[
  {
    "molid": "mol23258",
    "smiles": "COc1cc(OC)c(OC)c([C@@H]2OC(=O)c3c2c(C(=O)O)c2cccc(OC)c2c3OC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(OC)c(OC)c([C@@H]2OC(=O)c3c2c(C(=O)O)c2cccc(OC)c2c3OC)c1",
        "std_free_energy": -2.1028356552124023,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(OC)c(OC)c([C@@H]2OC(=O)c3c2c(C(=O)[O-])c2cccc(OC)c2c3OC)c1",
        "std_free_energy": -9.39592170715332,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]