[
  {
    "molid": "mol29952",
    "smiles": "Nc1cc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "Nc1cc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[n-]1",
        "std_free_energy": 4.968992710113525,
        "relative_population": 0.49445747317837707
      },
      {
        "id": "-3_9",
        "charge": -3,
        "smiles": "Nc1cc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H]([O-])[C@H]2O)c(=O)[nH]1",
        "std_free_energy": 6.65873908996582,
        "relative_population": 0.09126020007624834
      },
      {
        "id": "-3_12",
        "charge": -3,
        "smiles": "Nc1cc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2[O-])c(=O)[nH]1",
        "std_free_energy": 6.339653491973877,
        "relative_population": 0.12556208856874998
      },
      {
        "id": "-3_14",
        "charge": -3,
        "smiles": "[NH-]c1cc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2[O-])c(=O)[nH]1",
        "std_free_energy": 7.188855171203613,
        "relative_population": 0.05370997221678302
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "Nc1cc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1",
        "std_free_energy": -10.788908958435059,
        "relative_population": 0.9999984002370752
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.49,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]