[
  {
    "molid": "mol25234",
    "smiles": "Cc1ncn(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncn(C)n1",
        "std_free_energy": -7.074323654174805,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ncn(C)[nH+]1",
        "std_free_energy": 1.2640459537506104,
        "relative_population": 0.4527925572907353
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nn(C)c[nH+]1",
        "std_free_energy": 1.074652075767517,
        "relative_population": 0.5472074427092646
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.68,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]