[
  {
    "molid": "mol15381",
    "smiles": "O=C(CC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1",
        "std_free_energy": -6.512058258056641,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([CH-]C(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1",
        "std_free_energy": 0.4748656153678894,
        "relative_population": 0.7684879857624242
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(CC(=O)c1ccccc1)[N-]c1cccc([N+](=O)[O-])c1",
        "std_free_energy": 1.6746587753295898,
        "relative_population": 0.23151201423757578
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]