[
  {
    "molid": "mol29053",
    "smiles": "O=P1(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[P@@]1(O)O[P@](=O)([O-])O[P@@](=O)(O)O[P@](=O)(O)O1",
        "std_free_energy": -7.79518461227417,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[P@@]1([O-])O[P@@](=O)([O-])O[P@@](=O)(O)O[P@@](=O)(O)O1",
        "std_free_energy": -13.18580150604248,
        "relative_population": 0.6647339628417913
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=[P@]1([O-])O[P@](=O)(O)O[P@@](=O)([O-])O[P@@](=O)(O)O1",
        "std_free_energy": -12.501338958740234,
        "relative_population": 0.3352660371582087
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.74,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]