[
  {
    "molid": "mol21210",
    "smiles": "CC1(C)CCc2cc(O)c(Cl)cc2O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)CCc2cc(O)c(Cl)cc2O1",
        "std_free_energy": -6.2381391525268555,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)CCc2cc([O-])c(Cl)cc2O1",
        "std_free_energy": -0.6422355771064758,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]