[
  {
    "molid": "mol29467",
    "smiles": "CC(=O)NC(Cc1cc(F)c(O)c(F)c1)C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N[C@H](Cc1cc(F)c(O)c(F)c1)C(N)=O",
        "std_free_energy": -5.301486968994141,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)N[C@H](Cc1cc(F)c([O-])c(F)c1)C(N)=O",
        "std_free_energy": -2.979722261428833,
        "relative_population": 0.951019938218595
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]