[
  {
    "molid": "mol38591",
    "smiles": "COc1c(C)c2c(c(O)c1CCC(C)=CCC(=O)O)C(=O)OC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1c(C)c2c(c(O)c1CCC(C)=CCC(=O)O)C(=O)OC2",
        "std_free_energy": -3.594264030456543,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1c(C)c2c(c(O)c1CCC(C)=CCC(=O)[O-])C(=O)OC2",
        "std_free_energy": -8.640013694763184,
        "relative_population": 0.9989294803038791
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]