[
  {
    "molid": "mol14975",
    "smiles": "CNc1nc(O)[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1nc([O-])[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C",
        "std_free_energy": -6.2100324630737305,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1nc(O)[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C",
        "std_free_energy": -0.24412581324577332,
        "relative_population": 0.9454342479789245
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]c1nc([O-])[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C",
        "std_free_energy": 2.608112096786499,
        "relative_population": 0.05456575202107548
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]