[
  {
    "molid": "mol31127",
    "smiles": "COC1=C(O)C(=O)NC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC1=C(O)C(=O)NC1",
        "std_free_energy": -6.574764251708984,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC1=C([O-])C(=O)NC1",
        "std_free_energy": -1.1450996398925781,
        "relative_population": 0.9672635100965924
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]