[
  {
    "molid": "mol10331",
    "smiles": "O=[PH](O)COc1ccc(Cl)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[P@H](O)COc1ccc(Cl)cc1Cl",
        "std_free_energy": -1.531285047531128,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[P@H]([O-])COc1ccc(Cl)cc1Cl",
        "std_free_energy": -12.087536811828613,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 0.980000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]