[
  {
    "molid": "mol9692",
    "smiles": "O=C1C[C@H]2C(=O)NC(=O)[C@H]2N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@H]2C(=O)NC(=O)[C@H]2N1",
        "std_free_energy": -5.5500078201293945,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C[C@H]2C(=O)[N-]C(=O)[C@H]2N1",
        "std_free_energy": -1.6051973104476929,
        "relative_population": 0.49454061032370633
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C[C@H]2C(=O)NC(=O)[C@H]2[N-]1",
        "std_free_energy": -1.6270357370376587,
        "relative_population": 0.5054593896762937
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.14999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]