[
  {
    "molid": "mol31306",
    "smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1C(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": -4.965386390686035,
        "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": -2.0377895832061768,
        "relative_population": 0.9859706433984794
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]