[
  {
    "molid": "mol23044",
    "smiles": "COc1ccc(/C=[N+](\\C)[O-])c(C(=O)O)c1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(/C=[N+](\\C)[O-])c(C(=O)O)c1OC",
        "std_free_energy": -2.1587510108947754,
        "relative_population": 0.1823070701583909
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc(/C=[N+](\\C)O)c(C(=O)[O-])c1OC",
        "std_free_energy": -3.659545421600342,
        "relative_population": 0.8176929298416091
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(/C=[N+](\\C)[O-])c(C(=O)[O-])c1OC",
        "std_free_energy": -11.166282653808594,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.66,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]