[
  {
    "molid": "mol11636",
    "smiles": "Oc1ccc(N=Nc2ncc(Br)cc2Br)c(O)c1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cc(O)ccc1N=Nc1ncc(Br)cc1Br",
        "std_free_energy": -3.6419601440429688,
        "relative_population": 0.37492601885475924
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[O-]c1ccc(N=Nc2ncc(Br)cc2Br)c(O)c1",
        "std_free_energy": -4.153061389923096,
        "relative_population": 0.6250489516652245
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1ccc(N=Nc2ncc(Br)cc2Br)c([O-])c1",
        "std_free_energy": 6.135083198547363,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]