[
  {
    "molid": "mol37932",
    "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "-1_17",
        "charge": -1,
        "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)([O-])O)[C@H](O)[C@@H]1O",
        "std_free_energy": -11.87324333190918,
        "relative_population": 0.8900315310585414
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@@](=O)(O)OP(=O)([O-])O)[C@H](O)[C@@H]1O",
        "std_free_energy": -13.275671005249023,
        "relative_population": 0.2510220583614381
      },
      {
        "id": "-2_13",
        "charge": -2,
        "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H]1O",
        "std_free_energy": -13.247734069824219,
        "relative_population": 0.24410632333733742
      },
      {
        "id": "-2_24",
        "charge": -2,
        "smiles": "[NH3+]c1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@@](=O)(O)OP(=O)([O-])[O-])[C@H](O)[C@@H]1O",
        "std_free_energy": -11.85945987701416,
        "relative_population": 0.060905878000730385
      },
      {
        "id": "-2_25",
        "charge": -2,
        "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)([O-])[O-])[C@H](O)[C@@H]1O",
        "std_free_energy": -12.391791343688965,
        "relative_population": 0.10371649380030275
      },
      {
        "id": "-2_26",
        "charge": -2,
        "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)(O)O)[C@H](O)[C@@H]1O",
        "std_free_energy": -13.358865737915039,
        "relative_population": 0.2727990789974326
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.07999992370606,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]