[
  {
    "molid": "mol37570",
    "smiles": "O=C(Nc1nnn[nH]1)c1cc([N+](=O)[O-])ccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Nc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1O",
        "std_free_energy": -4.412276268005371,
        "relative_population": 0.42025590352318754
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        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(Nc1nnn[nH]1)c1cc([N+](=O)[O-])ccc1[O-]",
        "std_free_energy": -4.428019046783447,
        "relative_population": 0.4269242506792848
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([N-]c1nnn[nH]1)c1cc([N+](=O)[O-])ccc1O",
        "std_free_energy": -3.400672197341919,
        "relative_population": 0.15281984579752755
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        "id": "-2_1",
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        "smiles": "O=C(Nc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1[O-]",
        "std_free_energy": -4.190361022949219,
        "relative_population": 0.9126412169365455
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      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([N-]c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1O",
        "std_free_energy": -1.838036298751831,
        "relative_population": 0.0868357243261435
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.59000015258789,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]