[
  {
    "molid": "mol15424",
    "smiles": "CC1(C)C=CC(C)(c2cc3ccc(=O)oc3cc2O)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)C=C[C@](C)(c2cc3ccc(=O)oc3cc2O)CC1",
        "std_free_energy": -4.720917224884033,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)C=C[C@](C)(c2cc3ccc(=O)oc3cc2[O-])CC1",
        "std_free_energy": -1.6506280899047852,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.12,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.1199999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]