[
  {
    "molid": "mol25326",
    "smiles": "Cn1c(O)n[n+](C)c1O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1c(O)[nH+][n+](C)c1[O-]",
        "std_free_energy": 7.09355354309082,
        "relative_population": 0.6829937668382404
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c(O)n[n+](C)c1O",
        "std_free_energy": 7.861117839813232,
        "relative_population": 0.31700623316175947
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cn1c(O)[nH+][n+](C)c1O",
        "std_free_energy": 15.044059753417969,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -4.8,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]