[
  {
    "molid": "mol11978",
    "smiles": "Cc1ccc(N=NN(O)c2ccc(C)cc2)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1ccc(N=NN(O)c2ccc(C)cc2)cc1",
        "std_free_energy": -5.198297023773193,
        "relative_population": 0.9999936607074124
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(N=NN([O-])c2ccc(C)cc2)cc1",
        "std_free_energy": -5.855184078216553,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.18,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]