identify_reactions.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Cytochromes P450 - Reactions\n",
    "\n",
    "Below is the code that can be used to identify and split reactions.\n",
    "\n",
    "Firstly I need to install all necessary packages:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import rdBase\n",
    "from rdkit import Chem\n",
    "from rdkit.Chem import AllChem\n",
    "from rdkit.Chem import Draw\n",
    "from rdkit.Chem import rdFMCS\n",
    "from rdkit.Chem import rdRascalMCES\n",
    "import pandas as pd"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Next, I need to import the database from the excel sheet as a pandas dataframe and preprocess it - i am only taking the rows where there are some records for the reactions."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [],
   "source": [
    "df = pd.read_csv(\"Cytochrome_P450_database.csv\",delimiter=';')\n",
    "df2 = df.copy()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "I am going to use two helper functions, they are very similar to the ones i use in the file final_MCS.ipynb for determining the SMARTS - get_chaning_index() and set_pattern()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [],
   "source": [
    "#This is a function which gets us the index of the changing atom\n",
    "def get_changing_index(molecule, pattern):\n",
    "    \"\"\"\n",
    "    Gets the index of the changing atom(s).\n",
    "    First finds the atoms that correspond to pattern and saves as hit_atoms.\n",
    "    Then, saves all possible atoms, substraction of these two sets gives the changing atoms.\n",
    "    \"\"\"\n",
    "    hit_atoms = list(molecule.GetSubstructMatch(pattern))\n",
    "    all_atoms_prod = list(molecule.GetSubstructMatch(molecule))\n",
    "    resulting_index = set(all_atoms_prod)-set(hit_atoms)\n",
    "    return resulting_index"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {},
   "outputs": [],
   "source": [
    "def pattern_using_MCS(structure_1, structure_2):\n",
    "    \"\"\"\n",
    "    Takes two structures, uses structure_1 as a pattern for structure_2. \n",
    "    If this isnt possible, finds maximum common substructure and uses it as a pattern instead.\n",
    "    Returns molecule and pattern. This function is used if Rascal MCES isn't possible. \n",
    "    \"\"\"\n",
    "    pattern = Chem.MolFromSmiles(structure_1)\n",
    "    molecule = Chem.MolFromSmiles(structure_2)\n",
    "    hit_atoms = list(molecule.GetSubstructMatch(pattern))\n",
    "    #First, we need to check if there are any hit atoms = if the molecule has a pattern\n",
    "    if len(hit_atoms) == 0:\n",
    "        MCS_pattern = rdFMCS.FindMCS([molecule,pattern])\n",
    "        pattern = Chem.MolFromSmarts(MCS_pattern.smartsString)\n",
    "        hit_atoms = list(molecule.GetSubstructMatch(pattern))\n",
    "    if len(hit_atoms) == 0:\n",
    "        print(\"Hit atoms still zero after using MCS!\")\n",
    "        return None\n",
    "    return get_changing_index(molecule, pattern)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {},
   "outputs": [],
   "source": [
    "def set_pattern(structure1,structure2):\n",
    "    \"\"\"\n",
    "    Sets pattern and molecule, then uses get_changing_index().\n",
    "    Attempts to use Rascal MCES to get multifragment maximum common substructure and use this as a pattern. \n",
    "    Checks for errors, if there is none, gets the changing index.\n",
    "    If there is an error or Rascal MCES isn't possible, uses a different approach via pattern_using_MCS().\n",
    "    \"\"\"\n",
    "    s1 = Chem.MolFromSmiles(structure1)\n",
    "    s2 = Chem.MolFromSmiles(structure2)\n",
    "    result_p = rdRascalMCES.FindMCES(s1,s2)\n",
    "    if result_p != []:\n",
    "        try:\n",
    "            result_p[0].smartsString\n",
    "            pattern = Chem.MolFromSmarts(result_p[0].smartsString)\n",
    "            return get_changing_index(s2, pattern)\n",
    "        except (IndexError, AttributeError, ValueError, RuntimeError):\n",
    "            return pattern_using_MCS(structure1, structure2)\n",
    "    else:\n",
    "        return pattern_using_MCS(structure1, structure2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {},
   "outputs": [],
   "source": [
    "def chemical_reaction(subs,prod):\n",
    "    \"\"\" \n",
    "    Takes a substrate and a product as an input, uses set_pattern() to find the index(es) of a changing atom(s) and the valence(s).\n",
    "    Returns changing atom(s) and valence(s) for substrate and product\n",
    "    \"\"\"\n",
    "    index_1 = set_pattern(subs,prod)\n",
    "    index_2 = set_pattern(prod,subs)\n",
    "    substrate_list = []\n",
    "    product_list = []\n",
    "    # Here it loops through all changing indexes, checks if each index in substrate is valid, if yes it records the valence and symbol\n",
    "    if index_2:\n",
    "        for i in list(index_2):\n",
    "            index_subs = i\n",
    "            changing_atom_subs = Chem.MolFromSmiles(subs).GetAtomWithIdx(index_subs).GetSymbol()\n",
    "            changing_valence_subs = Chem.MolFromSmiles(subs).GetAtomWithIdx(index_subs).GetExplicitValence()\n",
    "            substrate_list.append(changing_atom_subs)\n",
    "            substrate_list.append(changing_valence_subs)\n",
    "    # If it isnt valid (is an empty set), the atom does not exist (either was added or removed by the reaction)\n",
    "    # Here it does the same thing for the index(es) in product\n",
    "    if index_1:\n",
    "        for j in list(index_1):\n",
    "            index_prod = j\n",
    "            changing_atom_prod = Chem.MolFromSmiles(prod).GetAtomWithIdx(index_prod).GetSymbol()\n",
    "            changing_valence_prod = Chem.MolFromSmiles(prod).GetAtomWithIdx(index_prod).GetExplicitValence()\n",
    "            product_list.append(changing_atom_prod)\n",
    "            product_list.append(changing_valence_prod)\n",
    "    return substrate_list, product_list"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [],
   "source": [
    "from collections import Counter\n",
    "def checking_keys_in_dictionary(key, dick):\n",
    "    \"\"\"\n",
    "    Inputs are a key and a dictionary. Checks if the key appears in some form in the input dictionary.\n",
    "    If yes, returns True and the key. If not, returns False and None.\n",
    "    Example of use: reaction 1 is defined: ('C', 1, 'O', 1, 'C', 2), reaction 2: ('O', 1, 'C', 1, 'C', 2); they could be the same just differently ordered.\n",
    "    If this function wasn't used, they would be recorded as two different reactions even though they are the same.\n",
    "    \"\"\"\n",
    "    for new_keys in dick.keys(): \n",
    "        if Counter(key) == Counter(new_keys):\n",
    "            return True, new_keys\n",
    "    return False, None"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {},
   "outputs": [],
   "source": [
    "def bond_types(smiles_structure):\n",
    "    \"\"\"\n",
    "    Gets the number of each bond type - single, double and aromatic.\n",
    "    Loops through all bonds in the input structure.\n",
    "    Ouputs the number of occurances of each type.\n",
    "    \"\"\"\n",
    "    s_single, s_aromatic, s_double = 0, 0, 0\n",
    "    for bond in smiles_structure.GetBonds():\n",
    "        n = bond.GetIdx()\n",
    "        if str(smiles_structure.GetBondWithIdx(n).GetBondType()) == \"SINGLE\":\n",
    "            s_single += 1\n",
    "        elif str(smiles_structure.GetBondWithIdx(n).GetBondType()) == 'AROMATIC':\n",
    "            s_aromatic += 1\n",
    "        elif str(smiles_structure.GetBondWithIdx(n).GetBondType()) == 'DOUBLE':\n",
    "            s_double += 1\n",
    "    return s_single, s_aromatic, s_double"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {},
   "outputs": [],
   "source": [
    "def idenitfy_reactions(dataframe):\n",
    "    \"\"\"\n",
    "    This is the function that can be used to loop through all the reactions and identify them.\n",
    "    The input here is only the dataframe, chemical_reaction() function is used to identify the reaction.\n",
    "    Some reactions aren't identified straightaway so \"if/elif\" statements are used to manually alter this.\n",
    "    The indexes of those altered are saved to a list so that they can be checked afterwards.\n",
    "    The first output is a dictionary: keys are reactions, values the indexes.\n",
    "    Second output is a list of indexes of manually altered reactions.\n",
    "    \"\"\"\n",
    "    reaction_groups_index = {}\n",
    "    manually_altered_reactions = []\n",
    "    for i, row in dataframe.iterrows():\n",
    "        if pd.notna(row['Substrate SMILES']) and pd.notna(row['Product SMILES']):\n",
    "            print(i)\n",
    "            sub = max(row['Substrate SMILES'].split(';'),key=len)\n",
    "            prod = max(row['Product SMILES'].split(';'),key=len)\n",
    "            s_change, p_change = chemical_reaction(sub,prod)\n",
    "            reaction = tuple(s_change + p_change)\n",
    "            if reaction == ('H',1,'O',1): \n",
    "                # Manually identified group,hydroxylation happens (rdkit didnt ignore hydrogen atom)\n",
    "                reaction = ('O',1)\n",
    "                manually_altered_reactions.append(i)\n",
    "            elif reaction == ():\n",
    "                # If no other reaction was identified, it might be one of the cases below:\n",
    "                s_sub = Chem.MolFromSmiles(sub)\n",
    "                s_prod = Chem.MolFromSmiles(prod)\n",
    "                s_single, s_aromatic, s_double = bond_types(s_sub)\n",
    "                p_single, p_aromatic, p_double = bond_types(s_prod)\n",
    "                if (sub == '*[H]') and (prod == '*[O]'):\n",
    "                    # Sometimes there is a very general notation in the database, this one stands for hydroxylation\n",
    "                    reaction = ('O',1)\n",
    "                    manually_altered_reactions.append(i)\n",
    "                elif s_sub.GetRingInfo().NumRings() != s_prod.GetRingInfo().NumRings():\n",
    "                    # If the number of rings isnt consistent, a ring must have been created\n",
    "                    reaction = ('ring')\n",
    "                    manually_altered_reactions.append(i)\n",
    "                elif (s_single != p_single) and (s_aromatic != p_aromatic):\n",
    "                    # If the number of aromatic and single bond has changed, one of the rings changed aromaticity\n",
    "                    reaction = ('ring')\n",
    "                    manually_altered_reactions.append(i)\n",
    "                elif (s_single != p_single) and (s_double != p_double):\n",
    "                    # If the number of single AND double bonds changed, double bond was created\n",
    "                    reaction = ('double bond')\n",
    "                    manually_altered_reactions.append(i)\n",
    "                elif ('[Fe-]' in sub) and ('[Fe--]' in prod):\n",
    "                    # Checks for these specific iron atoms in the structures\n",
    "                    reaction = ('central iron atom reduction')\n",
    "                    manually_altered_reactions.append(i)\n",
    "            elif reaction == ('C',2,'C',2,'C',3,'C',3):\n",
    "                # Manually identified group where change in aromaticity happens\n",
    "                reaction = ('ring')\n",
    "                manually_altered_reactions.append(i)\n",
    "            elif reaction == ('C', 3, 'C', 3, 'O', 1) or reaction == ('C', 3, 'C', 1, 'O', 1):\n",
    "               # Manually identified groups where hydroxylation happens (there is also one E/Z change)\n",
    "                reaction = ('O',1)\n",
    "                manually_altered_reactions.append(i)\n",
    "            elif reaction == ('C', 3, 'C', 2, 'C', 4, 'C', 1, 'C', 4, 'C', 1, 'C', 4, 'O', 1, 'C', 3) or reaction == ('C', 3, 'C', 3, 'C', 4, 'O', 1, 'C', 3):\n",
    "                # Manually identified groups where hydroxylation is accompanied with change in aromaticity\n",
    "                s_sub = Chem.MolFromSmiles(sub)\n",
    "                s_prod = Chem.MolFromSmiles(prod)\n",
    "                s_single, s_aromatic, s_double = bond_types(s_sub)\n",
    "                p_single, p_aromatic, p_double = bond_types(s_prod)\n",
    "                if p_aromatic > s_aromatic:\n",
    "                    reaction = ('O', 1, 'aromaticity change') \n",
    "                    manually_altered_reactions.append(i)\n",
    "            elif reaction == ('O', 2):\n",
    "                # The function for chemical reaction identification isnt specific enough, ('O', 2) stands for more than one type of reaction:\n",
    "                s_sub = Chem.MolFromSmiles(sub)\n",
    "                s_prod = Chem.MolFromSmiles(prod)\n",
    "                s_single, s_aromatic, s_double = bond_types(s_sub)\n",
    "                p_single, p_aromatic, p_double = bond_types(s_prod)\n",
    "                ssr_sub = Chem.GetSymmSSSR(s_sub)\n",
    "                ssr_prod = Chem.GetSymmSSSR(s_prod)\n",
    "                ring_atoms_sub = [len(ring) for ring in ssr_sub]\n",
    "                ring_atoms_prod = [len(ring) for ring in ssr_prod]\n",
    "                if (p_double >= s_double) and (s_single <= p_single):\n",
    "                    if set(ring_atoms_sub) != set(ring_atoms_prod):\n",
    "                        # This kind of change in number of double bonds, single bonds and rings means ring expansion\n",
    "                        reaction = ('O', 2, 'ring expansion')\n",
    "                        manually_altered_reactions.append(i)\n",
    "                    else:\n",
    "                        # This kind of change in number of single and double bonds means its oxidation\n",
    "                        reaction = ('O', 2, 'oxidation')\n",
    "                        manually_altered_reactions.append(i)\n",
    "                elif (p_double < s_double) and (s_single < p_single):\n",
    "                    # Decrease in double bonds and increase in single bonds means epoxidation\n",
    "                    reaction = ('O', 2, 'epoxidation')\n",
    "                    manually_altered_reactions.append(i)\n",
    "            print(reaction)\n",
    "            flag, matched_tupple = checking_keys_in_dictionary(reaction,reaction_groups_index) \n",
    "            if flag:\n",
    "                reaction_groups_index[matched_tupple].append(i)\n",
    "            else:\n",
    "                reaction_groups_index[reaction] = [i]\n",
    "        else:\n",
    "            continue\n",
    "    print(reaction_groups_index)\n",
    "    sorted_reactions = {k:v for k,v in sorted(reaction_groups_index.items(), key = lambda x: len(x[1]), reverse=True)}\n",
    "    print(sorted_reactions)\n",
    "    return sorted_reactions, manually_altered_reactions"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Using the following function I can create a pandas dataframe out of the dictionary from the previous one and save it as a csv."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {},
   "outputs": [],
   "source": [
    "def create_csv(input_dictionary, name_of_csv):\n",
    "    \"\"\"\n",
    "    Function that is used to create a csv out of a dictionary.\n",
    "    First input is the dictionary (key:value = reaction:indexes), second input is the desired name.\n",
