[
  {
    "molid": "mol35464",
    "smiles": "Cc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc(C)c1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc(C)c1O",
        "std_free_energy": -5.554327487945557,
        "relative_population": 0.9999968701086337
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc(C)c1[O-]",
        "std_free_energy": -2.4016308784484863,
        "relative_population": 0.8432600595629638
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(/N=N/c2ccc(S([NH-])(=O)=O)cc2)cc(C)c1O",
        "std_free_energy": -0.7189434766769409,
        "relative_population": 0.15673994043703632
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.67999982833862,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]