[
  {
    "molid": "mol15457",
    "smiles": "Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1C",
        "std_free_energy": -7.1540446281433105,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cnc([N-]S(=O)(=O)c2ccc(N)cc2)nc1C",
        "std_free_energy": -7.612372398376465,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]