[
  {
    "molid": "mol37146",
    "smiles": "O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O",
        "std_free_energy": -8.986665725708008,
        "relative_population": 0.9999757619277312
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])C(Sc1ccc(Cl)cc1)P(=O)(O)O",
        "std_free_energy": -11.824880599975586,
        "relative_population": 0.2213966487151917
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)([O-])O",
        "std_free_energy": -13.082422256469727,
        "relative_population": 0.7786000815116441
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.26999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]