[
  {
    "molid": "mol15033",
    "smiles": "Nc1ccc(-c2ccc(/N=C/c3ccccc3O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1ccc(-c2ccc(/[NH+]=C\\c3ccccc3[O-])cc2)cc1",
        "std_free_energy": -3.0867903232574463,
        "relative_population": 0.24907848314838246
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Nc1ccc(-c2ccc(/N=C\\c3ccccc3O)cc2)cc1",
        "std_free_energy": -4.190298557281494,
        "relative_population": 0.7509028437289538
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(-c2ccc(/N=C\\c3ccccc3O)cc2)cc1",
        "std_free_energy": -5.291355609893799,
        "relative_population": 0.17236821158784163
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1ccc(-c2ccc(/[NH+]=C\\c3ccccc3O)cc2)cc1",
        "std_free_energy": -6.860171318054199,
        "relative_population": 0.8275327320753562
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(-c2ccc(/N=C\\c3ccccc3[O-])cc2)cc1",
        "std_free_energy": 6.279742240905762,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]