[
  {
    "molid": "mol37580",
    "smiles": "O=C1C=C(c2c(O)ccc3ccccc23)c2cc(O)ccc2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C=C(c2c(O)ccc3ccccc23)c2cc(O)ccc2C1=O",
        "std_free_energy": -5.1630353927612305,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C=C(c2c([O-])ccc3ccccc23)c2cc(O)ccc2C1=O",
        "std_free_energy": -2.099454402923584,
        "relative_population": 0.29869864223514414
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C=C(c2c(O)ccc3ccccc23)c2cc([O-])ccc2C1=O",
        "std_free_energy": -2.9529569149017334,
        "relative_population": 0.7013013577648558
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.46000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]