[
  {
    "molid": "mol37509",
    "smiles": "O=C(CC(=O)c1cc2ccccc2cc1O)c1ccco1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CC(=O)c1cc2ccccc2cc1[O-])c1ccco1",
        "std_free_energy": -1.5719351768493652,
        "relative_population": 0.20746388962121254
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([CH-]C(=O)c1cc2ccccc2cc1O)c1ccco1",
        "std_free_energy": -2.9122159481048584,
        "relative_population": 0.7925361103787875
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([CH-]C(=O)c1cc2ccccc2cc1[O-])c1ccco1",
        "std_free_energy": -0.24177062511444092,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.44999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]