[
  {
    "molid": "mol26243",
    "smiles": "CN1C(=O)NC(O)c2nccnc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN1C(=O)N[C@@H](O)c2nccnc21",
        "std_free_energy": -8.375374794006348,
        "relative_population": 0.9999999536569053
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C(=O)N[C-](O)c2nccnc21",
        "std_free_energy": -2.4600987434387207,
        "relative_population": 0.9337701432187981
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CN1C(=O)[N-][C@@H](O)c2nccnc21",
        "std_free_energy": 0.20172974467277527,
        "relative_population": 0.0651962414300413
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]