[
  {
    "molid": "mol11582",
    "smiles": "NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "N[C@H](Cc1c[n-]c2ccc([O-])cc12)C(=O)[O-]",
        "std_free_energy": 14.696922302246094,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N[C@H](Cc1c[nH]c2ccc([O-])cc12)C(=O)[O-]",
        "std_free_energy": 3.914703130722046,
        "relative_population": 0.9986526242367906
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 17.95,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]