[
  {
    "molid": "mol23560",
    "smiles": "CCC/C(=C\\c1ccc(N(C)C)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC/C(=C\\c1ccc([NH+](C)C)cc1)C(=O)[O-]",
        "std_free_energy": -5.682222843170166,
        "relative_population": 0.7694847796870639
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCC/C(=C\\c1ccc(N(C)C)cc1)C(=O)O",
        "std_free_energy": -4.476818561553955,
        "relative_population": 0.23051522031293614
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC/C(=C\\c1ccc(N(C)C)cc1)C(=O)[O-]",
        "std_free_energy": -8.27895736694336,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]