[
  {
    "molid": "mol29662",
    "smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)O2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)O)O2",
        "std_free_energy": -3.147329807281494,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)[O-])O2",
        "std_free_energy": -9.999361038208008,
        "relative_population": 0.9999766498178249
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1c(C)c2c(c(C)c1[O-])CC[C@](C)(C(=O)[O-])O2",
        "std_free_energy": 1.8318129777908325,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.97,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]