[
  {
    "molid": "mol2598",
    "smiles": "N[C@H](Cc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -12.12256145477295,
        "relative_population": 0.9999717362162096
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -6.160043716430664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Jensen"
      }
    ]
  }
]