[
  {
    "molid": "mol15384",
    "smiles": "O=C(CC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -6.2131500244140625,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([CH-]C(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": 0.005782410502433777,
        "relative_population": 0.5298100466133846
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(CC(=O)c1ccccc1)[N-]c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": 0.1251641809940338,
        "relative_population": 0.47018995338661546
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.91,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.9099998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]