[
  {
    "molid": "mol9009",
    "smiles": "O=c1[nH][nH]c(=O)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH][nH]c(=O)c(=O)[nH]1",
        "std_free_energy": -2.264068126678467,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c(=O)[nH][nH]1",
        "std_free_energy": -6.374140739440918,
        "relative_population": 0.3181446095900704
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[nH][n-]c(=O)c(=O)[nH]1",
        "std_free_energy": -6.730316638946533,
        "relative_population": 0.4542655441476517
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=c1[n-][nH]c(=O)c(=O)[nH]1",
        "std_free_energy": -6.039179801940918,
        "relative_population": 0.22758984626227782
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]