[
  {
    "molid": "mol37043",
    "smiles": "O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C=NO)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([CH-][n+]1cccc(C=NO)c1)C[n+]1cccc(C=N[O-])c1",
        "std_free_energy": 0.34696030616760254,
        "relative_population": 0.11118100701860664
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([CH-][n+]1cccc(C=N[O-])c1)C[n+]1cccc(C=NO)c1",
        "std_free_energy": -0.8646001219749451,
        "relative_population": 0.37342605081280883
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      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C(C[n+]1cccc(C=N[O-])c1)C[n+]1cccc(C=N[O-])c1",
        "std_free_energy": -1.1748466491699219,
        "relative_population": 0.5092639878976661
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(C[n+]1cccc(C=N[O-])c1)C[n+]1cccc(C=NO)c1",
        "std_free_energy": -3.6614797115325928,
        "relative_population": 0.9847145686517357
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.05000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]