[
  {
    "molid": "mol34281",
    "smiles": "O=P(O)(CP(=O)(O)c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[P@](O)(C[P@](=O)(O)c1ccccc1)c1ccccc1",
        "std_free_energy": -1.261221170425415,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[P@]([O-])(C[P@](=O)(O)c1ccccc1)c1ccccc1",
        "std_free_energy": -11.363677978515625,
        "relative_population": 0.9999996220624727
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.78999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]