[
  {
    "molid": "mol14982",
    "smiles": "Cc1nc(NS(=O)(=O)c2ccc(N)cc2)sc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(NS(=O)(=O)c2ccc(N)cc2)sc1C",
        "std_free_energy": -6.9136857986450195,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc([N-]S(=O)(=O)c2ccc(N)cc2)sc1C",
        "std_free_energy": -4.855930328369141,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.9699998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.96999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]