[
  {
    "molid": "mol78",
    "smiles": "CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(C)C(=O)Oc1cccc([C@@H](C)N(C)C)c1",
        "std_free_energy": -3.411176919937134,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(C)C(=O)Oc1cccc([C@@H](C)[NH+](C)C)c1",
        "std_free_energy": -8.36802864074707,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AvLiLuMoVe"
      }
    ]
  }
]