[
  {
    "molid": "mol31420",
    "smiles": "Cc1nc2ccccc2c(=O)n1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH+]c2ccccc2c(=O)n1[O-]",
        "std_free_energy": -3.0947868824005127,
        "relative_population": 0.0597835040846118
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc2ccccc2c(=O)n1O",
        "std_free_energy": -5.850167274475098,
        "relative_population": 0.9402164959153881
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2ccccc2c(=O)n1[O-]",
        "std_free_energy": -4.331438064575195,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]