[
  {
    "molid": "mol38550",
    "smiles": "O=C1NCC=CN1C1OC(COP(=O)(O)O)C(O)C1O",
    "microspecies": [
      {
        "id": "-3_6",
        "charge": -3,
        "smiles": "O=C1[N-]CC=CN1[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O",
        "std_free_energy": 3.01418137550354,
        "relative_population": 0.9416253711100498
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C1NCC=CN1[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O",
        "std_free_energy": -11.017589569091797,
        "relative_population": 0.9999947383502139
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.40000009536743,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]