[
  {
    "molid": "mol11787",
    "smiles": "O=S(=O)(O)c1ccc(N=NN(O)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc(N=NN(O)c2ccccc2)cc1",
        "std_free_energy": -10.024855613708496,
        "relative_population": 0.9999903778564677
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(N=NN([O-])c2ccccc2)cc1",
        "std_free_energy": -8.652846336364746,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.99,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]