[
  {
    "molid": "mol29683",
    "smiles": "COc1c(O)ccc2oc3ccc(O)cc3c(=O)c12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1c(O)ccc2oc3ccc([O-])cc3c(=O)c12",
        "std_free_energy": -0.9430401921272278,
        "relative_population": 0.48069136897170084
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1c([O-])ccc2oc3ccc(O)cc3c(=O)c12",
        "std_free_energy": -1.0203131437301636,
        "relative_population": 0.5193086310282992
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1c([O-])ccc2oc3ccc([O-])cc3c(=O)c12",
        "std_free_energy": 8.958545684814453,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.88,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]