[
  {
    "molid": "mol34329",
    "smiles": "CCCCP(=O)(CCCC)C(C)(O)C(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCP(=O)(CCCC)[C@@](C)(O)C(C)=O",
        "std_free_energy": -6.310544013977051,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCP(=O)(CCCC)[C@@](C)([O-])C(C)=O",
        "std_free_energy": 0.8188090324401855,
        "relative_population": 0.9924783201096256
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.2399997711182,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]