    "    Creates a dataframe with four columns - reaction, count, indexes and detail.\n",
    "    Outputs the dataframe.\n",
    "    \"\"\"\n",
    "    reactions_df = pd.DataFrame(list(input_dictionary.items()), columns=['Reaction', 'Indexes'])\n",
    "    reactions_df['Detail'] = None\n",
    "    reactions_df['Count'] = None\n",
    "    for key, value in input_dictionary.items():\n",
    "        for i, row in reactions_df.iterrows():\n",
    "            if key == row['Reaction']:\n",
    "                reactions_df.at[i,'Count'] = len(value)\n",
    "    new_order = ['Reaction', 'Count', 'Indexes', 'Detail']\n",
    "    reactions_df = reactions_df[new_order]\n",
    "    reactions_df\n",
    "    reactions_df.to_csv(f\"{name_of_csv}.csv\", index=False, sep=';') \n",
    "    return reactions_df"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "And this function can be used for the visualization"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1\n",
      "double bond\n",
      "7\n",
      "('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1)\n",
      "8\n",
      "('N', 3, 'O', 1, 'O', 1, 'N', 3)\n",
      "9\n",
      "('O', 1)\n",
      "12\n",
      "('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1)\n",
      "13\n",
      "('O', 1)\n",
      "14\n",
      "('O', 1)\n",
      "20\n",
      "('O', 1)\n",
      "25\n",
      "double bond\n",
      "27\n",
      "('O', 1)\n",
      "28\n",
      "('O', 1)\n",
      "29\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:45:59] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:45:59] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:45:59] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:45:59] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:45:59] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:45:59] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "30\n",
      "('O', 1)\n",
      "31\n",
      "('O', 1)\n",
      "32\n",
      "('O', 1)\n",
      "35\n",
      "('O', 1)\n",
      "36\n",
      "('O', 1)\n",
      "37\n",
      "('O', 2, 'oxidation')\n",
      "38\n",
      "('O', 1)\n",
      "39\n",
      "('O', 1)\n",
      "40\n",
      "('O', 2, 'oxidation')\n",
      "41\n",
      "('C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 3, 'C', 3, 'O', 1, 'N', 1, 'N', 4, 'C', 4, 'O', 2, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'C', 2, 'C', 4, 'O', 2, 'C', 4, 'C', 4, 'O', 2, 'P', 5, 'O', 1, 'O', 1, 'O', 2, 'C', 4, 'O', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'N', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 1)\n",
      "42\n",
      "('O', 2, 'epoxidation')\n",
      "45\n",
      "('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "46\n",
      "('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "58\n",
      "('O', 1, 'O', 2)\n",
      "59\n",
      "('O', 1)\n",
      "60\n",
      "('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'O', 1, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1)\n",
      "61\n",
      "('C', 1)\n",
      "62\n",
      "('O', 1)\n",
      "63\n",
      "('O', 1, 'O', 2)\n",
      "65\n",
      "('O', 1)\n",
      "66\n",
      "('O', 1)\n",
      "67\n",
      "('O', 2, 'oxidation')\n",
      "68\n",
      "('O', 2, 'O', 1)\n",
      "69\n",
      "('O', 1, 'O', 2)\n",
      "70\n",
      "('O', 2, 'oxidation')\n",
      "71\n",
      "('O', 1)\n",
      "72\n",
      "('O', 1)\n",
      "73\n",
      "('O', 2, 'O', 1)\n",
      "74\n",
      "('O', 2, 'O', 1)\n",
      "80\n",
      "('O', 2, 'oxidation')\n",
      "81\n",
      "('O', 2, 'oxidation')\n",
      "82\n",
      "('O', 1)\n",
      "83\n",
      "('O', 1)\n",
      "84\n",
      "('O', 1)\n",
      "85\n",
      "('O', 1, 'O', 2)\n",
      "86\n",
      "('O', 1, 'O', 2)\n",
      "87\n",
      "('O', 1, 'O', 2)\n",
      "88\n",
      "('O', 1, 'O', 2)\n",
      "89\n",
      "('O', 1, 'O', 2)\n",
      "90\n",
      "('O', 1, 'O', 2)\n",
      "100\n",
      "('O', 1)\n",
      "101\n",
      "('O', 1)\n",
      "102\n",
      "('O', 1)\n",
      "103\n",
      "('O', 1)\n",
      "104\n",
      "('O', 1)\n",
      "105\n",
      "('O', 1)\n",
      "120\n",
      "('C', 3, 'C', 2, 'C', 2, 'C', 1, 'O', 1)\n",
      "121\n",
      "('O', 1)\n",
      "122\n",
      "('C', 2, 'C', 2, 'O', 2)\n",
      "123\n",
      "('C', 2, 'C', 4, 'C', 1, 'O', 1, 'C', 3, 'C', 2, 'C', 2)\n",
      "124\n",
      "('C', 3, 'C', 2, 'C', 2, 'C', 1, 'O', 1)\n",
      "125\n",
      "('O', 2, 'O', 1)\n",
      "126\n",
      "('O', 1, 'O', 2)\n",
      "127\n",
      "('O', 2, 'oxidation')\n",
      "128\n",
      "('O', 2, 'O', 1)\n",
      "129\n",
      "('O', 1, 'O', 2)\n",
      "130\n",
      "('O', 2, 'oxidation')\n",
      "131\n",
      "('O', 2, 'O', 1)\n",
      "132\n",
      "('O', 1, 'O', 2)\n",
      "133\n",
      "('O', 2, 'oxidation')\n",
      "137\n",
      "double bond\n",
      "138\n",
      "('O', 1)\n",
      "139\n",
      "('O', 1)\n",
      "140\n",
      "('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1, 'O', 1, 'C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 1, 'C', 1, 'O', 2)\n",
      "141\n",
      "('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1, 'O', 1, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2)\n",
      "143\n",
      "('O', 1)\n",
      "144\n",
      "('O', 1)\n",
      "147\n",
      "('O', 1)\n",
      "148\n",
      "('C', 1, 'O', 1)\n",
      "149\n",
      "('O', 1)\n",
      "150\n",
      "('O', 1, 'O', 1, 'C', 1)\n",
      "151\n",
      "('O', 2, 'O', 1)\n",
      "152\n",
      "('O', 1, 'O', 2)\n",
      "160\n",
      "('O', 2, 'O', 2)\n",
      "169\n",
      "('O', 1, 'O', 2)\n",
      "170\n",
      "('O', 1)\n",
      "171\n",
      "('O', 1)\n",
      "176\n",
      "ring\n",
      "177\n",
      "('O', 1)\n",
      "178\n",
      "('O', 1)\n",
      "180\n",
      "('O', 1)\n",
      "181\n",
      "('O', 1, 'O', 2)\n",
      "182\n",
      "('O', 1, 'O', 2)\n",
      "183\n",
      "('O', 1, 'O', 2)\n",
      "184\n",
      "('O', 1, 'O', 2)\n",
      "190\n",
      "('O', 1)\n",
      "194\n",
      "('O', 1, 'O', 2)\n",
      "195\n",
      "('O', 1)\n",
      "196\n",
      "('O', 1)\n",
      "203\n",
      "('O', 1)\n",
      "204\n",
      "('O', 1)\n",
      "205\n",
      "('O', 1)\n",
      "209\n",
      "('O', 2, 'epoxidation')\n",
      "210\n",
      "('O', 2, 'epoxidation')\n",
      "211\n",
      "('O', 1)\n",
      "212\n",
      "('O', 1)\n",
      "215\n",
      "('O', 1, 'O', 2)\n",
      "216\n",
      "('O', 1)\n",
      "217\n",
      "('O', 1)\n",
      "218\n",
      "('O', 1)\n",
      "219\n",
      "('O', 1)\n",
      "220\n",
      "('O', 1)\n",
      "221\n",
      "('O', 1)\n",
      "223\n",
      "('O', 1)\n",
      "224\n",
      "central iron atom reduction\n",
      "225\n",
      "('O', 2, 'O', 1)\n",
      "226\n",
      "('O', 1)\n",
      "227\n",
      "('O', 1)\n",
      "228\n",
      "('O', 1)\n",
      "230\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 2, 'O', 1, 'O', 1)\n",
      "231\n",
      "('O', 2, 'oxidation')\n",
      "237\n",
      "double bond\n",
      "238\n",
      "('O', 2, 'epoxidation')\n",
      "239\n",
      "('O', 1)\n",
      "240\n",
      "('O', 1)\n",
      "243\n",
      "('C', 3, 'N', 2, 'C', 3, 'N', 3)\n",
      "247\n",
      "('O', 1, 'O', 1)\n",
      "248\n",
      "('O', 1, 'O', 1)\n",
      "249\n",
      "('O', 1, 'O', 1)\n",
      "250\n",
      "('O', 1, 'O', 1)\n",
      "251\n",
      "('O', 1)\n",
      "252\n",
      "('O', 1)\n",
      "253\n",
      "('O', 1)\n",
      "254\n",
      "('O', 1)\n",
      "260\n",
      "('O', 1)\n",
      "262\n",
      "('O', 1, 'O', 1)\n",
      "263\n",
      "('O', 1)\n",
      "269\n",
      "('O', 1)\n",
      "277\n",
      "('O', 1)\n",
      "278\n",
      "('O', 1)\n",
      "279\n",
      "('O', 1, 'O', 2)\n",
      "280\n",
      "('O', 1, 'O', 2)\n",
      "284\n",
      "('O', 1, 'O', 2)\n",
      "285\n",
      "('O', 1, 'O', 2)\n",
      "287\n",
      "('O', 1)\n",
      "288\n",
      "('O', 1)\n",
      "291\n",
      "('O', 1)\n",
      "292\n",
      "ring\n",
      "293\n",
      "('O', 1, 'O', 1)\n",
      "295\n",
      "('C', 1)\n",
      "296\n",
      "('C', 1)\n",
      "297\n",
      "('O', 2, 'epoxidation')\n",
      "298\n",
      "('O', 2, 'epoxidation')\n",
      "299\n",
      "('O', 1)\n",
      "300\n",
      "('O', 1)\n",
      "301\n",
      "('O', 1)\n",
      "302\n",
      "('O', 1)\n",
      "303\n",
      "('O', 1)\n",
      "304\n",
      "('O', 1)\n",
      "305\n",
      "('O', 1)\n",
      "306\n",
      "('O', 1)\n",
      "307\n",
      "('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'C', 3, 'C', 4, 'C', 4, 'C', 4, 'O', 1, 'C', 4, 'C', 2, 'C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2, 'O', 2, 'C', 1)\n",
      "308\n",
      "('C', 4, 'C', 4, 'O', 2, 'C', 1, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'C', 3, 'C', 4, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 4, 'C', 4, 'O', 1, 'C', 1)\n",
      "309\n",
      "('C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 4, 'C', 4, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1, 'O', 1)\n",
      "311\n",
      "('O', 1)\n",
      "312\n",
      "('O', 1, 'O', 2)\n",
      "313\n",
      "('O', 1)\n",
      "314\n",
      "('O', 1)\n",
      "315\n",
      "('O', 1)\n",
      "316\n",
      "('O', 1)\n",
      "317\n",
      "('O', 1)\n",
      "318\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:02] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "319\n",
      "('O', 1)\n",
      "321\n",
      "('O', 1, 'O', 1)\n",
      "326\n",
      "('O', 2, 'O', 1)\n",
      "327\n",
      "('O', 2, 'oxidation')\n",
      "330\n",
      "ring\n",
      "333\n",
      "double bond\n",
      "336\n",
      "('O', 1)\n",
      "338\n",
      "('O', 1, 'O', 1)\n",
      "339\n",
      "('O', 2, 'O', 1)\n",
      "342\n",
      "('C', 4, 'O', 1, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2)\n",
      "343\n",
      "ring\n",
      "344\n",
      "ring\n",
      "345\n",
      "ring\n",
      "346\n",
      "ring\n",
      "348\n",
      "('O', 1, 'O', 2)\n",
      "349\n",
      "('O', 1)\n",
      "350\n",
      "('O', 1)\n",
      "351\n",
      "('O', 1, 'O', 2)\n",
      "352\n",
      "('O', 1, 'O', 2)\n",
      "353\n",
      "('O', 1)\n",
      "354\n",
      "('O', 1)\n",
      "358\n",
      "('O', 1)\n",
      "359\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "360\n",
      "('O', 1, 'O', 2)\n",
      "361\n",
      "('O', 1)\n",
      "362\n",
      "('O', 1, 'O', 2)\n",
      "363\n",
      "('O', 2, 'oxidation')\n",
      "364\n",
      "('O', 1)\n",
      "365\n",
      "ring\n",
      "373\n",
      "('O', 1)\n",
      "374\n",
      "('O', 1)\n",
      "375\n",
      "('O', 1)\n",
      "376\n",
      "('O', 1)\n",
      "380\n",
      "('O', 1, 'O', 2)\n",
      "381\n",
      "('O', 1, 'O', 2)\n",
      "382\n",
      "('C', 3, 'O', 2)\n",
      "383\n",
      "('O', 2, 'C', 3)\n",
      "384\n",
      "('C', 3, 'O', 2)\n",
      "385\n",
      "('O', 1, 'O', 2)\n",
      "386\n",
      "('C', 1)\n",
      "387\n",
      "('O', 1)\n",
      "388\n",
      "('C', 1)\n",
      "389\n",
      "('O', 1)\n",
      "390\n",
      "('C', 1)\n",
      "391\n",
      "('O', 1)\n",
      "393\n",
      "('O', 1, 'O', 2)\n",
      "394\n",
      "('O', 1, 'O', 2)\n",
      "395\n",
      "('C', 3, 'O', 2)\n",
      "396\n",
      "('O', 2, 'C', 3)\n",
      "397\n",
      "('C', 3, 'O', 2)\n",
      "398\n",
      "('O', 1, 'O', 2)\n",
      "399\n",
      "('C', 1)\n",
      "400\n",
      "('O', 1)\n",
      "401\n",
      "('C', 1)\n",
      "402\n",
      "('O', 1)\n",
      "403\n",
      "('C', 1)\n",
      "404\n",
      "('O', 1)\n",
      "407\n",
      "('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "408\n",
      "('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "415\n",
      "('O', 1, 'O', 2)\n",
      "416\n",
      "('O', 1, 'O', 2)\n",
      "417\n",
      "('C', 3, 'O', 2)\n",
      "418\n",
      "('O', 2, 'C', 3)\n",
      "419\n",
      "('C', 3, 'O', 2)\n",
      "420\n",
      "('O', 1, 'O', 2)\n",
      "421\n",
      "('C', 1)\n",
      "422\n",
      "('O', 1)\n",
      "423\n",
      "('C', 1)\n",
      "424\n",
      "('O', 1)\n",
      "425\n",
      "('C', 1)\n",
      "426\n",
      "('O', 1)\n",
      "429\n",
      "('O', 1)\n",
      "430\n",
      "('O', 1)\n",
      "431\n",
      "('O', 1)\n",
      "432\n",
      "('O', 1)\n",
      "433\n",
      "('O', 1)\n",
      "434\n",
      "('O', 1)\n",
      "435\n",
      "('O', 1)\n",
      "436\n",
      "('O', 1)\n",
      "437\n",
      "('O', 1)\n",
      "438\n",
      "('O', 1)\n",
      "439\n",
      "('O', 1)\n",
      "440\n",
      "('O', 1)\n",
      "441\n",
      "('O', 1)\n",
      "442\n",
      "('O', 1)\n",
      "443\n",
      "('O', 1)\n",
      "444\n",
      "('O', 1)\n",
      "445\n",
      "('O', 1)\n",
      "446\n",
      "('O', 1)\n",
      "447\n",
      "('O', 1)\n",
      "451\n",
      "('O', 1)\n",
      "452\n",
      "ring\n",
      "453\n",
      "('O', 1, 'O', 1)\n",
      "455\n",
      "('C', 1, 'O', 1, 'C', 4, 'C', 1)\n",
      "456\n",
      "('C', 1, 'O', 1, 'C', 4, 'C', 1)\n",
      "457\n",
      "('C', 1, 'O', 1, 'C', 4, 'C', 1)\n",
      "458\n",
      "('O', 2, 'epoxidation')\n",
      "459\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:10] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:10] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:10] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:10] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:10] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:10] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "467\n",
      "('O', 1)\n",
      "468\n",
      "('O', 1)\n",
      "470\n",
      "('O', 1)\n",
      "476\n",
      "('O', 1)\n",
      "478\n",
      "('O', 1)\n",
      "479\n",
      "('O', 2, 'O', 1)\n",
      "480\n",
      "('O', 2, 'O', 1)\n",
      "481\n",
      "('O', 2, 'O', 1)\n",
      "482\n",
      "('O', 2, 'O', 1)\n",
      "483\n",
      "('O', 2, 'O', 1)\n",
      "486\n",
      "('C', 3, 'C', 4, 'O', 1, 'C', 3, 'O', 2, 'C', 3, 'C', 4, 'C', 1)\n",
      "491\n",
      "('O', 1)\n",
      "492\n",
      "('C', 1, 'C', 1)\n",
      "493\n",
      "('C', 1, 'C', 1)\n",
      "494\n",
      "('O', 1)\n",
      "500\n",
      "('O', 2, 'O', 2)\n",
      "502\n",
      "('O', 2, 'epoxidation')\n",
      "503\n",
      "('O', 2, 'epoxidation')\n",
      "504\n",
      "('O', 2, 'epoxidation')\n",
      "505\n",
      "('O', 2, 'epoxidation')\n",
      "506\n",
      "('O', 2, 'epoxidation')\n",
      "507\n",
      "('O', 2, 'epoxidation')\n",
      "508\n",
      "('O', 2, 'epoxidation')\n",
      "509\n",
      "('O', 2, 'epoxidation')\n",
      "510\n",
      "('O', 2, 'epoxidation')\n",
      "511\n",
      "('O', 2, 'epoxidation')\n",
      "512\n",
      "('O', 2, 'epoxidation')\n",
      "513\n",
      "('O', 1)\n",
      "514\n",
      "('O', 1)\n",
      "515\n",
      "('O', 1)\n",
      "516\n",
      "('O', 1, 'O', 2)\n",
      "517\n",
      "('O', 1, 'O', 2)\n",
      "518\n",
      "('C', 3, 'O', 2)\n",
      "519\n",
      "('O', 2, 'C', 3)\n",
      "520\n",
      "('C', 3, 'O', 2)\n",
      "521\n",
      "('O', 1, 'O', 2)\n",
      "522\n",
      "('C', 1)\n",
      "523\n",
      "('O', 1)\n",
      "524\n",
      "('C', 1)\n",
      "525\n",
      "('O', 1)\n",
      "526\n",
