[
  {
    "molid": "mol12209",
    "smiles": "Oc1ccc(N=Nc2cc(-c3ccccc3)ccc2O)c(O)c1",
    "microspecies": [
      {
        "id": "0_7",
        "charge": 0,
        "smiles": "Oc1ccc(N=Nc2cc(-c3ccccc3)ccc2O)c(O)c1",
        "std_free_energy": -5.778236389160156,
        "relative_population": 0.9994880055801547
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "[O-]c1ccc(N=Nc2cc(-c3ccccc3)ccc2[O-])c([O-])c1",
        "std_free_energy": 9.531400680541992,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cc(O)ccc1N=Nc1cc(-c2ccccc2)ccc1O",
        "std_free_energy": -2.4253714084625244,
        "relative_population": 0.28168267759321847
      },
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "[O-]c1ccc(N=Nc2cc(-c3ccccc3)ccc2O)c(O)c1",
        "std_free_energy": -2.8555328845977783,
        "relative_population": 0.43308874323388796
      },
      {
        "id": "-1_7",
        "charge": -1,
        "smiles": "[O-]c1ccc(-c2ccccc2)cc1N=Nc1ccc(O)cc1O",
        "std_free_energy": -2.4332706928253174,
        "relative_population": 0.28391658066536246
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1ccc(N=Nc2cc(-c3ccccc3)ccc2[O-])c(O)c1",
        "std_free_energy": 4.380217552185059,
        "relative_population": 0.6251285905656099
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]c1ccc(N=Nc2cc(-c3ccccc3)ccc2O)c([O-])c1",
        "std_free_energy": 6.25372314453125,
        "relative_population": 0.09600994512291494
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "[O-]c1cc(O)ccc1N=Nc1cc(-c2ccccc2)ccc1[O-]",
        "std_free_energy": 5.445494651794434,
        "relative_population": 0.2154395314973774
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.4,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]