[
  {
    "molid": "mol38204",
    "smiles": "Cc1cc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c2cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c2cc1C",
        "std_free_energy": -7.797340393066406,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2n[nH+]n([C@H]3C[C@H](O)[C@@H](CO)O3)c2cc1C",
        "std_free_energy": 5.496485233306885,
        "relative_population": 0.28052430283513735
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc2[nH+]nn([C@H]3C[C@H](O)[C@@H](CO)O3)c2cc1C",
        "std_free_energy": 4.5834879875183105,
        "relative_population": 0.6990047992720996
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.200000002980232,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]