      "('C', 1)\n",
      "527\n",
      "('O', 1)\n",
      "530\n",
      "('O', 1)\n",
      "531\n",
      "('O', 1)\n",
      "532\n",
      "('O', 2, 'epoxidation')\n",
      "533\n",
      "('O', 1)\n",
      "534\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "536\n",
      "()\n",
      "570\n",
      "('O', 1)\n",
      "574\n",
      "('O', 1)\n",
      "575\n",
      "('O', 1)\n",
      "576\n",
      "('O', 1)\n",
      "577\n",
      "('O', 2, 'O', 1)\n",
      "578\n",
      "('O', 1)\n",
      "579\n",
      "ring\n",
      "580\n",
      "ring\n",
      "584\n",
      "('C', 3, 'N', 2, 'C', 3, 'N', 3)\n",
      "585\n",
      "double bond\n",
      "588\n",
      "ring\n",
      "589\n",
      "('O', 1)\n",
      "590\n",
      "('O', 1)\n",
      "592\n",
      "('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'C', 3, 'C', 4, 'C', 4, 'C', 4, 'O', 1, 'C', 4, 'C', 2, 'C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2, 'O', 2, 'C', 1)\n",
      "593\n",
      "('C', 4, 'C', 4, 'O', 2, 'C', 1, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'C', 3, 'C', 4, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 4, 'C', 4, 'O', 1, 'C', 1)\n",
      "602\n",
      "('O', 1)\n",
      "603\n",
      "('O', 1)\n",
      "604\n",
      "('O', 1, 'O', 1)\n",
      "605\n",
      "('O', 2, 'O', 1)\n",
      "607\n",
      "('O', 1, 'O', 2)\n",
      "608\n",
      "('O', 1, 'O', 2)\n",
      "609\n",
      "('O', 1)\n",
      "610\n",
      "('O', 1, 'O', 2)\n",
      "611\n",
      "('O', 1)\n",
      "612\n",
      "('O', 1)\n",
      "613\n",
      "('O', 1)\n",
      "622\n",
      "('O', 1, 'O', 2)\n",
      "623\n",
      "('O', 1, 'O', 2)\n",
      "624\n",
      "('O', 2, 'oxidation')\n",
      "625\n",
      "('O', 1)\n",
      "626\n",
      "('O', 1, 'O', 2)\n",
      "627\n",
      "('O', 2, 'oxidation')\n",
      "628\n",
      "('O', 1)\n",
      "629\n",
      "('O', 2, 'oxidation')\n",
      "630\n",
      "('O', 1)\n",
      "631\n",
      "('O', 2, 'oxidation')\n",
      "632\n",
      "('O', 1)\n",
      "633\n",
      "('O', 1, 'O', 2)\n",
      "634\n",
      "('O', 1, 'O', 2)\n",
      "635\n",
      "('O', 1, 'O', 2)\n",
      "636\n",
      "('O', 1)\n",
      "637\n",
      "('O', 1)\n",
      "638\n",
      "('O', 1)\n",
      "639\n",
      "('O', 1)\n",
      "640\n",
      "('O', 1)\n",
      "641\n",
      "('O', 1)\n",
      "642\n",
      "('O', 1)\n",
      "643\n",
      "('O', 1, 'O', 2)\n",
      "644\n",
      "('O', 1, 'O', 2)\n",
      "645\n",
      "('O', 1, 'O', 2)\n",
      "646\n",
      "('O', 1, 'O', 2)\n",
      "647\n",
      "('C', 3, 'O', 2)\n",
      "648\n",
      "('O', 2, 'C', 3)\n",
      "649\n",
      "('C', 3, 'O', 2)\n",
      "650\n",
      "('O', 1, 'O', 2)\n",
      "651\n",
      "('C', 1)\n",
      "652\n",
      "('O', 1)\n",
      "653\n",
      "('C', 1)\n",
      "654\n",
      "('O', 1)\n",
      "655\n",
      "('C', 1)\n",
      "656\n",
      "('O', 1)\n",
      "657\n",
      "double bond\n",
      "658\n",
      "('O', 1, 'O', 2)\n",
      "659\n",
      "('O', 1, 'O', 2)\n",
      "660\n",
      "('C', 3, 'O', 2)\n",
      "661\n",
      "('O', 2, 'C', 3)\n",
      "662\n",
      "('C', 3, 'O', 2)\n",
      "663\n",
      "('O', 1, 'O', 2)\n",
      "664\n",
      "('C', 1)\n",
      "665\n",
      "('O', 1)\n",
      "666\n",
      "('C', 1)\n",
      "667\n",
      "('O', 1)\n",
      "668\n",
      "('C', 1)\n",
      "669\n",
      "('O', 1)\n",
      "675\n",
      "('C', 3, 'O', 1, 'C', 3, 'O', 2)\n",
      "676\n",
      "('C', 4, 'N', 3, 'O', 1, 'N', 2)\n",
      "677\n",
      "('O', 1)\n",
      "678\n",
      "('O', 1)\n",
      "679\n",
      "('O', 1)\n",
      "680\n",
      "('O', 1)\n",
      "681\n",
      "('O', 1)\n",
      "682\n",
      "('O', 1)\n",
      "684\n",
      "('O', 1)\n",
      "685\n",
      "('O', 1)\n",
      "686\n",
      "ring\n",
      "688\n",
      "('O', 1)\n",
      "689\n",
      "('O', 2, 'O', 1)\n",
      "690\n",
      "('O', 1)\n",
      "691\n",
      "('O', 1)\n",
      "692\n",
      "('O', 1)\n",
      "700\n",
      "('O', 1)\n",
      "701\n",
      "('O', 2, 'O', 1)\n",
      "703\n",
      "('O', 1)\n",
      "704\n",
      "('O', 1, 'O', 2)\n",
      "705\n",
      "('O', 2, 'oxidation')\n",
      "706\n",
      "('O', 1)\n",
      "717\n",
      "ring\n",
      "718\n",
      "ring\n",
      "721\n",
      "('O', 1)\n",
      "722\n",
      "('O', 2)\n",
      "724\n",
      "('O', 1)\n",
      "725\n",
      "('O', 1)\n",
      "726\n",
      "('O', 1)\n",
      "727\n",
      "('O', 1)\n",
      "728\n",
      "('O', 1)\n",
      "729\n",
      "('O', 1)\n",
      "730\n",
      "('O', 1)\n",
      "731\n",
      "('O', 1)\n",
      "737\n",
      "('O', 2, 'O', 2)\n",
      "738\n",
      "double bond\n",
      "741\n",
      "('O', 1)\n",
      "742\n",
      "('O', 1)\n",
      "745\n",
      "('O', 1)\n",
      "746\n",
      "('O', 1)\n",
      "747\n",
      "('O', 1)\n",
      "749\n",
      "('O', 1, 'O', 1)\n",
      "750\n",
      "('O', 1, 'O', 1)\n",
      "751\n",
      "('O', 1)\n",
      "752\n",
      "central iron atom reduction\n",
      "753\n",
      "('O', 1)\n",
      "754\n",
      "central iron atom reduction\n",
      "756\n",
      "('O', 1)\n",
      "758\n",
      "('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "759\n",
      "('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "760\n",
      "double bond\n",
      "761\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:25] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "762\n",
      "('O', 1, 'O', 2)\n",
      "763\n",
      "('C', 3, 'O', 2)\n",
      "764\n",
      "('O', 2, 'C', 3)\n",
      "765\n",
      "('C', 3, 'O', 2)\n",
      "766\n",
      "('O', 1, 'O', 2)\n",
      "767\n",
      "('C', 1)\n",
      "768\n",
      "('O', 1)\n",
      "769\n",
      "('C', 1)\n",
      "770\n",
      "('O', 1)\n",
      "771\n",
      "('C', 1)\n",
      "772\n",
      "('O', 1)\n",
      "773\n",
      "('O', 1)\n",
      "774\n",
      "('O', 1)\n",
      "775\n",
      "('O', 1)\n",
      "776\n",
      "('O', 1)\n",
      "781\n",
      "('O', 1)\n",
      "782\n",
      "('O', 1)\n",
      "783\n",
      "('O', 1)\n",
      "784\n",
      "('O', 1)\n",
      "785\n",
      "('O', 1)\n",
      "786\n",
      "('O', 1)\n",
      "787\n",
      "('O', 1)\n",
      "788\n",
      "('O', 1)\n",
      "789\n",
      "('O', 1)\n",
      "790\n",
      "('O', 1)\n",
      "793\n",
      "('O', 1, 'O', 2)\n",
      "794\n",
      "('O', 1)\n",
      "797\n",
      "('O', 1)\n",
      "798\n",
      "('O', 1)\n",
      "799\n",
      "('O', 1)\n",
      "800\n",
      "('O', 1)\n",
      "801\n",
      "('O', 1)\n",
      "802\n",
      "('O', 1)\n",
      "805\n",
      "('O', 2, 'O', 2, 'O', 1, 'O', 1, 'O', 1, 'O', 1)\n",
      "806\n",
      "('O', 1)\n",
      "807\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "809\n",
      "()\n",
      "810\n",
      "('O', 1)\n",
      "811\n",
      "('O', 1)\n",
      "812\n",
      "('O', 1)\n",
      "813\n",
      "('O', 1)\n",
      "814\n",
      "('O', 1)\n",
      "815\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "817\n",
      "('O', 2, 'epoxidation')\n",
      "818\n",
      "('O', 1)\n",
      "819\n",
      "('O', 1)\n",
      "820\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "821\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "822\n",
      "('O', 1)\n",
      "823\n",
      "('O', 1)\n",
      "824\n",
      "('O', 1)\n",
      "825\n",
      "('O', 1)\n",
      "826\n",
      "('O', 1)\n",
      "827\n",
      "('O', 1)\n",
      "828\n",
      "('O', 1)\n",
      "833\n",
      "('C', 1)\n",
      "834\n",
      "('O', 1)\n",
      "835\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "836\n",
      "('O', 1, 'O', 2)\n",
      "837\n",
      "('C', 3, 'O', 2)\n",
      "838\n",
      "('O', 2, 'C', 3)\n",
      "839\n",
      "('C', 3, 'O', 2)\n",
      "840\n",
      "('O', 1, 'O', 2)\n",
      "841\n",
      "('C', 1)\n",
      "842\n",
      "('O', 1)\n",
      "843\n",
      "('C', 1)\n",
      "844\n",
      "('O', 1)\n",
      "845\n",
      "('O', 1)\n",
      "846\n",
      "('O', 1)\n",
      "847\n",
      "('O', 1)\n",
      "848\n",
      "('O', 2, 'oxidation')\n",
      "849\n",
      "('O', 1)\n",
      "850\n",
      "('O', 2, 'oxidation')\n",
      "851\n",
      "('O', 2, 'epoxidation')\n",
      "852\n",
      "('C', 3, 'O', 2)\n",
      "853\n",
      "('O', 1)\n",
      "854\n",
      "('O', 1, 'O', 2)\n",
      "855\n",
      "('O', 1, 'O', 2)\n",
      "856\n",
      "('C', 3, 'O', 2, 'O', 2, 'O', 1)\n",
      "857\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "858\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "859\n",
      "('O', 1)\n",
      "860\n",
      "('O', 1)\n",
      "861\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "862\n",
      "('O', 1)\n",
      "863\n",
      "('O', 1)\n",
      "864\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "865\n",
      "('O', 1)\n",
      "866\n",
      "('O', 1)\n",
      "867\n",
      "('O', 1)\n",
      "868\n",
      "('O', 1)\n",
      "869\n",
      "('O', 1)\n",
      "870\n",
      "('O', 1)\n",
      "879\n",
      "('N', 3, 'O', 1, 'O', 1, 'N', 3)\n",
      "881\n",
      "('N', 3, 'O', 1, 'N', 3)\n",
      "882\n",
      "('O', 1)\n",
      "883\n",
      "('O', 1)\n",
      "887\n",
      "('O', 1)\n",
      "888\n",
      "('O', 1)\n",
      "889\n",
      "('O', 1)\n",
      "890\n",
      "('O', 1)\n",
      "891\n",
      "('O', 1)\n",
      "892\n",
      "('O', 1)\n",
      "893\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "894\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:32] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "895\n",
      "('O', 1)\n",
      "896\n",
      "('O', 1)\n",
      "897\n",
      "('O', 1)\n",
      "902\n",
      "double bond\n",
      "903\n",
      "double bond\n",
      "905\n",
      "('O', 1)\n",
      "906\n",
      "('O', 1)\n",
      "907\n",
      "('O', 1)\n",
      "908\n",
      "('O', 1)\n",
      "909\n",
      "('O', 1)\n",
      "910\n",
      "('O', 1)\n",
      "911\n",
      "('O', 1)\n",
      "912\n",
      "('O', 1)\n",
      "913\n",
      "('O', 1)\n",
      "914\n",
      "('O', 1)\n",
      "915\n",
      "('O', 1)\n",
      "918\n",
      "('C', 4, 'N', 3, 'O', 1, 'C', 2, 'C', 4, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3)\n",
      "919\n",
      "('C', 4, 'N', 3, 'O', 1, 'C', 2, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3)\n",
      "926\n",
      "('O', 1)\n",
      "927\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 1, 'O', 2, 'O', 1)\n",
      "928\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "929\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "930\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "931\n",
      "('O', 1)\n",
      "932\n",
      "('O', 1)\n",
      "933\n",
      "('O', 1)\n",
      "934\n",
      "('O', 1)\n",
      "935\n",
      "('O', 1)\n",
      "936\n",
      "('O', 1)\n",
      "937\n",
      "('O', 1)\n",
      "938\n",
      "('O', 1)\n",
      "939\n",
      "('O', 1)\n",
      "940\n",
      "('O', 1)\n",
      "941\n",
      "('O', 1)\n",
      "942\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "943\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "944\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "945\n",
      "('O', 2, 'epoxidation')\n",
      "946\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "947\n",
      "('O', 2, 'epoxidation')\n",
      "948\n",
      "('O', 2, 'epoxidation')\n",
      "949\n",
      "('O', 2, 'epoxidation')\n",
      "950\n",
      "('O', 1)\n",
      "951\n",
      "('O', 1)\n",
      "952\n",
      "('O', 1)\n",
      "953\n",
      "('O', 1)\n",
      "954\n",
      "('O', 1)\n",
      "955\n",
      "('O', 1)\n",
      "956\n",
      "('O', 1, 'O', 2)\n",
      "957\n",
      "('O', 1)\n",
      "958\n",
      "('O', 1)\n",
      "959\n",
      "('O', 1)\n",
      "960\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "961\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "962\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "963\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "964\n",
      "('O', 2, 'epoxidation')\n",
      "965\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "966\n",
      "('O', 2, 'epoxidation')\n",
      "967\n",
      "('O', 2, 'epoxidation')\n",
      "968\n",
      "('O', 2, 'epoxidation')\n",
      "969\n",
      "('O', 1)\n",
      "970\n",
      "('O', 1)\n",
      "971\n",
      "('O', 1)\n",
      "972\n",
      "('O', 1)\n",
      "973\n",
      "('O', 1)\n",
      "974\n",
      "('O', 1)\n",
      "975\n",
      "('O', 1, 'O', 2)\n",
      "976\n",
      "('O', 1)\n",
      "977\n",
      "('O', 1)\n",
      "978\n",
      "('O', 1)\n",
      "979\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "980\n",
      "('O', 1)\n",
      "981\n",
      "('O', 1)\n",
      "984\n",
      "('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1)\n",
      "985\n",
      "('O', 1)\n",
      "991\n",
      "('O', 1)\n",
      "992\n",
      "('O', 1)\n",
      "993\n",
      "('O', 1, 'O', 1)\n",
      "994\n",
      "('O', 1)\n",
      "995\n",
      "('O', 1)\n",
      "996\n",
      "('O', 1, 'O', 1)\n",
      "997\n",
      "('O', 1)\n",
      "998\n",
      "('O', 1)\n",
      "999\n",
      "('O', 1)\n",
      "1000\n",
      "('O', 1)\n",
      "1001\n",
      "('O', 1)\n",
      "1002\n",
      "('O', 1)\n",
      "1003\n",
      "('O', 1)\n",
      "1004\n",
      "('O', 1)\n",
      "1005\n",
      "('O', 1)\n",
      "1006\n",
      "('O', 1)\n",
      "1007\n",
      "('O', 1)\n",
      "1008\n",
      "('O', 1)\n",
      "1009\n",
      "('O', 1)\n",
      "1010\n",
      "('O', 1)\n",
      "1011\n",
      "('O', 1)\n",
      "1012\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:37] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1013\n",
      "('O', 1, 'O', 2)\n",
      "1014\n",
      "('O', 1)\n",
      "1015\n",
      "('O', 1)\n",
      "1016\n",
      "('O', 1)\n",
      "1017\n",
      "('O', 1)\n",
      "1018\n",
      "('O', 1)\n",
      "1019\n",
      "('O', 1)\n",
      "1020\n",
      "('O', 1)\n",
      "1021\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1022\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1023\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1024\n",
      "('O', 2, 'epoxidation')\n",
      "1025\n",
      "('O', 2, 'epoxidation')\n",
      "1026\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1027\n",
      "('O', 2, 'epoxidation')\n",
      "1028\n",
      "('O', 1)\n",
      "1029\n",
      "('O', 2, 'epoxidation')\n",
      "1030\n",
      "('O', 2, 'epoxidation')\n",
      "1031\n",
      "('O', 2, 'epoxidation')\n",
      "1032\n",
      "('O', 2, 'epoxidation')\n",
      "1033\n",
      "('O', 1)\n",
      "1034\n",
      "('O', 1)\n",
      "1035\n",
      "('O', 1)\n",
      "1036\n",
      "('O', 1)\n",
      "1037\n",
      "('O', 1)\n",
      "1038\n",
      "('O', 1)\n",
      "1039\n",
      "('O', 1)\n",
      "1040\n",
      "('O', 1)\n",
      "1041\n",
      "('O', 1)\n",
      "1042\n",
      "('O', 1)\n",
      "1043\n",
      "('O', 1)\n",
      "1044\n",
      "('O', 1, 'O', 2)\n",
      "1045\n",
      "('O', 1)\n",
      "1046\n",
      "('O', 1)\n",
      "1047\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1048\n",
      "('O', 1)\n",
      "1049\n",
