[
  {
    "molid": "mol9698",
    "smiles": "Cn1c(=O)[nH]c(=O)c2[nH]c(=O)[nH]c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)[nH]c(=O)c2[nH]c(=O)[nH]c21",
        "std_free_energy": -4.91187858581543,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1c(=O)[nH]c(=O)c2[nH]c(=O)[n-]c21",
        "std_free_energy": -5.599067211151123,
        "relative_population": 0.5128990701931355
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cn1c(=O)[nH]c(=O)c2[n-]c(=O)[nH]c21",
        "std_free_energy": -5.496808052062988,
        "relative_population": 0.46304300005510735
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]