[
  {
    "molid": "mol30509",
    "smiles": "COc1cc(O)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(O)ccc1O",
        "std_free_energy": -7.480321407318115,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(O)ccc1[O-]",
        "std_free_energy": 0.5209112763404846,
        "relative_population": 0.4672639317497825
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc([O-])ccc1O",
        "std_free_energy": 0.3897794187068939,
        "relative_population": 0.5327360682502176
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cc([O-])ccc1[O-]",
        "std_free_energy": 11.407164573669434,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.055,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]