[
  {
    "molid": "mol14532",
    "smiles": "O=C(O)CCc1nnnn1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)CCc1nnnn1-c1ccccc1",
        "std_free_energy": -5.210865020751953,
        "relative_population": 0.9999999974708428
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCc1nnnn1-c1ccccc1",
        "std_free_energy": -8.666309356689453,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]