[
  {
    "molid": "mol2583",
    "smiles": "CCC(=O)O[C@]1(c2ccccc2)CC[N@](C)C[C@@H]1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@@H]1C",
        "std_free_energy": -3.159233570098877,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC(=O)O[C@]1(c2ccccc2)CC[NH+](C)C[C@@H]1C",
        "std_free_energy": -8.13292121887207,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Jensen"
      }
    ]
  }
]