[
  {
    "molid": "mol9696",
    "smiles": "O=C1CNc2[nH]c(=O)[nH]c(=O)c2N1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CNc2[n-]c(=O)[nH]c(=O)c2N1",
        "std_free_energy": -3.619008779525757,
        "relative_population": 0.7656215494364479
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CNc2[nH]c(=O)[n-]c(=O)c2N1",
        "std_free_energy": -2.435257911682129,
        "relative_population": 0.23437845056355214
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1CNc2[n-]c(=O)[n-]c(=O)c2N1",
        "std_free_energy": 4.785562992095947,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.07,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]