[
  {
    "molid": "mol7038",
    "smiles": "Cc1c(N)nc(O)nc1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c(N)nc(O)nc1O",
        "std_free_energy": -6.471163272857666,
        "relative_population": 0.9998241783617926
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(O)nc(O)[nH+]c1N",
        "std_free_energy": 3.8292336463928223,
        "relative_population": 0.2658798556332516
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1c([NH3+])nc(O)nc1O",
        "std_free_energy": 4.504280090332031,
        "relative_population": 0.13536814842982234
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1c(N)nc(O)[nH+]c1O",
        "std_free_energy": 3.0177206993103027,
        "relative_population": 0.5985783836633439
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(N)nc(O)nc1[O-]",
        "std_free_energy": -3.485935688018799,
        "relative_population": 0.9151524777628306
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1c(N)nc([O-])nc1O",
        "std_free_energy": -1.1076724529266357,
        "relative_population": 0.08484511846398252
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 0.02,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]