[
  {
    "molid": "mol27211",
    "smiles": "Cc1ccc(C(=O)NCO)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(C(=O)NC[O-])cc1",
        "std_free_energy": 7.458370685577393,
        "relative_population": 0.16182835107649587
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(C(=O)[N-]CO)cc1",
        "std_free_energy": 5.813683986663818,
        "relative_population": 0.8381716489235042
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc(C(=O)[N-]C[O-])cc1",
        "std_free_energy": 9.57908821105957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.06,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]