        "charge_state_post": -6,
        "data_source": "QSARToolbox"
      }
    ]
  }
]