[
  {
    "molid": "mol33961",
    "smiles": "O=P(O)(O)C(F)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])C(F)P(=O)([O-])O",
        "std_free_energy": -15.314462661743164,
        "relative_population": 0.9979179337353883
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])C(F)P(=O)(O)O",
        "std_free_energy": -13.645359992980957,
        "relative_population": 0.30877159376413765
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])(O)C(F)P(=O)([O-])O",
        "std_free_energy": -14.451149940490723,
        "relative_population": 0.691174118385497
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)C(F)P(=O)(O)O",
        "std_free_energy": -9.312734603881836,
        "relative_population": 0.9991956067516865
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.61999988555908,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.77999997138977,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]