[
  {
    "molid": "mol9094",
    "smiles": "O=c1[nH]nc(Cl)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]nc(Cl)c(=O)[nH]1",
        "std_free_energy": -3.1327757835388184,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]nc(Cl)c(=O)[nH]1",
        "std_free_energy": -5.38478946685791,
        "relative_population": 0.340710189854496
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c(Cl)n[nH]1",
        "std_free_energy": -6.044920444488525,
        "relative_population": 0.6592898101455039
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]