      "('O', 1)\n",
      "1050\n",
      "('O', 1)\n",
      "1051\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1052\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1053\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1054\n",
      "('O', 2, 'epoxidation')\n",
      "1055\n",
      "('O', 2, 'epoxidation')\n",
      "1056\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1057\n",
      "('O', 2, 'epoxidation')\n",
      "1058\n",
      "('O', 1)\n",
      "1059\n",
      "('O', 2, 'epoxidation')\n",
      "1060\n",
      "('O', 2, 'epoxidation')\n",
      "1061\n",
      "('O', 2, 'epoxidation')\n",
      "1062\n",
      "('O', 2, 'epoxidation')\n",
      "1063\n",
      "('O', 1)\n",
      "1064\n",
      "('O', 1)\n",
      "1065\n",
      "('O', 1)\n",
      "1066\n",
      "('O', 1)\n",
      "1067\n",
      "('O', 1)\n",
      "1068\n",
      "('O', 1)\n",
      "1069\n",
      "('O', 1)\n",
      "1070\n",
      "('O', 1)\n",
      "1071\n",
      "('O', 1)\n",
      "1072\n",
      "('O', 1)\n",
      "1073\n",
      "('O', 1)\n",
      "1074\n",
      "('O', 1, 'O', 2)\n",
      "1075\n",
      "('O', 1)\n",
      "1076\n",
      "('O', 1)\n",
      "1077\n",
      "('O', 1)\n",
      "1078\n",
      "('O', 1)\n",
      "1079\n",
      "('O', 1)\n",
      "1080\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:38] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1081\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1082\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1083\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1084\n",
      "('O', 2, 'epoxidation')\n",
      "1085\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1086\n",
      "('O', 2, 'epoxidation')\n",
      "1087\n",
      "('O', 2, 'epoxidation')\n",
      "1088\n",
      "('O', 2, 'epoxidation')\n",
      "1089\n",
      "('O', 1)\n",
      "1090\n",
      "('O', 1)\n",
      "1091\n",
      "('O', 1)\n",
      "1092\n",
      "('O', 1)\n",
      "1093\n",
      "('O', 1)\n",
      "1094\n",
      "('O', 1)\n",
      "1095\n",
      "('O', 1, 'O', 2)\n",
      "1096\n",
      "('O', 1)\n",
      "1097\n",
      "('O', 1)\n",
      "1098\n",
      "('O', 1)\n",
      "1099\n",
      "('O', 1)\n",
      "1100\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1101\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1102\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1103\n",
      "('O', 2, 'epoxidation')\n",
      "1104\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1105\n",
      "('O', 2, 'epoxidation')\n",
      "1106\n",
      "('O', 2, 'epoxidation')\n",
      "1107\n",
      "('O', 2, 'epoxidation')\n",
      "1108\n",
      "('O', 1)\n",
      "1109\n",
      "('O', 1)\n",
      "1110\n",
      "('O', 1)\n",
      "1111\n",
      "('O', 1)\n",
      "1112\n",
      "('O', 1)\n",
      "1113\n",
      "('O', 1)\n",
      "1114\n",
      "('O', 1, 'O', 2)\n",
      "1115\n",
      "('O', 1)\n",
      "1116\n",
      "('O', 1)\n",
      "1117\n",
      "('O', 1)\n",
      "1118\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1119\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "1120\n",
      "('O', 1)\n",
      "1121\n",
      "('O', 1)\n",
      "1122\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "1123\n",
      "('O', 1)\n",
      "1124\n",
      "('O', 1)\n",
      "1125\n",
      "('O', 1)\n",
      "1126\n",
      "('O', 1)\n",
      "1127\n",
      "('O', 1)\n",
      "1128\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1129\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1130\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1131\n",
      "('O', 2, 'epoxidation')\n",
      "1132\n",
      "('O', 2, 'epoxidation')\n",
      "1133\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1134\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 2, 'epoxidation')\n",
      "1135\n",
      "('O', 1)\n",
      "1136\n",
      "('O', 2, 'epoxidation')\n",
      "1137\n",
      "('O', 2, 'epoxidation')\n",
      "1138\n",
      "('O', 2, 'epoxidation')\n",
      "1139\n",
      "('O', 2, 'epoxidation')\n",
      "1140\n",
      "('O', 1)\n",
      "1141\n",
      "('O', 1)\n",
      "1142\n",
      "('O', 1)\n",
      "1143\n",
      "('O', 1)\n",
      "1144\n",
      "('O', 1)\n",
      "1145\n",
      "('O', 1)\n",
      "1146\n",
      "('O', 1)\n",
      "1147\n",
      "('O', 1)\n",
      "1148\n",
      "('O', 1)\n",
      "1149\n",
      "('O', 1)\n",
      "1150\n",
      "('O', 1)\n",
      "1151\n",
      "('O', 1, 'O', 2)\n",
      "1152\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:39] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1153\n",
      "('O', 1)\n",
      "1154\n",
      "('O', 1)\n",
      "1155\n",
      "('O', 1)\n",
      "1156\n",
      "('O', 1)\n",
      "1157\n",
      "('O', 1)\n",
      "1158\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1159\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1160\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1161\n",
      "('O', 2, 'epoxidation')\n",
      "1162\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1163\n",
      "('O', 2, 'epoxidation')\n",
      "1164\n",
      "('O', 2, 'epoxidation')\n",
      "1165\n",
      "('O', 2, 'epoxidation')\n",
      "1166\n",
      "('O', 1)\n",
      "1167\n",
      "('O', 1)\n",
      "1168\n",
      "('O', 1)\n",
      "1169\n",
      "('O', 1)\n",
      "1170\n",
      "('O', 1)\n",
      "1171\n",
      "('O', 1)\n",
      "1172\n",
      "('O', 1, 'O', 2)\n",
      "1173\n",
      "('O', 1)\n",
      "1174\n",
      "('O', 1)\n",
      "1175\n",
      "('O', 1)\n",
      "1176\n",
      "('O', 1)\n",
      "1177\n",
      "('O', 1)\n",
      "1178\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "1179\n",
      "('O', 1)\n",
      "1180\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "1181\n",
      "('O', 1)\n",
      "1182\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "1183\n",
      "('O', 1)\n",
      "1184\n",
      "('O', 1)\n",
      "1185\n",
      "('O', 1)\n",
      "1186\n",
      "('O', 1)\n",
      "1187\n",
      "('O', 1)\n",
      "1188\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "1189\n",
      "('O', 1)\n",
      "1190\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:40] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1191\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "1192\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1193\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1194\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1195\n",
      "('O', 2, 'epoxidation')\n",
      "1196\n",
      "('O', 2, 'epoxidation')\n",
      "1197\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1198\n",
      "('O', 2, 'epoxidation')\n",
      "1199\n",
      "('O', 1)\n",
      "1200\n",
      "('O', 2, 'epoxidation')\n",
      "1201\n",
      "('O', 2, 'epoxidation')\n",
      "1202\n",
      "('O', 2, 'epoxidation')\n",
      "1203\n",
      "('O', 2, 'epoxidation')\n",
      "1204\n",
      "('O', 1)\n",
      "1205\n",
      "('O', 1)\n",
      "1206\n",
      "('O', 1)\n",
      "1207\n",
      "('O', 1)\n",
      "1208\n",
      "('O', 1)\n",
      "1209\n",
      "('O', 1)\n",
      "1210\n",
      "('O', 1)\n",
      "1211\n",
      "('O', 1)\n",
      "1212\n",
      "('O', 1)\n",
      "1213\n",
      "('O', 1)\n",
      "1214\n",
      "('O', 1)\n",
      "1215\n",
      "('O', 1, 'O', 2)\n",
      "1216\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1217\n",
      "('O', 1)\n",
      "1218\n",
      "('O', 1)\n",
      "1219\n",
      "('O', 1)\n",
      "1220\n",
      "('O', 1)\n",
      "1221\n",
      "('O', 1)\n",
      "1222\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1223\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1224\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1225\n",
      "('O', 2, 'epoxidation')\n",
      "1226\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1227\n",
      "('O', 2, 'epoxidation')\n",
      "1228\n",
      "('O', 2, 'epoxidation')\n",
      "1229\n",
      "('O', 2, 'epoxidation')\n",
      "1230\n",
      "('O', 1)\n",
      "1231\n",
      "('O', 1)\n",
      "1232\n",
      "('O', 1)\n",
      "1233\n",
      "('O', 1)\n",
      "1234\n",
      "('O', 1)\n",
      "1235\n",
      "('O', 1)\n",
      "1236\n",
      "('O', 1, 'O', 2)\n",
      "1237\n",
      "('O', 1)\n",
      "1238\n",
      "('O', 1)\n",
      "1239\n",
      "('O', 1)\n",
      "1240\n",
      "('O', 1)\n",
      "1241\n",
      "('O', 1)\n",
      "1242\n",
      "('O', 1)\n",
      "1243\n",
      "('O', 1)\n",
      "1244\n",
      "('O', 1)\n",
      "1245\n",
      "('O', 1)\n",
      "1246\n",
      "('O', 1)\n",
      "1247\n",
      "('O', 1)\n",
      "1248\n",
      "('O', 1)\n",
      "1249\n",
      "('O', 1)\n",
      "1250\n",
      "('O', 1)\n",
      "1251\n",
      "('O', 1)\n",
      "1252\n",
      "('O', 1)\n",
      "1253\n",
      "('O', 1)\n",
      "1254\n",
      "('O', 1)\n",
      "1255\n",
      "('O', 1)\n",
      "1256\n",
      "('O', 1)\n",
      "1257\n",
      "('O', 1)\n",
      "1258\n",
      "('O', 1)\n",
      "1259\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "1260\n",
      "('O', 1)\n",
      "1261\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "1262\n",
      "('O', 1)\n",
      "1263\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "1264\n",
      "('O', 1)\n",
      "1265\n",
      "('O', 1)\n",
      "1266\n",
      "('O', 1)\n",
      "1267\n",
      "('O', 1)\n",
      "1268\n",
      "('O', 1)\n",
      "1269\n",
      "('O', 1)\n",
      "1270\n",
      "('O', 1)\n",
      "1271\n",
      "('O', 1)\n",
      "1272\n",
      "('O', 1)\n",
      "1273\n",
      "('O', 1)\n",
      "1274\n",
      "('O', 1)\n",
      "1275\n",
      "('O', 1)\n",
      "1276\n",
      "('O', 1)\n",
      "1277\n",
      "('O', 1)\n",
      "1278\n",
      "('O', 1)\n",
      "1279\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1280\n",
      "('O', 1)\n",
      "1281\n",
      "('O', 1)\n",
      "1282\n",
      "('O', 1)\n",
      "1283\n",
      "('O', 1)\n",
      "1284\n",
      "('O', 1)\n",
      "1285\n",
      "('O', 1)\n",
      "1286\n",
      "('O', 2, 'epoxidation')\n",
      "1287\n",
      "('O', 2, 'epoxidation')\n",
      "1288\n",
      "('O', 2, 'epoxidation')\n",
      "1289\n",
      "('O', 2, 'epoxidation')\n",
      "1290\n",
      "('O', 2, 'epoxidation')\n",
      "1291\n",
      "('O', 2, 'epoxidation')\n",
      "1292\n",
      "('O', 2, 'epoxidation')\n",
      "1293\n",
      "('O', 2, 'epoxidation')\n",
      "1294\n",
      "('O', 2, 'epoxidation')\n",
      "1295\n",
      "('O', 2, 'epoxidation')\n",
      "1296\n",
      "('O', 2, 'epoxidation')\n",
      "1297\n",
      "('O', 1)\n",
      "1298\n",
      "('O', 1)\n",
      "1299\n",
      "('O', 1)\n",
      "1300\n",
      "('O', 2, 'epoxidation')\n",
      "1301\n",
      "('O', 2, 'epoxidation')\n",
      "1302\n",
      "('O', 2, 'epoxidation')\n",
      "1303\n",
      "('O', 2, 'epoxidation')\n",
      "1304\n",
      "('O', 2, 'epoxidation')\n",
      "1305\n",
      "('O', 1)\n",
      "1306\n",
      "('O', 1)\n",
      "1307\n",
      "('O', 1)\n",
      "1308\n",
      "('O', 1)\n",
      "1309\n",
      "('O', 1)\n",
      "1310\n",
      "('O', 1)\n",
      "1311\n",
      "('O', 1)\n",
      "1312\n",
      "('O', 1)\n",
      "1313\n",
      "('O', 1)\n",
      "1314\n",
      "('O', 1)\n",
      "1315\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1316\n",
      "('O', 1)\n",
      "1317\n",
      "('O', 2, 'oxidation')\n",
      "1318\n",
      "('O', 1)\n",
      "1319\n",
      "('O', 1, 'O', 2)\n",
      "1320\n",
      "('O', 1)\n",
      "1321\n",
      "('O', 1)\n",
      "1322\n",
      "('O', 1)\n",
      "1323\n",
      "('O', 1)\n",
      "1324\n",
      "('O', 1)\n",
      "1325\n",
      "('O', 1)\n",
      "1326\n",
      "('O', 1)\n",
      "1327\n",
      "('O', 2, 'oxidation')\n",
      "1328\n",
      "('O', 1)\n",
      "1329\n",
      "('O', 1)\n",
      "1330\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:42] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1331\n",
      "('O', 1)\n",
      "1332\n",
      "('O', 1)\n",
      "1333\n",
      "('O', 2, 'epoxidation')\n",
      "1334\n",
      "('O', 2, 'epoxidation')\n",
      "1335\n",
      "('O', 2, 'epoxidation')\n",
      "1336\n",
      "('O', 1)\n",
      "1337\n",
      "('O', 1)\n",
      "1338\n",
      "('O', 1)\n",
      "1339\n",
      "('O', 1)\n",
      "1340\n",
      "('O', 1)\n",
      "1341\n",
      "('O', 1)\n",
      "1342\n",
      "('O', 1)\n",
      "1343\n",
      "('O', 1)\n",
      "1344\n",
      "('O', 1)\n",
      "1345\n",
      "('C', 1)\n",
      "1348\n",
      "('O', 1, 'O', 2)\n",
      "1349\n",
      "('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "1350\n",
      "('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "1352\n",
      "('C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'O', 1, 'O', 2, 'O', 1, 'O', 1, 'O', 2, 'C', 1)\n",
      "1354\n",
      "double bond\n",
      "1355\n",
      "double bond\n",
      "1356\n",
      "('C', 3, 'O', 1, 'C', 3, 'O', 2)\n",
      "1357\n",
      "ring\n",
      "1358\n",
      "ring\n",
      "1359\n",
      "('C', 3, 'O', 1, 'C', 3, 'O', 2)\n",
      "1360\n",
      "ring\n",
      "1361\n",
      "ring\n",
      "1362\n",
      "('O', 1)\n",
      "1363\n",
      "('C', 3, 'N', 2, 'C', 3, 'N', 3)\n",
      "1364\n",
      "('O', 1)\n",
      "1365\n",
      "('O', 1)\n",
      "1366\n",
      "('C', 3, 'C', 2, 'C', 4, 'C', 1, 'C', 4, 'C', 1, 'C', 3, 'C', 4, 'O', 1)\n",
      "1367\n",
      "('O', 1, 'aromaticity change')\n",
      "1370\n",
      "('O', 1)\n",
      "1371\n",
      "('O', 1)\n",
      "1372\n",
      "('O', 1, 'aromaticity change')\n",
      "1373\n",
      "('O', 1)\n",
      "1374\n",
      "('O', 1)\n",
      "1375\n",
      "('O', 1, 'aromaticity change')\n",
      "1376\n",
      "('O', 1)\n",
      "1377\n",
      "('O', 1)\n",
      "1378\n",
      "('O', 1, 'aromaticity change')\n",
      "1379\n",
      "('O', 1)\n",
      "1380\n",
      "('O', 1)\n",
      "1381\n",
      "('O', 1, 'aromaticity change')\n",
      "1382\n",
      "('O', 1, 'aromaticity change')\n",
      "1383\n",
      "('O', 1)\n",
      "1384\n",
      "('O', 1)\n",
      "1385\n",
      "('O', 1, 'aromaticity change')\n",
      "1386\n",
      "('O', 1, 'aromaticity change')\n",
      "1387\n",
      "double bond\n",
      "1389\n",
      "('O', 1)\n",
      "1390\n",
      "('C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4, 'C', 1, 'C', 1, 'C', 4)\n",
      "1391\n",
      "('C', 1)\n",
      "1392\n",
      "('C', 1, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4)\n",
      "1393\n",
      "('C', 1, 'C', 2)\n",
      "1394\n",
      "('C', 1, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 1, 'C', 4)\n",
      "1395\n",
      "('O', 1, 'O', 2)\n",
      "1397\n",
      "('O', 1)\n",
      "1398\n",
      "('O', 1)\n",
      "1399\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "1400\n",
      "('O', 1)\n",
      "1401\n",
      "('O', 1)\n",
      "1402\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "1403\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:43] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "1404\n",
      "('O', 1, 'O', 2)\n",
      "1405\n",
      "('C', 3, 'O', 2)\n",
      "1406\n",
      "('O', 2, 'C', 3)\n",
      "1407\n",
