[
  {
    "molid": "mol33943",
    "smiles": "CCCCCCCCCCP(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCCCCP(=O)([O-])O",
        "std_free_energy": -12.090324401855469,
        "relative_population": 0.9999998886356503
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CCCCCCCCCCP(=O)([O-])[O-]",
        "std_free_energy": -10.468609809875488,
        "relative_population": 0.9999999043010898
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.96999979019165,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]