[
  {
    "molid": "mol31734",
    "smiles": "C[C@@]1(c2ccccc2)CNC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@]1(c2ccccc2)CNC(=O)NC1=O",
        "std_free_energy": -7.268280982971191,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@]1(c2ccccc2)C[N-]C(=O)NC1=O",
        "std_free_energy": 3.6841561794281006,
        "relative_population": 0.607734162027323
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@]1(c2ccccc2)CNC(=O)[N-]C1=O",
        "std_free_energy": 4.121953964233398,
        "relative_population": 0.39226583797267706
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.01,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]