      "('C', 3, 'O', 2)\n",
      "1408\n",
      "('O', 1, 'O', 2)\n",
      "1409\n",
      "('O', 1)\n",
      "1410\n",
      "('C', 1)\n",
      "1411\n",
      "('O', 1)\n",
      "1412\n",
      "('C', 1)\n",
      "1413\n",
      "('C', 1)\n",
      "1414\n",
      "('O', 1)\n",
      "1415\n",
      "('O', 1, 'O', 2)\n",
      "1416\n",
      "('O', 2, 'C', 3)\n",
      "1417\n",
      "('C', 3, 'O', 2)\n",
      "1418\n",
      "('O', 1, 'O', 2)\n",
      "1419\n",
      "('C', 1)\n",
      "1420\n",
      "('O', 1)\n",
      "1421\n",
      "('C', 1)\n",
      "1422\n",
      "('O', 1)\n",
      "1424\n",
      "('O', 2, 'epoxidation')\n",
      "1425\n",
      "('O', 2, 'epoxidation')\n",
      "1426\n",
      "('O', 2, 'epoxidation')\n",
      "1427\n",
      "('O', 2, 'epoxidation')\n",
      "1428\n",
      "('O', 2, 'epoxidation')\n",
      "1429\n",
      "('O', 2, 'epoxidation')\n",
      "1430\n",
      "('O', 2, 'epoxidation')\n",
      "1431\n",
      "('O', 2, 'epoxidation')\n",
      "1432\n",
      "('O', 2, 'epoxidation')\n",
      "1433\n",
      "('O', 2, 'epoxidation')\n",
      "1434\n",
      "('O', 1)\n",
      "1435\n",
      "('O', 1)\n",
      "1436\n",
      "('O', 1)\n",
      "1437\n",
      "('O', 1)\n",
      "1438\n",
      "('O', 1)\n",
      "1439\n",
      "('O', 1)\n",
      "1440\n",
      "('O', 2, 'epoxidation')\n",
      "1441\n",
      "('O', 2, 'epoxidation')\n",
      "1442\n",
      "('O', 2, 'epoxidation')\n",
      "1443\n",
      "('O', 2, 'epoxidation')\n",
      "1444\n",
      "('O', 2, 'epoxidation')\n",
      "1445\n",
      "('O', 2, 'epoxidation')\n",
      "1446\n",
      "('O', 1, 'O', 2)\n",
      "1447\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:45] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1448\n",
      "('O', 2, 'epoxidation')\n",
      "1449\n",
      "('O', 2, 'epoxidation')\n",
      "1450\n",
      "('O', 1)\n",
      "1451\n",
      "('O', 2, 'epoxidation')\n",
      "1452\n",
      "('O', 1)\n",
      "1453\n",
      "('O', 1)\n",
      "1454\n",
      "('O', 1)\n",
      "1455\n",
      "('O', 1)\n",
      "1456\n",
      "('C', 3, 'O', 2)\n",
      "1457\n",
      "('O', 1)\n",
      "1458\n",
      "('O', 1, 'O', 2)\n",
      "1459\n",
      "('O', 1, 'O', 2)\n",
      "1460\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 3, 'O', 2, 'O', 2, 'O', 1)\n",
      "1461\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1462\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1463\n",
      "('O', 1)\n",
      "1464\n",
      "('O', 1)\n",
      "1465\n",
      "('O', 1)\n",
      "1466\n",
      "('O', 1)\n",
      "1467\n",
      "('O', 1)\n",
      "1468\n",
      "('O', 1)\n",
      "1469\n",
      "('O', 1)\n",
      "1470\n",
      "('O', 2, 'epoxidation')\n",
      "1471\n",
      "('O', 2, 'epoxidation')\n",
      "1472\n",
      "('O', 2, 'epoxidation')\n",
      "1473\n",
      "('O', 2, 'epoxidation')\n",
      "1474\n",
      "('O', 2, 'epoxidation')\n",
      "1475\n",
      "('O', 1)\n",
      "1476\n",
      "('O', 2, 'epoxidation')\n",
      "1477\n",
      "('C', 3, 'O', 1, 'C', 3)\n",
      "1478\n",
      "('O', 2, 'epoxidation')\n",
      "1479\n",
      "('O', 2, 'epoxidation')\n",
      "1480\n",
      "('C', 3, 'O', 1, 'C', 3)\n",
      "1481\n",
      "('O', 2, 'epoxidation')\n",
      "1482\n",
      "('O', 2, 'epoxidation')\n",
      "1483\n",
      "('O', 1)\n",
      "1484\n",
      "('O', 2, 'epoxidation')\n",
      "1485\n",
      "('O', 1)\n",
      "1486\n",
      "('O', 1)\n",
      "1487\n",
      "('O', 2, 'epoxidation')\n",
      "1488\n",
      "('O', 1)\n",
      "1489\n",
      "('O', 1)\n",
      "1490\n",
      "('O', 1)\n",
      "1491\n",
      "('O', 1)\n",
      "1492\n",
      "('O', 1)\n",
      "1493\n",
      "('O', 1)\n",
      "1494\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1495\n",
      "('O', 1)\n",
      "1496\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "1497\n",
      "('O', 1)\n",
      "1498\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "1499\n",
      "('O', 1)\n",
      "1500\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "1501\n",
      "('O', 1)\n",
      "1502\n",
      "('O', 1)\n",
      "1503\n",
      "('O', 1)\n",
      "1504\n",
      "('O', 1)\n",
      "1505\n",
      "('O', 1)\n",
      "1506\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "1507\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "1508\n",
      "('O', 1)\n",
      "1509\n",
      "('O', 1)\n",
      "1510\n",
      "('O', 1)\n",
      "1511\n",
      "('O', 1)\n",
      "1512\n",
      "('O', 1)\n",
      "1513\n",
      "('O', 1)\n",
      "1514\n",
      "('O', 1)\n",
      "1515\n",
      "('O', 1)\n",
      "1516\n",
      "('O', 1)\n",
      "1517\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:48] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "1518\n",
      "('O', 1)\n",
      "1519\n",
      "('O', 1)\n",
      "1520\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "1521\n",
      "('O', 1, 'O', 2)\n",
      "1522\n",
      "('O', 1, 'O', 2)\n",
      "1523\n",
      "('C', 3, 'O', 2)\n",
      "1524\n",
      "('O', 2, 'C', 3)\n",
      "1525\n",
      "('C', 3, 'O', 2)\n",
      "1526\n",
      "('O', 1, 'O', 2)\n",
      "1527\n",
      "('C', 1)\n",
      "1528\n",
      "('O', 1)\n",
      "1529\n",
      "('C', 1)\n",
      "1530\n",
      "('O', 1)\n",
      "1531\n",
      "('C', 1)\n",
      "1532\n",
      "('O', 1)\n",
      "1533\n",
      "('O', 1)\n",
      "1534\n",
      "('O', 1)\n",
      "1535\n",
      "('O', 1)\n",
      "1537\n",
      "('O', 1)\n",
      "1538\n",
      "central iron atom reduction\n",
      "1539\n",
      "('O', 1)\n",
      "1540\n",
      "('O', 1)\n",
      "1541\n",
      "('O', 1)\n",
      "1542\n",
      "('O', 1)\n",
      "1543\n",
      "('O', 1)\n",
      "1544\n",
      "('O', 1)\n",
      "1545\n",
      "('O', 1)\n",
      "1546\n",
      "('O', 1)\n",
      "1547\n",
      "('O', 1)\n",
      "1548\n",
      "('O', 1)\n",
      "1549\n",
      "('O', 1)\n",
      "1550\n",
      "('O', 1)\n",
      "1551\n",
      "('O', 1)\n",
      "1552\n",
      "('O', 1)\n",
      "1553\n",
      "('O', 1)\n",
      "1554\n",
      "('O', 1, 'O', 2)\n",
      "1555\n",
      "('O', 1)\n",
      "1556\n",
      "('O', 1)\n",
      "1557\n",
      "('O', 1)\n",
      "1558\n",
      "('O', 1)\n",
      "1559\n",
      "('O', 1)\n",
      "1562\n",
      "('O', 1)\n",
      "1563\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:50] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:50] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:50] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:50] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:50] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:50] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:50] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1564\n",
      "('O', 1)\n",
      "1565\n",
      "('O', 1, 'O', 2)\n",
      "1566\n",
      "('O', 1)\n",
      "1567\n",
      "('O', 1, 'O', 2)\n",
      "1568\n",
      "('O', 1, 'O', 2)\n",
      "1569\n",
      "('O', 1, 'O', 2)\n",
      "1570\n",
      "('O', 1)\n",
      "1571\n",
      "('O', 1)\n",
      "1572\n",
      "('O', 1, 'O', 2)\n",
      "1573\n",
      "('O', 1)\n",
      "1574\n",
      "('O', 1)\n",
      "1575\n",
      "('O', 1)\n",
      "1576\n",
      "('O', 1)\n",
      "1577\n",
      "('O', 1)\n",
      "1578\n",
      "('O', 1)\n",
      "1579\n",
      "('O', 1)\n",
      "1580\n",
      "('O', 1, 'O', 2)\n",
      "1581\n",
      "('O', 1)\n",
      "1582\n",
      "('O', 1, 'O', 2)\n",
      "1583\n",
      "('O', 1, 'O', 2)\n",
      "1584\n",
      "('O', 1, 'O', 2)\n",
      "1585\n",
      "('O', 1)\n",
      "1586\n",
      "('O', 1)\n",
      "1587\n",
      "('O', 1, 'O', 2)\n",
      "1588\n",
      "('O', 1)\n",
      "1589\n",
      "('O', 1)\n",
      "1590\n",
      "('O', 1)\n",
      "1591\n",
      "('O', 1)\n",
      "1592\n",
      "('O', 1)\n",
      "1593\n",
      "('O', 1)\n",
      "1594\n",
      "('O', 1)\n",
      "1595\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:52] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:52] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:52] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:52] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:52] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:52] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1596\n",
      "('O', 1)\n",
      "1597\n",
      "('O', 2, 'oxidation')\n",
      "1598\n",
      "('O', 1)\n",
      "1599\n",
      "('O', 2, 'oxidation')\n",
      "1600\n",
      "('O', 2, 'epoxidation')\n",
      "1601\n",
      "('O', 1)\n",
      "1602\n",
      "('O', 1)\n",
      "1604\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1605\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1606\n",
      "('O', 1)\n",
      "1607\n",
      "('O', 1, 'O', 2)\n",
      "1608\n",
      "('O', 1)\n",
      "1609\n",
      "('O', 1)\n",
      "1610\n",
      "('O', 1)\n",
      "1611\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "1612\n",
      "('O', 1)\n",
      "1613\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "1614\n",
      "('O', 1)\n",
      "1615\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "1616\n",
      "('O', 1)\n",
      "1617\n",
      "('O', 1)\n",
      "1618\n",
      "('O', 1)\n",
      "1619\n",
      "('O', 1)\n",
      "1620\n",
      "('O', 1)\n",
      "1621\n",
      "('O', 1)\n",
      "1622\n",
      "('O', 1)\n",
      "1623\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:55] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:55] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:55] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1624\n",
      "('O', 1)\n",
      "1625\n",
      "('O', 1)\n",
      "1626\n",
      "('O', 1)\n",
      "1627\n",
      "('O', 1)\n",
      "1628\n",
      "('O', 2, 'epoxidation')\n",
      "1629\n",
      "('O', 2, 'epoxidation')\n",
      "1630\n",
      "('O', 2, 'epoxidation')\n",
      "1631\n",
      "('O', 1)\n",
      "1632\n",
      "('O', 1)\n",
      "1633\n",
      "('O', 1)\n",
      "1634\n",
      "('O', 1)\n",
      "1635\n",
      "('O', 1)\n",
      "1636\n",
      "('O', 1)\n",
      "1637\n",
      "('O', 1, 'O', 2)\n",
      "1638\n",
      "('O', 1)\n",
      "1639\n",
      "('O', 1)\n",
      "1640\n",
      "('O', 1)\n",
      "1641\n",
      "('O', 1)\n",
      "1642\n",
      "('O', 1)\n",
      "1643\n",
      "('O', 1)\n",
      "1644\n",
      "('O', 1)\n",
      "1645\n",
      "('O', 1)\n",
      "1646\n",
      "('O', 1)\n",
      "1647\n",
      "('O', 1)\n",
      "1648\n",
      "('O', 1)\n",
      "1649\n",
      "('O', 1)\n",
      "1650\n",
      "('O', 1)\n",
      "1651\n",
      "('O', 1)\n",
      "1652\n",
      "('O', 1)\n",
      "1653\n",
      "('O', 1)\n",
      "1654\n",
      "('O', 1)\n",
      "1656\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1657\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1658\n",
      "('O', 1)\n",
      "1659\n",
      "('O', 1)\n",
      "1660\n",
      "('O', 1)\n",
      "1661\n",
      "('O', 2, 'oxidation')\n",
      "1662\n",
      "('O', 1)\n",
      "1663\n",
      "('O', 2, 'oxidation')\n",
      "1664\n",
      "('O', 2, 'epoxidation')\n",
      "1665\n",
      "('N', 4, 'N', 3, 'N', 2)\n",
      "1666\n",
      "('N', 4, 'N', 3, 'N', 2)\n",
      "1668\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1669\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1670\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1671\n",
      "('O', 2, 'epoxidation')\n",
      "1672\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1673\n",
      "('O', 2, 'epoxidation')\n",
      "1674\n",
      "('O', 2, 'epoxidation')\n",
      "1675\n",
      "('O', 2, 'epoxidation')\n",
      "1676\n",
      "('O', 1)\n",
      "1677\n",
      "('O', 1)\n",
      "1678\n",
      "('O', 1)\n",
      "1679\n",
      "('O', 1)\n",
      "1680\n",
      "('O', 1)\n",
      "1681\n",
      "('O', 1)\n",
      "1682\n",
      "('O', 1, 'O', 2)\n",
      "1683\n",
      "('O', 1)\n",
      "1684\n",
      "('O', 1)\n",
      "1685\n",
      "('O', 1)\n",
      "1686\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1687\n",
      "('O', 1)\n",
      "1688\n",
      "('O', 1)\n",
      "1689\n",
      "('O', 1)\n",
      "1690\n",
      "('O', 1)\n",
      "1692\n",
      "('O', 1)\n",
      "1693\n",
      "('O', 1)\n",
      "1694\n",
      "('O', 1)\n",
      "1695\n",
      "('O', 1)\n",
      "1696\n",
      "('O', 1)\n",
      "1697\n",
      "('O', 1)\n",
      "1698\n",
      "('O', 1)\n",
      "1699\n",
      "('O', 1)\n",
      "1700\n",
      "('O', 1)\n",
      "1701\n",
      "('O', 1)\n",
      "1702\n",
      "('O', 1)\n",
      "1703\n",
      "('O', 1)\n",
      "1704\n",
      "('O', 1)\n",
      "1705\n",
      "('O', 1)\n",
      "1706\n",
      "('O', 1)\n",
      "1707\n",
      "('O', 1)\n",
      "1708\n",
      "('O', 1)\n",
      "1709\n",
      "('O', 1)\n",
      "1710\n",
      "('O', 1)\n",
      "1714\n",
      "('O', 2, 'epoxidation')\n",
      "1715\n",
      "('O', 2, 'epoxidation')\n",
      "1716\n",
      "('O', 2, 'epoxidation')\n",
      "1717\n",
      "('O', 2, 'epoxidation')\n",
      "1718\n",
      "('O', 2, 'epoxidation')\n",
      "1719\n",
      "('O', 2, 'epoxidation')\n",
      "1720\n",
      "('O', 2, 'epoxidation')\n",
      "1721\n",
      "('O', 2, 'epoxidation')\n",
      "1722\n",
      "('O', 2, 'epoxidation')\n",
      "1723\n",
      "('O', 2, 'epoxidation')\n",
      "1724\n",
      "('O', 2, 'epoxidation')\n",
      "1725\n",
      "('O', 1)\n",
      "1726\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1728\n",
      "('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "1729\n",
      "ring\n",
      "1730\n",
      "('O', 1)\n",
      "1733\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "1734\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:46:58] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1735\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "1736\n",
      "('O', 1)\n",
      "1737\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "1738\n",
      "('O', 1)\n",
      "1739\n",
      "('O', 1)\n",
      "1740\n",
      "('O', 1)\n",
      "1741\n",
      "('O', 1)\n",
      "1742\n",
      "('O', 1)\n",
      "1743\n",
      "('C', 3, 'O', 2)\n",
      "1744\n",
      "('O', 1)\n",
      "1745\n",
      "('O', 1, 'O', 2)\n",
      "1746\n",
      "('O', 1, 'O', 2)\n",
      "1747\n",
      "('C', 3, 'O', 2, 'O', 2, 'O', 1)\n",
      "1748\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1749\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1750\n",
      "('O', 1)\n",
      "1751\n",
      "('O', 1)\n",
      "1753\n",
      "('O', 1)\n",
      "1754\n",
      "('O', 1)\n",
      "1755\n",
      "('O', 1, 'O', 2)\n",
      "1756\n",
      "('O', 1)\n",
      "1757\n",
      "('O', 1)\n",
      "1758\n",
      "('O', 1)\n",
      "1759\n",
      "('O', 1)\n",
      "1760\n",
      "('O', 1)\n",
      "1761\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "1762\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "1763\n",
      "('O', 1)\n",
      "1771\n",
      "('O', 1)\n",
      "1772\n",
      "('O', 1)\n",
      "1773\n",
      "('O', 1)\n",
      "1774\n",
      "('O', 1)\n",
      "1775\n",
      "('O', 1)\n",
      "1776\n",
