[
  {
    "molid": "mol13939",
    "smiles": "CCc1ccc(O)c(CN(C)C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1ccc([O-])c(C[NH+](C)C)c1",
        "std_free_energy": -3.2984931468963623,
        "relative_population": 0.31176362796912493
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCc1ccc(O)c(CN(C)C)c1",
        "std_free_energy": -4.0903801918029785,
        "relative_population": 0.6882363720308752
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1ccc(O)c(C[NH+](C)C)c1",
        "std_free_energy": -9.488505363464355,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.51,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.5100002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]