[
  {
    "molid": "mol31013",
    "smiles": "CC1=C/C(=C(\\c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)cccc2Cl)C=C(C(=O)O)C1=O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CC1=C/C(=C(\\c2cc(C)c([O-])c(C(=O)[O-])c2)c2c(Cl)cccc2Cl)C=C(C(=O)[O-])C1=O",
        "std_free_energy": -1.2956435680389404,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC1=C/C(=C(\\c2cc(C)c(O)c(C(=O)[O-])c2)c2c(Cl)cccc2Cl)C=C(C(=O)[O-])C1=O",
        "std_free_energy": -11.797687530517578,
        "relative_population": 0.9997504302653398
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]