      "('O', 2, 'epoxidation')\n",
      "1777\n",
      "('O', 2, 'epoxidation')\n",
      "1778\n",
      "('O', 1)\n",
      "1779\n",
      "('O', 2, 'epoxidation')\n",
      "1780\n",
      "('O', 1)\n",
      "1781\n",
      "('O', 2, 'epoxidation')\n",
      "1782\n",
      "('O', 2, 'epoxidation')\n",
      "1783\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 2, 'epoxidation')\n",
      "1784\n",
      "('O', 2, 'epoxidation')\n",
      "1785\n",
      "('O', 1)\n",
      "1786\n",
      "('O', 1)\n",
      "1787\n",
      "('O', 1)\n",
      "1788\n",
      "('O', 1)\n",
      "1789\n",
      "('O', 1)\n",
      "1790\n",
      "('O', 1)\n",
      "1791\n",
      "('O', 1)\n",
      "1792\n",
      "('O', 1)\n",
      "1793\n",
      "('O', 1)\n",
      "1794\n",
      "('O', 1)\n",
      "1795\n",
      "('O', 1)\n",
      "1796\n",
      "('O', 1)\n",
      "1797\n",
      "('O', 1)\n",
      "1798\n",
      "('O', 1)\n",
      "1799\n",
      "('O', 1)\n",
      "1801\n",
      "('O', 1)\n",
      "1805\n",
      "('O', 1)\n",
      "1806\n",
      "('O', 1)\n",
      "1807\n",
      "('O', 1)\n",
      "1808\n",
      "('O', 1)\n",
      "1809\n",
      "('O', 1)\n",
      "1810\n",
      "('O', 1)\n",
      "1811\n",
      "('O', 1)\n",
      "1812\n",
      "('O', 1)\n",
      "1813\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1814\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1815\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1816\n",
      "('O', 2, 'epoxidation')\n",
      "1817\n",
      "('O', 2, 'epoxidation')\n",
      "1818\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1819\n",
      "('O', 2, 'epoxidation')\n",
      "1820\n",
      "('O', 1)\n",
      "1821\n",
      "('O', 2, 'epoxidation')\n",
      "1822\n",
      "('O', 2, 'epoxidation')\n",
      "1823\n",
      "('O', 2, 'epoxidation')\n",
      "1824\n",
      "('O', 2, 'epoxidation')\n",
      "1825\n",
      "('O', 1)\n",
      "1826\n",
      "('O', 1)\n",
      "1827\n",
      "('O', 1)\n",
      "1828\n",
      "('O', 1)\n",
      "1829\n",
      "('O', 1)\n",
      "1830\n",
      "('O', 1)\n",
      "1831\n",
      "('O', 1)\n",
      "1832\n",
      "('O', 1)\n",
      "1833\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1834\n",
      "('O', 1)\n",
      "1835\n",
      "('O', 1)\n",
      "1836\n",
      "('O', 1, 'O', 2)\n",
      "1837\n",
      "('O', 1)\n",
      "1838\n",
      "('O', 1)\n",
      "1839\n",
      "('O', 1)\n",
      "1840\n",
      "('O', 1)\n",
      "1841\n",
      "('O', 1)\n",
      "1842\n",
      "('O', 1)\n",
      "1843\n",
      "('O', 1)\n",
      "1844\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1846\n",
      "('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "1847\n",
      "ring\n",
      "1848\n",
      "('O', 1)\n",
      "1849\n",
      "('O', 1)\n",
      "1853\n",
      "('O', 1, 'O', 1)\n",
      "1861\n",
      "('C', 3, 'O', 2)\n",
      "1862\n",
      "('O', 1)\n",
      "1863\n",
      "('O', 1, 'O', 2)\n",
      "1864\n",
      "('O', 1, 'O', 2)\n",
      "1865\n",
      "('C', 3, 'O', 2, 'O', 2, 'O', 1)\n",
      "1866\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1867\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "1868\n",
      "('O', 1)\n",
      "1869\n",
      "('O', 1)\n",
      "1871\n",
      "('O', 1)\n",
      "1872\n",
      "('C', 4, 'C', 3, 'C', 4, 'C', 2, 'C', 4, 'N', 4, 'C', 1, 'C', 2, 'C', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'C', 4, 'O', 1, 'C', 3, 'C', 4, 'C', 3, 'C', 3, 'C', 4, 'O', 1)\n",
      "1873\n",
      "('O', 1)\n",
      "1874\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1876\n",
      "('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "1877\n",
      "ring\n",
      "1879\n",
      "('O', 1)\n",
      "1880\n",
      "('O', 1, 'O', 1)\n",
      "1881\n",
      "('O', 1, 'O', 1)\n",
      "1883\n",
      "('N', 4, 'C', 4, 'C', 2, 'C', 2, 'C', 4, 'N', 2, 'C', 4, 'C', 2, 'S', 1, 'C', 4, 'O', 2, 'N', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 1, 'C', 4, 'O', 2, 'O', 1)\n",
      "1884\n",
      "('O', 1)\n",
      "1885\n",
      "('O', 1)\n",
      "1886\n",
      "('O', 1)\n",
      "1888\n",
      "('O', 1)\n",
      "1889\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1891\n",
      "('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "1892\n",
      "ring\n",
      "1893\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:03] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:47:03] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "1894\n",
      "('O', 1, 'O', 2)\n",
      "1895\n",
      "('C', 3, 'O', 2)\n",
      "1896\n",
      "('O', 2, 'C', 3)\n",
      "1897\n",
      "('C', 3, 'O', 2)\n",
      "1898\n",
      "('O', 1, 'O', 2)\n",
      "1899\n",
      "('C', 1)\n",
      "1900\n",
      "('O', 1)\n",
      "1901\n",
      "('C', 1)\n",
      "1902\n",
      "('O', 1)\n",
      "1903\n",
      "('C', 1)\n",
      "1904\n",
      "('O', 1)\n",
      "1905\n",
      "('O', 1, 'O', 2)\n",
      "1906\n",
      "('O', 1, 'O', 2)\n",
      "1907\n",
      "('C', 3, 'O', 2)\n",
      "1908\n",
      "('O', 2, 'C', 3)\n",
      "1909\n",
      "('C', 3, 'O', 2)\n",
      "1910\n",
      "('O', 1, 'O', 2)\n",
      "1911\n",
      "('C', 1)\n",
      "1912\n",
      "('O', 1)\n",
      "1913\n",
      "('C', 1)\n",
      "1914\n",
      "('O', 1)\n",
      "1915\n",
      "('C', 1)\n",
      "1916\n",
      "('O', 1)\n",
      "1917\n",
      "('O', 1)\n",
      "1918\n",
      "('O', 1)\n",
      "1919\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:06] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:06] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:06] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:06] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:06] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:06] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "1920\n",
      "('O', 1)\n",
      "1921\n",
      "('O', 2, 'oxidation')\n",
      "1922\n",
      "('O', 1)\n",
      "1923\n",
      "('O', 2, 'oxidation')\n",
      "1924\n",
      "('O', 2, 'epoxidation')\n",
      "1925\n",
      "('O', 1)\n",
      "1926\n",
      "('O', 1)\n",
      "1927\n",
      "('O', 1)\n",
      "1928\n",
      "('O', 1)\n",
      "1929\n",
      "('O', 1)\n",
      "1930\n",
      "('O', 1)\n",
      "1931\n",
      "('O', 1)\n",
      "1932\n",
      "('O', 1, 'O', 1)\n",
      "1933\n",
      "('O', 1, 'O', 1)\n",
      "1934\n",
      "('O', 2, 'epoxidation')\n",
      "1935\n",
      "('O', 2, 'epoxidation')\n",
      "1936\n",
      "('O', 2, 'epoxidation')\n",
      "1937\n",
      "('O', 2, 'epoxidation')\n",
      "1938\n",
      "('O', 2, 'epoxidation')\n",
      "1939\n",
      "('O', 2, 'epoxidation')\n",
      "1940\n",
      "('O', 2, 'epoxidation')\n",
      "1941\n",
      "('O', 2, 'epoxidation')\n",
      "1942\n",
      "('O', 2, 'epoxidation')\n",
      "1943\n",
      "('O', 2, 'epoxidation')\n",
      "1944\n",
      "('O', 2, 'epoxidation')\n",
      "1945\n",
      "('O', 2, 'oxidation')\n",
      "1946\n",
      "('O', 1)\n",
      "1947\n",
      "('O', 2, 'oxidation')\n",
      "1948\n",
      "('O', 1)\n",
      "1949\n",
      "('O', 1)\n",
      "1950\n",
      "('O', 1)\n",
      "1951\n",
      "('O', 1)\n",
      "1952\n",
      "('O', 1)\n",
      "1953\n",
      "('O', 1)\n",
      "1954\n",
      "('O', 1)\n",
      "1955\n",
      "('O', 1)\n",
      "1956\n",
      "('O', 1)\n",
      "1957\n",
      "('O', 1)\n",
      "1958\n",
      "('O', 1)\n",
      "1959\n",
      "('C', 4, 'C', 2, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'N', 3, 'C', 1, 'C', 2, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'O', 2)\n",
      "1960\n",
      "('C', 2, '*', 1, 'O', 1, 'O', 2)\n",
      "1961\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "double bond\n",
      "1965\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1966\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1967\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1968\n",
      "('O', 2, 'epoxidation')\n",
      "1969\n",
      "('O', 2, 'epoxidation')\n",
      "1970\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1971\n",
      "('O', 2, 'epoxidation')\n",
      "1972\n",
      "('O', 1)\n",
      "1973\n",
      "('O', 2, 'epoxidation')\n",
      "1974\n",
      "('O', 2, 'epoxidation')\n",
      "1975\n",
      "('O', 2, 'epoxidation')\n",
      "1976\n",
      "('O', 2, 'epoxidation')\n",
      "1977\n",
      "('O', 1)\n",
      "1978\n",
      "('O', 1)\n",
      "1979\n",
      "('O', 1)\n",
      "1980\n",
      "('O', 1)\n",
      "1981\n",
      "('O', 1)\n",
      "1982\n",
      "('O', 1)\n",
      "1983\n",
      "('O', 1)\n",
      "1984\n",
      "('O', 1)\n",
      "1985\n",
      "('O', 1)\n",
      "1986\n",
      "('O', 1)\n",
      "1987\n",
      "('O', 1)\n",
      "1988\n",
      "('O', 1, 'O', 2)\n",
      "1989\n",
      "('O', 1)\n",
      "1990\n",
      "('O', 1)\n",
      "1991\n",
      "('O', 1)\n",
      "1992\n",
      "('O', 1)\n",
      "1993\n",
      "('O', 1)\n",
      "1994\n",
      "('O', 1)\n",
      "1995\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1996\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1997\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "1998\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 2, 'epoxidation')\n",
      "1999\n",
      "('O', 2, 'epoxidation')\n",
      "2000\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2001\n",
      "('O', 2, 'epoxidation')\n",
      "2002\n",
      "('O', 1)\n",
      "2003\n",
      "('O', 2, 'epoxidation')\n",
      "2004\n",
      "('O', 2, 'epoxidation')\n",
      "2005\n",
      "('O', 2, 'epoxidation')\n",
      "2006\n",
      "('O', 2, 'epoxidation')\n",
      "2007\n",
      "('O', 1)\n",
      "2008\n",
      "('O', 1)\n",
      "2009\n",
      "('O', 1)\n",
      "2010\n",
      "('O', 1)\n",
      "2011\n",
      "('O', 1)\n",
      "2012\n",
      "('O', 1)\n",
      "2013\n",
      "('O', 1)\n",
      "2014\n",
      "('O', 1)\n",
      "2015\n",
      "('O', 1)\n",
      "2016\n",
      "('O', 1)\n",
      "2017\n",
      "('O', 1)\n",
      "2018\n",
      "('O', 1, 'O', 2)\n",
      "2019\n",
      "('O', 1)\n",
      "2020\n",
      "('O', 1)\n",
      "2021\n",
      "('O', 1)\n",
      "2022\n",
      "('O', 1)\n",
      "2023\n",
      "('O', 1)\n",
      "2024\n",
      "('O', 1)\n",
      "2025\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2026\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2027\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2028\n",
      "('O', 2, 'epoxidation')\n",
      "2029\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2030\n",
      "('O', 2, 'epoxidation')\n",
      "2031\n",
      "('O', 2, 'epoxidation')\n",
      "2032\n",
      "('O', 2, 'epoxidation')\n",
      "2033\n",
      "('O', 1)\n",
      "2034\n",
      "('O', 1)\n",
      "2035\n",
      "('O', 1)\n",
      "2036\n",
      "('O', 1)\n",
      "2037\n",
      "('O', 1)\n",
      "2038\n",
      "('O', 1)\n",
      "2039\n",
      "('O', 1, 'O', 2)\n",
      "2040\n",
      "('O', 1)\n",
      "2041\n",
      "('O', 1)\n",
      "2042\n",
      "('O', 1)\n",
      "2043\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2044\n",
      "('O', 1)\n",
      "2045\n",
      "('O', 1)\n",
      "2046\n",
      "('O', 1)\n",
      "2047\n",
      "('O', 1)\n",
      "2048\n",
      "('O', 2, 'epoxidation')\n",
      "2049\n",
      "('O', 1)\n",
      "2050\n",
      "('O', 2, 'epoxidation')\n",
      "2051\n",
      "('O', 2, 'epoxidation')\n",
      "2052\n",
      "('O', 1)\n",
      "2053\n",
      "('O', 2, 'epoxidation')\n",
      "2054\n",
      "('O', 2, 'epoxidation')\n",
      "2055\n",
      "('O', 1)\n",
      "2056\n",
      "('O', 1)\n",
      "2066\n",
      "('O', 1, 'O', 2)\n",
      "2074\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "2075\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "2076\n",
      "('O', 1)\n",
      "2077\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:08] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2078\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2079\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "2080\n",
      "('O', 1)\n",
      "2081\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "2082\n",
      "('O', 1)\n",
      "2083\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "2084\n",
      "('O', 1)\n",
      "2085\n",
      "('O', 1)\n",
      "2086\n",
      "('O', 1)\n",
      "2087\n",
      "('O', 1)\n",
      "2088\n",
      "('O', 1)\n",
      "2089\n",
      "('O', 1)\n",
      "2090\n",
      "('O', 1)\n",
      "2091\n",
      "('O', 1)\n",
      "2092\n",
      "('O', 1)\n",
      "2093\n",
      "('O', 1)\n",
      "2094\n",
      "('O', 1)\n",
      "2095\n",
      "('O', 1)\n",
      "2096\n",
      "('O', 1)\n",
      "2097\n",
      "('O', 1)\n",
      "2098\n",
      "('O', 1)\n",
      "2099\n",
      "('O', 1, 'O', 2)\n",
      "2100\n",
      "('O', 1)\n",
      "2101\n",
      "('O', 1, 'O', 2)\n",
      "2102\n",
      "('O', 1)\n",
      "2103\n",
      "('O', 1)\n",
      "2104\n",
      "('O', 1)\n",
      "2105\n",
      "('O', 1)\n",
      "2106\n",
      "('O', 1)\n",
      "2107\n",
      "('O', 1)\n",
      "2108\n",
      "('O', 1)\n",
      "2109\n",
      "('O', 1)\n",
      "2110\n",
      "('O', 1)\n",
      "2111\n",
      "('O', 1)\n",
      "2112\n",
      "('O', 1)\n",
      "2113\n",
      "('O', 1)\n",
      "2114\n",
      "('O', 1)\n",
      "2115\n",
      "('O', 1)\n",
      "2116\n",
      "('O', 1)\n",
      "2117\n",
      "('O', 1)\n",
      "2118\n",
      "('O', 1)\n",
      "2119\n",
      "('O', 1)\n",
      "2120\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "2121\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:10] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:10] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:10] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:10] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:10] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:10] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:11] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2122\n",
      "('O', 1)\n",
      "2123\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "2124\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "2125\n",
      "('O', 1)\n",
      "2126\n",
      "('O', 1)\n",
      "2127\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "2128\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2129\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2130\n",
      "('O', 1)\n",
      "2131\n",
      "('O', 1)\n",
      "2132\n",
      "('O', 1)\n",
      "2133\n",
      "('O', 1)\n",
      "2134\n",
      "('O', 1)\n",
      "2135\n",
      "('O', 1)\n",
      "2136\n",
      "('O', 1)\n",
      "2137\n",
      "('O', 1)\n",
      "2138\n",
      "('O', 1)\n",
      "2139\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:13] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2140\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2141\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2142\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2143\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2144\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2145\n",
      "('O', 1)\n",
      "2146\n",
      "('O', 1)\n",
      "2147\n",
      "('O', 1)\n",
