[
  {
    "molid": "mol32531",
    "smiles": "O=C(O)c1ccccc1N=CC=Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1ccccc1[NH+]=CC=Cc1ccccc1",
        "std_free_energy": -7.886962890625,
        "relative_population": 0.9096627518141587
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1ccccc1N=CC=Cc1ccccc1",
        "std_free_energy": -5.577438831329346,
        "relative_population": 0.09033724818584137
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)c1ccccc1[NH+]=CC=Cc1ccccc1",
        "std_free_energy": 1.9572993516921997,
        "relative_population": 0.9697593685053978
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.1199999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]