[
  {
    "molid": "mol6656",
    "smiles": "Cc1nc[nH]c1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH+]c[nH]c1C(=O)[O-]",
        "std_free_energy": -8.881431579589844,
        "relative_population": 0.9676409939792915
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]c[nH]c1C(=O)O",
        "std_free_energy": 0.7105956673622131,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc[nH]c1C(=O)[O-]",
        "std_free_energy": -7.035070896148682,
        "relative_population": 0.9995096215058848
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.01,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.53,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]