[
  {
    "molid": "mol18664",
    "smiles": "O=C1OC(c2ccccc2)CC(O)=C1Sc1ccccc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1O[C@@H](c2ccccc2)CC(O)=C1Sc1ccccc1Cl",
        "std_free_energy": -2.567873954772949,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1O[C@@H](c2ccccc2)CC([O-])=C1Sc1ccccc1Cl",
        "std_free_energy": -8.167888641357422,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]