[
  {
    "molid": "mol21737",
    "smiles": "NC(=O)CNc1ccccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)CNc1ccccc1C(=O)O",
        "std_free_energy": -5.345386505126953,
        "relative_population": 0.9972376039520601
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)CNc1ccccc1C(=O)[O-]",
        "std_free_energy": -9.277214050292969,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]