[
  {
    "molid": "mol34233",
    "smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(O)cc1[C@@H](NC(C)=O)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(O)cc1[C@@H](NC(C)=O)CC2",
        "std_free_energy": -4.920590400695801,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(=O)c([O-])cc1[C@@H](NC(C)=O)CC2",
        "std_free_energy": -1.8385722637176514,
        "relative_population": 0.9826676312932087
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.17999982833862,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]