[
  {
    "molid": "mol34300",
    "smiles": "CCCCCCP(=O)(O)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCC[P@@](=O)(O)OCC",
        "std_free_energy": -2.6676764488220215,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCC[P@@](=O)([O-])OCC",
        "std_free_energy": -10.736136436462402,
        "relative_population": 0.9999999283831091
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.96000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]