      "2148\n",
      "('O', 1)\n",
      "2154\n",
      "('O', 1)\n",
      "2155\n",
      "('O', 1)\n",
      "2156\n",
      "('O', 1)\n",
      "2157\n",
      "('O', 1)\n",
      "2158\n",
      "('O', 2)\n",
      "2161\n",
      "('C', 1)\n",
      "2163\n",
      "('C', 1)\n",
      "2164\n",
      "('O', 1)\n",
      "2165\n",
      "('O', 1)\n",
      "2166\n",
      "('O', 1)\n",
      "2167\n",
      "('O', 1)\n",
      "2168\n",
      "('O', 1)\n",
      "2169\n",
      "('O', 2, 'epoxidation')\n",
      "2170\n",
      "('O', 2, 'epoxidation')\n",
      "2171\n",
      "('O', 2, 'epoxidation')\n",
      "2172\n",
      "('O', 2, 'epoxidation')\n",
      "2173\n",
      "('O', 1)\n",
      "2174\n",
      "('O', 1)\n",
      "2175\n",
      "('O', 2, 'epoxidation')\n",
      "2176\n",
      "('O', 2, 'epoxidation')\n",
      "2177\n",
      "('O', 2, 'epoxidation')\n",
      "2178\n",
      "('O', 2, 'epoxidation')\n",
      "2179\n",
      "('O', 1)\n",
      "2180\n",
      "('O', 1)\n",
      "2181\n",
      "('O', 1)\n",
      "2182\n",
      "('O', 1)\n",
      "2189\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:18] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2190\n",
      "('O', 1)\n",
      "2196\n",
      "('O', 1, 'O', 2)\n",
      "2197\n",
      "('O', 1)\n",
      "2198\n",
      "('O', 1, 'O', 2)\n",
      "2199\n",
      "('O', 1)\n",
      "2200\n",
      "('O', 1, 'O', 2)\n",
      "2201\n",
      "('O', 1)\n",
      "2202\n",
      "('O', 1, 'O', 2)\n",
      "2203\n",
      "('O', 1)\n",
      "2204\n",
      "('O', 1, 'O', 2)\n",
      "2205\n",
      "('O', 1)\n",
      "2230\n",
      "('O', 1, 'O', 2)\n",
      "2231\n",
      "('O', 1)\n",
      "2232\n",
      "('O', 1, 'O', 2)\n",
      "2233\n",
      "('O', 1)\n",
      "2234\n",
      "('O', 1, 'O', 2)\n",
      "2235\n",
      "('O', 1)\n",
      "2236\n",
      "('O', 1, 'O', 2)\n",
      "2238\n",
      "('O', 1, 'O', 2)\n",
      "2239\n",
      "('O', 1)\n",
      "2240\n",
      "('O', 1, 'O', 2)\n",
      "2241\n",
      "('O', 1)\n",
      "2242\n",
      "('O', 1, 'O', 2)\n",
      "2243\n",
      "('O', 2, 'oxidation')\n",
      "2244\n",
      "('O', 1)\n",
      "2245\n",
      "('O', 1)\n",
      "2246\n",
      "('O', 1)\n",
      "2247\n",
      "('O', 1)\n",
      "2248\n",
      "('O', 1)\n",
      "2249\n",
      "('O', 1, 'O', 2)\n",
      "2250\n",
      "('O', 1)\n",
      "2252\n",
      "('O', 1)\n",
      "2253\n",
      "('O', 1, 'O', 2)\n",
      "2254\n",
      "('O', 1)\n",
      "2257\n",
      "ring\n",
      "2258\n",
      "ring\n",
      "2259\n",
      "('C', 1)\n",
      "2260\n",
      "('C', 1)\n",
      "2261\n",
      "('O', 1)\n",
      "2262\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2263\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2264\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2265\n",
      "('O', 2, 'epoxidation')\n",
      "2266\n",
      "('O', 2, 'epoxidation')\n",
      "2267\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2268\n",
      "('O', 2, 'epoxidation')\n",
      "2269\n",
      "('O', 1)\n",
      "2270\n",
      "('O', 2, 'epoxidation')\n",
      "2271\n",
      "('O', 2, 'epoxidation')\n",
      "2272\n",
      "('O', 2, 'epoxidation')\n",
      "2273\n",
      "('O', 2, 'epoxidation')\n",
      "2274\n",
      "('O', 1)\n",
      "2275\n",
      "('O', 1)\n",
      "2276\n",
      "('O', 1)\n",
      "2277\n",
      "('O', 1)\n",
      "2278\n",
      "('O', 1)\n",
      "2279\n",
      "('O', 1)\n",
      "2280\n",
      "('O', 1)\n",
      "2281\n",
      "('O', 1)\n",
      "2282\n",
      "('O', 1)\n",
      "2283\n",
      "('O', 1)\n",
      "2284\n",
      "('O', 1)\n",
      "2285\n",
      "('O', 1, 'O', 2)\n",
      "2286\n",
      "('O', 1)\n",
      "2287\n",
      "('O', 1)\n",
      "2288\n",
      "('O', 1)\n",
      "2289\n",
      "('O', 1)\n",
      "2290\n",
      "('O', 1)\n",
      "2291\n",
      "('O', 1)\n",
      "2293\n",
      "double bond\n",
      "2295\n",
      "('O', 1)\n",
      "2296\n",
      "('O', 1)\n",
      "2297\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:20] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "2298\n",
      "('O', 1, 'O', 2)\n",
      "2299\n",
      "('C', 3, 'O', 2)\n",
      "2300\n",
      "('O', 2, 'C', 3)\n",
      "2301\n",
      "('C', 3, 'O', 2)\n",
      "2302\n",
      "('O', 1, 'O', 2)\n",
      "2303\n",
      "('C', 1)\n",
      "2304\n",
      "('O', 1)\n",
      "2305\n",
      "('C', 1)\n",
      "2306\n",
      "('O', 1)\n",
      "2307\n",
      "('C', 1)\n",
      "2308\n",
      "('O', 1)\n",
      "2309\n",
      "('O', 1)\n",
      "2310\n",
      "('O', 1)\n",
      "2311\n",
      "('O', 1)\n",
      "2312\n",
      "('O', 1, 'O', 2)\n",
      "2313\n",
      "('O', 1)\n",
      "2314\n",
      "('O', 1, 'O', 2)\n",
      "2315\n",
      "('O', 1, 'O', 2)\n",
      "2316\n",
      "('O', 1, 'O', 2)\n",
      "2317\n",
      "('O', 1)\n",
      "2318\n",
      "('O', 1)\n",
      "2319\n",
      "('O', 1, 'O', 2)\n",
      "2320\n",
      "('O', 1)\n",
      "2321\n",
      "('O', 1)\n",
      "2322\n",
      "('O', 1)\n",
      "2323\n",
      "('O', 1)\n",
      "2324\n",
      "('O', 1)\n",
      "2325\n",
      "('O', 1)\n",
      "2326\n",
      "('O', 1)\n",
      "2327\n",
      "('O', 1, 'O', 2)\n",
      "2328\n",
      "('O', 1)\n",
      "2329\n",
      "('O', 1)\n",
      "2330\n",
      "('O', 1)\n",
      "2331\n",
      "('O', 1)\n",
      "2332\n",
      "('O', 1)\n",
      "2333\n",
      "('O', 1)\n",
      "2334\n",
      "('O', 1)\n",
      "2335\n",
      "('O', 1)\n",
      "2336\n",
      "('O', 1)\n",
      "2337\n",
      "('O', 1, 'C', 1, 'O', 2, 'C', 2)\n",
      "2338\n",
      "('O', 1)\n",
      "2339\n",
      "('O', 1)\n",
      "2340\n",
      "('O', 1)\n",
      "2341\n",
      "('O', 1)\n",
      "2342\n",
      "('O', 1)\n",
      "2343\n",
      "('O', 1)\n",
      "2344\n",
      "('O', 1)\n",
      "2345\n",
      "('O', 1)\n",
      "2346\n",
      "('O', 1)\n",
      "2347\n",
      "('O', 1)\n",
      "2348\n",
      "('O', 1)\n",
      "2349\n",
      "('O', 1)\n",
      "2350\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2351\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2352\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2353\n",
      "('O', 2, 'epoxidation')\n",
      "2354\n",
      "('O', 2, 'epoxidation')\n",
      "2355\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2356\n",
      "('O', 2, 'epoxidation')\n",
      "2357\n",
      "('O', 1)\n",
      "2358\n",
      "('O', 2, 'epoxidation')\n",
      "2359\n",
      "('O', 2, 'epoxidation')\n",
      "2360\n",
      "('O', 2, 'epoxidation')\n",
      "2361\n",
      "('O', 2, 'epoxidation')\n",
      "2362\n",
      "('O', 1)\n",
      "2363\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:47:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2364\n",
      "('O', 1)\n",
      "2365\n",
      "('O', 1)\n",
      "2366\n",
      "('O', 1)\n",
      "2367\n",
      "('O', 1)\n",
      "2368\n",
      "('O', 1)\n",
      "2369\n",
      "('O', 1)\n",
      "2370\n",
      "('O', 1)\n",
      "2371\n",
      "('O', 1)\n",
      "2372\n",
      "('O', 1)\n",
      "2373\n",
      "('O', 1, 'O', 2)\n",
      "2374\n",
      "('O', 1)\n",
      "2375\n",
      "('O', 1)\n",
      "2376\n",
      "('O', 1)\n",
      "2377\n",
      "('O', 1)\n",
      "2378\n",
      "('O', 1)\n",
      "2379\n",
      "('O', 1)\n",
      "2380\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "2381\n",
      "('O', 1)\n",
      "2382\n",
      "('O', 1)\n",
      "2383\n",
      "('O', 1)\n",
      "2384\n",
      "('O', 1)\n",
      "2385\n",
      "('O', 1)\n",
      "2386\n",
      "('O', 1, 'O', 2)\n",
      "2387\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2388\n",
      "('O', 1, 'O', 2)\n",
      "2389\n",
      "('O', 1)\n",
      "2390\n",
      "('O', 1)\n",
      "2391\n",
      "('O', 1)\n",
      "2392\n",
      "('O', 1)\n",
      "2393\n",
      "('O', 1)\n",
      "2394\n",
      "('O', 1)\n",
      "2395\n",
      "('O', 1, 'O', 2)\n",
      "2396\n",
      "('O', 1)\n",
      "2397\n",
      "('O', 1)\n",
      "2398\n",
      "('O', 1)\n",
      "2399\n",
      "('O', 1)\n",
      "2400\n",
      "('O', 1)\n",
      "2401\n",
      "('O', 1)\n",
      "2402\n",
      "('O', 1)\n",
      "2403\n",
      "('O', 1)\n",
      "2404\n",
      "('O', 1)\n",
      "2405\n",
      "('O', 1)\n",
      "2406\n",
      "('O', 1)\n",
      "2407\n",
      "('O', 1)\n",
      "2408\n",
      "('O', 1)\n",
      "2409\n",
      "('O', 1)\n",
      "2410\n",
      "('O', 1)\n",
      "2411\n",
      "('O', 1, 'O', 2)\n",
      "2412\n",
      "('O', 1)\n",
      "2413\n",
      "('O', 1, 'O', 2)\n",
      "2414\n",
      "('O', 1)\n",
      "2415\n",
      "('O', 1)\n",
      "2416\n",
      "('O', 1)\n",
      "2417\n",
      "('O', 1)\n",
      "2418\n",
      "('O', 1)\n",
      "2419\n",
      "('O', 1)\n",
      "2420\n",
      "('O', 1)\n",
      "2421\n",
      "('O', 1)\n",
      "2422\n",
      "('O', 1)\n",
      "2423\n",
      "('O', 1)\n",
      "2424\n",
      "('O', 1)\n",
      "2425\n",
      "('O', 1)\n",
      "2426\n",
      "('O', 1)\n",
      "2427\n",
      "('O', 1)\n",
      "2428\n",
      "('O', 1)\n",
      "2429\n",
      "('O', 1)\n",
      "2430\n",
      "('O', 1)\n",
      "2431\n",
      "('O', 1)\n",
      "2432\n",
      "('O', 1)\n",
      "2433\n",
      "('O', 1, 'O', 2)\n",
      "2434\n",
      "('O', 1)\n",
      "2435\n",
      "('O', 1, 'O', 2)\n",
      "2436\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:23] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2437\n",
      "('O', 1)\n",
      "2438\n",
      "('O', 1)\n",
      "2439\n",
      "('O', 1)\n",
      "2440\n",
      "('O', 1)\n",
      "2441\n",
      "('O', 1)\n",
      "2442\n",
      "('O', 1)\n",
      "2443\n",
      "('O', 1)\n",
      "2444\n",
      "('O', 1)\n",
      "2445\n",
      "('O', 1)\n",
      "2446\n",
      "('O', 1)\n",
      "2447\n",
      "('O', 1)\n",
      "2448\n",
      "('O', 1)\n",
      "2449\n",
      "('O', 1, 'O', 2)\n",
      "2450\n",
      "('O', 1)\n",
      "2451\n",
      "('O', 1, 'O', 2)\n",
      "2452\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:24] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2453\n",
      "('O', 1)\n",
      "2454\n",
      "('O', 1)\n",
      "2455\n",
      "('O', 1)\n",
      "2456\n",
      "('O', 1)\n",
      "2457\n",
      "('O', 1)\n",
      "2458\n",
      "('O', 1)\n",
      "2459\n",
      "('O', 1, 'O', 2)\n",
      "2460\n",
      "('O', 1)\n",
      "2463\n",
      "('O', 1, 'O', 2)\n",
      "2464\n",
      "('O', 1, 'O', 2)\n",
      "2465\n",
      "('C', 3, 'O', 2)\n",
      "2466\n",
      "('O', 2, 'C', 3)\n",
      "2467\n",
      "('C', 3, 'O', 2)\n",
      "2468\n",
      "('O', 1, 'O', 2)\n",
      "2469\n",
      "('C', 1)\n",
      "2470\n",
      "('O', 1)\n",
      "2471\n",
      "('C', 1)\n",
      "2472\n",
      "('O', 1)\n",
      "2473\n",
      "('C', 1)\n",
      "2474\n",
      "('O', 1)\n",
      "2475\n",
      "('O', 1)\n",
      "2476\n",
      "('O', 1)\n",
      "2478\n",
      "double bond\n",
      "2479\n",
      "('O', 1)\n",
      "2484\n",
      "('O', 1)\n",
      "2490\n",
      "('O', 1)\n",
      "2491\n",
      "('O', 1)\n",
      "2493\n",
      "('O', 1)\n",
      "2494\n",
      "('O', 1)\n",
      "2495\n",
      "('O', 1)\n",
      "2496\n",
      "('N', 3, 'C', 3, 'N', 2, 'C', 4, 'O', 2)\n",
      "2497\n",
      "('O', 1)\n",
      "2498\n",
      "('O', 1, 'O', 2)\n",
      "2499\n",
      "('O', 2, 'O', 2)\n",
      "2500\n",
      "('O', 1)\n",
      "2501\n",
      "('O', 1, 'O', 2)\n",
      "2502\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:26] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:47:26] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 2, 'C', 2, 'O', 1, 'N', 1, 'N', 4, 'C', 4, 'O', 2, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'C', 2, 'C', 4, 'O', 2, 'C', 4, 'C', 4, 'O', 2, 'P', 5, 'O', 1, 'O', 1, 'O', 2, 'C', 4, 'O', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'N', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 1)\n",
      "2503\n",
      "('C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 3, 'C', 3, 'O', 1, 'N', 1, 'N', 4, 'C', 4, 'O', 2, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'C', 2, 'C', 4, 'O', 2, 'C', 4, 'C', 4, 'O', 2, 'P', 5, 'O', 1, 'O', 1, 'O', 2, 'C', 4, 'O', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'N', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 1)\n",
      "2504\n",
      "('O', 2, 'epoxidation')\n",
      "2505\n",
      "('O', 1)\n",
      "2506\n",
      "('O', 1)\n",
      "2522\n",
      "('O', 1, 'O', 2)\n",
      "2523\n",
      "('O', 1, 'O', 2)\n",
      "2524\n",
      "('C', 3, 'O', 2)\n",
      "2525\n",
      "('O', 2, 'C', 3)\n",
      "2526\n",
      "('C', 3, 'O', 2)\n",
      "2527\n",
      "('O', 1, 'O', 2)\n",
      "2528\n",
      "('C', 1)\n",
      "2529\n",
      "('O', 1)\n",
      "2530\n",
      "('C', 1)\n",
      "2531\n",
      "('O', 1)\n",
      "2532\n",
      "('C', 1)\n",
      "2533\n",
      "('O', 1)\n",
      "2534\n",
      "('O', 1)\n",
      "2535\n",
      "('O', 1)\n",
      "2539\n",
      "('O', 1)\n",
      "2540\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2542\n",
      "()\n",
      "2543\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2544\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2545\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2546\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2547\n",
      "('O', 2, 'epoxidation')\n",
      "2548\n",
      "('O', 2, 'epoxidation')\n",
      "2549\n",
      "('O', 2, 'epoxidation')\n",
      "2550\n",
      "('O', 2, 'epoxidation')\n",
      "2551\n",
      "('O', 1)\n",
      "2552\n",
      "('O', 1)\n",
      "2553\n",
      "('O', 1)\n",
      "2554\n",
      "('O', 1, 'O', 2)\n",
      "2555\n",
      "('O', 1)\n",
      "2556\n",
      "('O', 1)\n",
      "2557\n",
      "('O', 1)\n",
      "2558\n",
      "('O', 1)\n",
      "2559\n",
      "('O', 1)\n",
      "2560\n",
      "('O', 1)\n",
      "2561\n",
      "('O', 1)\n",
      "2562\n",
      "('C', 1)\n",
      "2563\n",
      "('O', 1)\n",
      "2564\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "2565\n",
      "('O', 1, 'O', 2)\n",
      "2566\n",
      "('C', 3, 'O', 2)\n",
      "2567\n",
      "('O', 2, 'C', 3)\n",
      "2568\n",
      "('C', 3, 'O', 2)\n",
      "2569\n",
      "('O', 1, 'O', 2)\n",
      "2570\n",
      "('C', 1)\n",
      "2571\n",
      "('O', 1)\n",
      "2572\n",
      "('C', 1)\n",
      "2573\n",
      "('O', 1)\n",
      "2574\n",
      "('C', 1)\n",
      "2575\n",
      "('O', 1)\n",
      "2576\n",
      "('O', 1, 'O', 2)\n",
      "2577\n",
      "('O', 1, 'O', 2)\n",
      "2578\n",
      "('C', 3, 'O', 2)\n",
      "2579\n",
      "('O', 2, 'C', 3)\n",
      "2580\n",
      "('C', 3, 'O', 2)\n",
      "2581\n",
      "('O', 1, 'O', 2)\n",
      "2582\n",
      "('C', 1)\n",
      "2583\n",
      "('O', 1)\n",
      "2584\n",
      "('C', 1)\n",
      "2585\n",
      "('O', 1)\n",
      "2586\n",
      "('O', 2, 'O', 1)\n",
      "2587\n",
      "double bond\n",
      "2595\n",
      "('O', 1, 'O', 2)\n",
      "2596\n",
      "('O', 2, 'C', 3)\n",
      "2597\n",
      "('C', 3, 'O', 2)\n",
      "2598\n",
      "('O', 1, 'O', 2)\n",
