[
  {
    "molid": "mol14896",
    "smiles": "Cc1c2ccncc2cc2c1[nH]c1ccncc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c2ccncc2cc2c1[nH]c1ccncc12",
        "std_free_energy": -5.0976433753967285,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c2ccncc2cc2c1[nH]c1cc[nH+]cc12",
        "std_free_energy": -7.288814067840576,
        "relative_population": 0.5100807594318368
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1c2cc[nH+]cc2cc2c1[nH]c1ccncc12",
        "std_free_energy": -7.248485565185547,
        "relative_population": 0.48991924056816316
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1c2cc[nH+]cc2cc2c1[nH]c1cc[nH+]cc12",
        "std_free_energy": -5.4043731689453125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.3,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.30000019073486,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]