[
  {
    "molid": "mol34351",
    "smiles": "COP(C)(=O)C(C)(C)C(=O)C(C)(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[P@@](C)(=O)C(C)(C)C(=O)C(C)(C)C(=O)O",
        "std_free_energy": -3.5417323112487793,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CO[P@@](C)(=O)C(C)(C)C(=O)C(C)(C)C(=O)[O-]",
        "std_free_energy": -8.976668357849121,
        "relative_population": 0.999999403311524
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]