[
  {
    "molid": "mol19224",
    "smiles": "O=C(Cc1ccccc1)NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Cc1ccccc1)NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O",
        "std_free_energy": -6.591999053955078,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([CH-]c1ccccc1)NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O",
        "std_free_energy": 3.513845682144165,
        "relative_population": 0.6043249264027541
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(Cc1ccccc1)[N-]C1=C(c2ccoc2)C(=O)c2ccccc2C1=O",
        "std_free_energy": 3.937364339828491,
        "relative_population": 0.3956750735972459
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]