[
  {
    "molid": "mol23141",
    "smiles": "CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3",
        "std_free_energy": -6.066973686218262,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3",
        "std_free_energy": -5.031415939331055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.99,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]