[
  {
    "molid": "mol17305",
    "smiles": "NS(=O)(=O)C1=NN2CCS(=O)(=O)N=C2S1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NS(=O)(=O)C1=NN2CCS(=O)(=O)N=C2S1",
        "std_free_energy": -5.448305130004883,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]S(=O)(=O)C1=NN2CCS(=O)(=O)N=C2S1",
        "std_free_energy": -3.500459909439087,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]