[
  {
    "molid": "mol25327",
    "smiles": "CN1NC=C(CO)N1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1NC=C(CO)N1N",
        "std_free_energy": -6.0634446144104,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1NC=C(CO)N1N",
        "std_free_energy": -1.624927043914795,
        "relative_population": 0.16560452535419093
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1NC=C(CO)[NH+]1N",
        "std_free_energy": -1.7068737745285034,
        "relative_population": 0.17974681892200778
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN1NC=C(CO)N1[NH3+]",
        "std_free_energy": -2.366818428039551,
        "relative_population": 0.3477535199144675
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CN1[NH2+]C=C(CO)N1N",
        "std_free_energy": -2.241830587387085,
        "relative_population": 0.30689513580933375
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.53,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]