[
  {
    "molid": "mol29913",
    "smiles": "Nc1nc2c(ncn2[C@H]2CC(OP(=O)(O)O)[C@@H](CO)O2)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)([O-])O)[C@@H](CO)O2)c(=O)[nH]1",
        "std_free_energy": -12.47205924987793,
        "relative_population": 0.9967022754430652
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c(=O)[nH]1",
        "std_free_energy": -11.109175682067871,
        "relative_population": 0.9999849788607341
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.14,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]