[
  {
    "molid": "mol32595",
    "smiles": "Nc1cccc2nnn(C3CC(O)C(CO)O3)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2nnn([C@@H]3C[C@H](O)[C@H](CO)O3)c12",
        "std_free_energy": -7.650500297546387,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc2[nH+]nn([C@@H]3C[C@H](O)[C@H](CO)O3)c12",
        "std_free_energy": 4.547085762023926,
        "relative_population": 0.28379181941371134
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1cccc2nnn([C@@H]3C[C@H](O)[C@H](CO)O3)c12",
        "std_free_energy": 5.00587272644043,
        "relative_population": 0.1793705853125904
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Nc1cccc2n[nH+]n([C@@H]3C[C@H](O)[C@H](CO)O3)c12",
        "std_free_energy": 4.08240270614624,
        "relative_population": 0.4516574303411691
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      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Nc1cccc2nnn([C@@H]3C[C@H](O)[C@H](C[OH2+])O3)c12",
        "std_free_energy": 6.002379417419434,
        "relative_population": 0.06621766589309287
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]