[
  {
    "molid": "mol34726",
    "smiles": "CC(=O)NS(=O)(=O)c1ccc(N=NC2SC(=S)N(Nc3ccccc3)C2=O)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)NS(=O)(=O)c1ccc(N=N[c-]2sc(=S)n(Nc3ccccc3)c2=O)cc1",
        "std_free_energy": -8.005948066711426,
        "relative_population": 0.24818163654306863
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC(=O)[N-]S(=O)(=O)c1ccc(N=N[C@H]2SC(=S)N(Nc3ccccc3)C2=O)cc1",
        "std_free_energy": -9.104175567626953,
        "relative_population": 0.7442584729789247
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      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)NS(=O)(=O)c1ccc(N=N[c-]2sc(=S)n([N-]c3ccccc3)c2=O)cc1",
        "std_free_energy": -3.157902479171753,
        "relative_population": 0.06958464152026003
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "CC(=O)[N-]S(=O)(=O)c1ccc(N=N[c-]2sc(=S)n(Nc3ccccc3)c2=O)cc1",
        "std_free_energy": -5.720616817474365,
        "relative_population": 0.902580798370379
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.31999969482422,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]