[
  {
    "molid": "mol10948",
    "smiles": "O=c1cc(-c2ccccc2)[nH]o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc(-c2ccccc2)[nH]o1",
        "std_free_energy": -2.445822238922119,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(-c2ccccc2)[n-]o1",
        "std_free_energy": -8.522052764892578,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.01,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]