[
  {
    "molid": "mol34308",
    "smiles": "O=P(O)(O)OCCOc1ccc(Cl)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)OCCOc1ccc(Cl)cc1Cl",
        "std_free_energy": -0.25334298610687256,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)OCCOc1ccc(Cl)cc1Cl",
        "std_free_energy": -12.084644317626953,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.04999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]