[
  {
    "molid": "mol9162",
    "smiles": "Cc1nc(=O)[nH]c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(=O)[nH]c(=O)[nH]1",
        "std_free_energy": -5.7768144607543945,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(=O)[nH]c(=O)[n-]1",
        "std_free_energy": -3.473508358001709,
        "relative_population": 0.653444341759822
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1nc(=O)[n-]c(=O)[nH]1",
        "std_free_energy": -2.83929443359375,
        "relative_population": 0.34655565824017803
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]