[
  {
    "molid": "mol8915",
    "smiles": "COP(=O)(O)OP(=O)(O)OP(=O)(O)O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "CO[P@@](=O)([O-])O[P@](=O)([O-])OP(=O)([O-])[O-]",
        "std_free_energy": -13.671980857849121,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CO[P@@](=O)(O)O[P@](=O)([O-])OP(=O)([O-])[O-]",
        "std_free_energy": -13.697999000549316,
        "relative_population": 0.2065564127927227
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "CO[P@@](=O)([O-])O[P@](=O)(O)OP(=O)([O-])[O-]",
        "std_free_energy": -14.226405143737793,
        "relative_population": 0.3503664839704446
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "CO[P@@](=O)([O-])O[P@](=O)([O-])OP(=O)([O-])O",
        "std_free_energy": -14.461169242858887,
        "relative_population": 0.44307710323683264
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.45,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.44999980926514,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]