[
  {
    "molid": "mol34345",
    "smiles": "O=C(O)CCP(=O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCP(=O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -4.246649742126465,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CCP(=O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -8.927672386169434,
        "relative_population": 0.9999990286863767
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.30999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]