[
  {
    "molid": "mol15383",
    "smiles": "O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1",
        "std_free_energy": -5.9712443351745605,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)[N-]c1ccccc1",
        "std_free_energy": 0.22276721894741058,
        "relative_population": 0.34960531889440477
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([CH-]C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1",
        "std_free_energy": -0.3980073034763336,
        "relative_population": 0.6503946811055954
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]