[
  {
    "molid": "mol34333",
    "smiles": "CCCCP(=O)(CCCC)C(O)c1ccc(OC)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCP(=O)(CCCC)[C@H](O)c1ccc(OC)cc1",
        "std_free_energy": -7.262974739074707,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCP(=O)(CCCC)[C-](O)c1ccc(OC)cc1",
        "std_free_energy": 5.095279693603516,
        "relative_population": 0.7256837517115865
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCC[CH-]P(=O)(CCCC)[C@H](O)c1ccc(OC)cc1",
        "std_free_energy": 6.219911098480225,
        "relative_population": 0.23568187569687898
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.0500001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]