[
  {
    "molid": "mol11177",
    "smiles": "O=C1CC(c2ccccc2)=C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC(c2ccccc2)=C1O",
        "std_free_energy": -4.511128902435303,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[CH-]C(c2ccccc2)=C1O",
        "std_free_energy": -1.9442660808563232,
        "relative_population": 0.3903438005787878
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CC(c2ccccc2)=C1[O-]",
        "std_free_energy": -2.3901333808898926,
        "relative_population": 0.6096561994212122
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]