[
  {
    "molid": "mol35972",
    "smiles": "O=C(O)C(CP(=O)(O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-5_3",
        "charge": -5,
        "smiles": "O=C([O-])[C@@H](CP(=O)([O-])[O-])P(=O)([O-])[O-]",
        "std_free_energy": -14.305506706237793,
        "relative_population": 0.9999921706291112
      },
      {
        "id": "-4_9",
        "charge": -4,
        "smiles": "O=C([O-])[C@@H](CP(=O)([O-])[O-])P(=O)([O-])O",
        "std_free_energy": -14.632027626037598,
        "relative_population": 0.38414098064989255
      },
      {
        "id": "-4_14",
        "charge": -4,
        "smiles": "O=C(O)[C@@H](CP(=O)([O-])[O-])P(=O)([O-])[O-]",
        "std_free_energy": -13.824593544006348,
        "relative_population": 0.17132726198727163
      },
      {
        "id": "-4_17",
        "charge": -4,
        "smiles": "O=C([O-])[C@@H](CP(=O)([O-])O)P(=O)([O-])[O-]",
        "std_free_energy": -14.778020858764648,
        "relative_population": 0.44452347026031613
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3199996948242,
        "charge_state_pre": -4,
        "charge_state_post": -5,
        "data_source": "QSARToolbox"
      }
    ]
  }
]