[
  {
    "molid": "mol31735",
    "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc(S(=O)(=O)O)c3cccnc3c2O)cc1",
    "microspecies": [
      {
        "id": "0_7",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc(S(=O)(=O)O)c3cccnc3c2O)cc1",
        "std_free_energy": -0.27882131934165955,
        "relative_population": 0.9216030553552875
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc(S(=O)(=O)[O-])c3cccnc3c2O)cc1",
        "std_free_energy": -8.532084465026855,
        "relative_population": 0.9390428802530127
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.14,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]