[
  {
    "molid": "mol32336",
    "smiles": "Nc1ccc(S(=O)(=O)Nc2nccs2)cc1N=Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(S(=O)(=O)Nc2nccs2)cc1N=Nc1ccccc1",
        "std_free_energy": -5.804300308227539,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1N=Nc1ccccc1",
        "std_free_energy": -7.102758884429932,
        "relative_population": 0.9999880956686895
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8499999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]