      "2599\n",
      "('C', 1)\n",
      "2600\n",
      "('O', 1)\n",
      "2601\n",
      "('C', 1)\n",
      "2602\n",
      "('O', 1)\n",
      "2619\n",
      "('O', 1)\n",
      "2621\n",
      "('O', 1)\n",
      "2622\n",
      "('O', 1)\n",
      "2623\n",
      "('O', 1)\n",
      "2624\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "2625\n",
      "('O', 1)\n",
      "2626\n",
      "('O', 1)\n",
      "2627\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "2628\n",
      "('O', 1)\n",
      "2629\n",
      "('O', 1)\n",
      "2630\n",
      "('O', 1)\n",
      "2631\n",
      "('O', 1)\n",
      "2632\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "2633\n",
      "('O', 1)\n",
      "2634\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "2635\n",
      "('O', 1)\n",
      "2636\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "2637\n",
      "('O', 1)\n",
      "2638\n",
      "('O', 1)\n",
      "2639\n",
      "('O', 1)\n",
      "2640\n",
      "('O', 1)\n",
      "2641\n",
      "('O', 1)\n",
      "2642\n",
      "('O', 1)\n",
      "2643\n",
      "('O', 1)\n",
      "2644\n",
      "('O', 1)\n",
      "2645\n",
      "('O', 1)\n",
      "2646\n",
      "('O', 1)\n",
      "2647\n",
      "('O', 1)\n",
      "2648\n",
      "('O', 1)\n",
      "2649\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:30] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2650\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2651\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2652\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "2653\n",
      "('O', 1)\n",
      "2654\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2656\n",
      "()\n",
      "2658\n",
      "('O', 1)\n",
      "2659\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2661\n",
      "('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "2662\n",
      "ring\n",
      "2663\n",
      "('O', 1)\n",
      "2664\n",
      "('O', 1)\n",
      "2665\n",
      "('O', 1)\n",
      "2666\n",
      "('O', 1)\n",
      "2667\n",
      "('O', 1)\n",
      "2668\n",
      "('O', 1)\n",
      "2669\n",
      "('O', 2, 'O', 1)\n",
      "2670\n",
      "('O', 2, 'O', 1)\n",
      "2673\n",
      "('O', 1)\n",
      "2674\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2676\n",
      "('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "2677\n",
      "ring\n",
      "2678\n",
      "('O', 1)\n",
      "2690\n",
      "('O', 1)\n",
      "2691\n",
      "central iron atom reduction\n",
      "2696\n",
      "('O', 2, 'epoxidation')\n",
      "2697\n",
      "('O', 2, 'epoxidation')\n",
      "2698\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 2, 'epoxidation')\n",
      "2699\n",
      "('O', 2, 'epoxidation')\n",
      "2700\n",
      "('O', 2, 'epoxidation')\n",
      "2701\n",
      "('O', 2, 'epoxidation')\n",
      "2702\n",
      "('O', 1, 'O', 2)\n",
      "2703\n",
      "('O', 1)\n",
      "2704\n",
      "('O', 2, 'epoxidation')\n",
      "2705\n",
      "('O', 2, 'epoxidation')\n",
      "2706\n",
      "('O', 1)\n",
      "2707\n",
      "('O', 2, 'epoxidation')\n",
      "2708\n",
      "('O', 2, 'epoxidation')\n",
      "2709\n",
      "('O', 2, 'epoxidation')\n",
      "2710\n",
      "('O', 2, 'epoxidation')\n",
      "2711\n",
      "('O', 2, 'epoxidation')\n",
      "2712\n",
      "('O', 2, 'epoxidation')\n",
      "2713\n",
      "('O', 2, 'epoxidation')\n",
      "2714\n",
      "('O', 1, 'O', 2)\n",
      "2715\n",
      "('O', 1)\n",
      "2716\n",
      "('O', 2, 'epoxidation')\n",
      "2717\n",
      "('O', 2, 'epoxidation')\n",
      "2718\n",
      "('O', 1)\n",
      "2719\n",
      "('O', 2, 'epoxidation')\n",
      "2720\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "2721\n",
      "('O', 1)\n",
      "2722\n",
      "('O', 1)\n",
      "2723\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "2724\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "2725\n",
      "('O', 1)\n",
      "2726\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "2727\n",
      "('O', 1)\n",
      "2728\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "2729\n",
      "('O', 1)\n",
      "2730\n",
      "('O', 1)\n",
      "2731\n",
      "('O', 1)\n",
      "2732\n",
      "('O', 1)\n",
      "2733\n",
      "('O', 1)\n",
      "2735\n",
      "ring\n",
      "2736\n",
      "ring\n",
      "2737\n",
      "ring\n",
      "2738\n",
      "ring\n",
      "2740\n",
      "('C', 1)\n",
      "2741\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2742\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2743\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2744\n",
      "('O', 2, 'epoxidation')\n",
      "2745\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2746\n",
      "('O', 2, 'epoxidation')\n",
      "2747\n",
      "('O', 2, 'epoxidation')\n",
      "2748\n",
      "('O', 2, 'epoxidation')\n",
      "2749\n",
      "('O', 1)\n",
      "2750\n",
      "('O', 1)\n",
      "2751\n",
      "('O', 1)\n",
      "2752\n",
      "('O', 1)\n",
      "2753\n",
      "('O', 1)\n",
      "2754\n",
      "('O', 1)\n",
      "2755\n",
      "('O', 1, 'O', 2)\n",
      "2756\n",
      "('O', 1)\n",
      "2757\n",
      "('O', 1)\n",
      "2758\n",
      "('O', 1)\n",
      "2759\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2760\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2761\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2762\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2763\n",
      "('O', 2, 'epoxidation')\n",
      "2764\n",
      "('O', 2, 'epoxidation')\n",
      "2765\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2766\n",
      "('O', 2, 'epoxidation')\n",
      "2767\n",
      "('O', 1)\n",
      "2768\n",
      "('O', 2, 'epoxidation')\n",
      "2769\n",
      "('O', 2, 'epoxidation')\n",
      "2770\n",
      "('O', 2, 'epoxidation')\n",
      "2771\n",
      "('O', 2, 'epoxidation')\n",
      "2772\n",
      "('O', 1)\n",
      "2773\n",
      "('O', 1)\n",
      "2774\n",
      "('O', 1)\n",
      "2775\n",
      "('O', 1)\n",
      "2776\n",
      "('O', 1)\n",
      "2777\n",
      "('O', 1)\n",
      "2778\n",
      "('O', 1)\n",
      "2779\n",
      "('O', 1)\n",
      "2780\n",
      "('O', 1)\n",
      "2781\n",
      "('O', 1)\n",
      "2782\n",
      "('O', 1)\n",
      "2783\n",
      "('O', 1, 'O', 2)\n",
      "2784\n",
      "('O', 1)\n",
      "2785\n",
      "('O', 1)\n",
      "2786\n",
      "('O', 1)\n",
      "2787\n",
      "('O', 1)\n",
      "2788\n",
      "('O', 1)\n",
      "2789\n",
      "('O', 1)\n",
      "2790\n",
      "('O', 1)\n",
      "2791\n",
      "('O', 1)\n",
      "2792\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:36] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "double bond\n",
      "2793\n",
      "('O', 1)\n",
      "2794\n",
      "('O', 1)\n",
      "2795\n",
      "('O', 1, 'O', 2)\n",
      "2796\n",
      "('O', 1, 'O', 2)\n",
      "2797\n",
      "('O', 1, 'O', 2)\n",
      "2798\n",
      "('O', 1, 'O', 2)\n",
      "2802\n",
      "('O', 1)\n",
      "2803\n",
      "('O', 1)\n",
      "2805\n",
      "('O', 1)\n",
      "2806\n",
      "('O', 1)\n",
      "2807\n",
      "('O', 1)\n",
      "2810\n",
      "('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1)\n",
      "2811\n",
      "('O', 2, 'oxidation')\n",
      "2812\n",
      "('O', 1)\n",
      "2813\n",
      "('O', 1, 'O', 2)\n",
      "2814\n",
      "('O', 1)\n",
      "2816\n",
      "('O', 2, 'ring expansion')\n",
      "2817\n",
      "('O', 1)\n",
      "2818\n",
      "('O', 2, 'oxidation')\n",
      "2819\n",
      "('O', 1)\n",
      "2820\n",
      "double bond\n",
      "2821\n",
      "('O', 1)\n",
      "2822\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2823\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2824\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2825\n",
      "('O', 2, 'epoxidation')\n",
      "2826\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2827\n",
      "('O', 2, 'epoxidation')\n",
      "2828\n",
      "('O', 2, 'epoxidation')\n",
      "2829\n",
      "('O', 2, 'epoxidation')\n",
      "2830\n",
      "('O', 1)\n",
      "2831\n",
      "('O', 1)\n",
      "2832\n",
      "('O', 1)\n",
      "2833\n",
      "('O', 1)\n",
      "2834\n",
      "('O', 1)\n",
      "2835\n",
      "('O', 1)\n",
      "2836\n",
      "('O', 1, 'O', 2)\n",
      "2837\n",
      "('O', 1)\n",
      "2838\n",
      "('O', 1)\n",
      "2839\n",
      "('O', 1)\n",
      "2840\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:41] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2841\n",
      "('C', 1)\n",
      "2842\n",
      "('O', 1)\n",
      "2843\n",
      "('O', 1, 'O', 2)\n",
      "2844\n",
      "('O', 1, 'O', 2)\n",
      "2845\n",
      "('C', 3, 'O', 2)\n",
      "2846\n",
      "('O', 2, 'C', 3)\n",
      "2847\n",
      "('C', 3, 'O', 2)\n",
      "2848\n",
      "('O', 1, 'O', 2)\n",
      "2849\n",
      "('C', 1)\n",
      "2850\n",
      "('O', 1)\n",
      "2851\n",
      "('C', 1)\n",
      "2852\n",
      "('O', 1)\n",
      "2853\n",
      "('C', 1)\n",
      "2854\n",
      "('O', 1)\n",
      "2855\n",
      "('O', 1, 'O', 2)\n",
      "2856\n",
      "('O', 1, 'O', 2)\n",
      "2857\n",
      "('C', 3, 'O', 2)\n",
      "2858\n",
      "('O', 2, 'C', 3)\n",
      "2859\n",
      "('C', 3, 'O', 2)\n",
      "2860\n",
      "('O', 1, 'O', 2)\n",
      "2861\n",
      "('C', 1)\n",
      "2862\n",
      "('O', 1)\n",
      "2863\n",
      "('C', 1)\n",
      "2864\n",
      "('O', 1)\n",
      "2865\n",
      "('O', 1)\n",
      "2866\n",
      "('O', 1)\n",
      "2867\n",
      "('O', 1)\n",
      "2868\n",
      "('N', 3, 'C', 3, 'N', 2, 'C', 4, 'O', 2)\n",
      "2869\n",
      "('O', 1)\n",
      "2870\n",
      "ring\n",
      "2871\n",
      "('O', 1, 'O', 1)\n",
      "2875\n",
      "double bond\n",
      "2877\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:43] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:47:43] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "2878\n",
      "('O', 1, 'O', 2)\n",
      "2879\n",
      "('C', 3, 'O', 2)\n",
      "2880\n",
      "('O', 2, 'C', 3)\n",
      "2881\n",
      "('C', 3, 'O', 2)\n",
      "2882\n",
      "('O', 1, 'O', 2)\n",
      "2883\n",
      "('C', 1)\n",
      "2884\n",
      "('O', 1)\n",
      "2885\n",
      "('C', 1)\n",
      "2886\n",
      "('O', 1)\n",
      "2887\n",
      "('C', 1)\n",
      "2888\n",
      "('O', 1)\n",
      "2889\n",
      "('O', 1, 'O', 1)\n",
      "2890\n",
      "('O', 2, 'O', 1)\n",
      "2897\n",
      "('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1)\n",
      "2903\n",
      "('O', 2, 'oxidation')\n",
      "2904\n",
      "('O', 2, 'oxidation')\n",
      "2905\n",
      "('O', 1)\n",
      "2906\n",
      "('O', 1, 'O', 2)\n",
      "2907\n",
      "('O', 2, 'ring expansion')\n",
      "2909\n",
      "ring\n",
      "2910\n",
      "ring\n",
      "2911\n",
      "ring\n",
      "2912\n",
      "ring\n",
      "2936\n",
      "()\n",
      "2949\n",
      "('O', 2, 'oxidation')\n",
      "2951\n",
      "('O', 1)\n",
      "2952\n",
      "('O', 1)\n",
      "2953\n",
      "('O', 1, 'O', 2)\n",
      "2954\n",
      "('O', 1, 'O', 2)\n",
      "2964\n",
      "('O', 1)\n",
      "2965\n",
      "('O', 1)\n",
      "2966\n",
      "('O', 1)\n",
      "2968\n",
      "('C', 1)\n",
      "2972\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2973\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2974\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2975\n",
      "('O', 2, 'epoxidation')\n",
      "2976\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2977\n",
      "('O', 2, 'epoxidation')\n",
      "2978\n",
      "('O', 2, 'epoxidation')\n",
      "2979\n",
      "('O', 2, 'epoxidation')\n",
      "2980\n",
      "('O', 1)\n",
      "2981\n",
      "('O', 1)\n",
      "2982\n",
      "('O', 1)\n",
      "2983\n",
      "('O', 1)\n",
      "2984\n",
      "('O', 1)\n",
      "2985\n",
      "('O', 1)\n",
      "2986\n",
      "('O', 1, 'O', 2)\n",
      "2987\n",
      "('O', 1)\n",
      "2988\n",
      "('O', 1)\n",
      "2989\n",
      "('O', 1)\n",
      "2990\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "2991\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2992\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2993\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2994\n",
      "('O', 2, 'epoxidation')\n",
      "2995\n",
      "('O', 2, 'epoxidation')\n",
      "2996\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "2997\n",
      "('O', 2, 'epoxidation')\n",
      "2998\n",
      "('O', 1)\n",
      "2999\n",
      "('O', 2, 'epoxidation')\n",
      "3000\n",
      "('O', 2, 'epoxidation')\n",
      "3001\n",
      "('O', 2, 'epoxidation')\n",
      "3002\n",
      "('O', 2, 'epoxidation')\n",
      "3003\n",
      "('O', 1)\n",
      "3004\n",
      "('O', 1)\n",
      "3005\n",
      "('O', 1)\n",
      "3006\n",
      "('O', 1)\n",
      "3007\n",
      "('O', 1)\n",
      "3008\n",
      "('O', 1)\n",
      "3009\n",
      "('O', 1)\n",
      "3010\n",
      "('O', 1)\n",
      "3011\n",
      "('O', 1)\n",
      "3012\n",
      "('O', 1)\n",
      "3013\n",
      "('O', 1)\n",
      "3014\n",
      "('O', 1, 'O', 2)\n",
      "3015\n",
      "('O', 1)\n",
      "3016\n",
      "('O', 1)\n",
      "3017\n",
      "('O', 1)\n",
      "3018\n",
      "('O', 1)\n",
      "3019\n",
      "('O', 1)\n",
      "3020\n",
      "('O', 1)\n",
      "3025\n",
      "('C', 3, 'O', 2)\n",
      "3026\n",
      "('O', 1)\n",
      "3027\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:49] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "3028\n",
      "('O', 1, 'O', 2)\n",
      "3029\n",
      "('C', 3, 'O', 2, 'O', 2, 'O', 1)\n",
      "3030\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3031\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3032\n",
      "('O', 1)\n",
      "3033\n",
      "('O', 1)\n",
      "3034\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3035\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3036\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3037\n",
      "('O', 2, 'epoxidation')\n",
      "3038\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3039\n",
      "('O', 2, 'epoxidation')\n",
      "3040\n",
      "('O', 2, 'epoxidation')\n",
      "3041\n",
      "('O', 2, 'epoxidation')\n",
      "3042\n",
      "('O', 1)\n",
      "3043\n",
      "('O', 1)\n",
      "3044\n",
      "('O', 1)\n",
      "3045\n",
      "('O', 1)\n",
      "3046\n",
      "('O', 1)\n",
      "3047\n",
      "('O', 1)\n",
      "3048\n",
      "('O', 1, 'O', 2)\n",
      "3049\n",
      "('O', 1)\n",
      "3050\n",
      "('O', 1)\n",
      "3051\n",
      "('O', 1)\n",
      "3052\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:51] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:51] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:51] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:51] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:51] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:51] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3053\n",
      "('O', 1)\n",
      "3054\n",
      "('O', 1)\n",
      "3055\n",
      "('O', 1)\n",
      "3056\n",
      "('O', 1)\n",
      "3057\n",
      "('O', 1)\n",
      "3058\n",
      "('C', 1)\n",
      "3059\n",
      "('O', 1)\n",
      "3060\n",
      "('O', 1, 'O', 2)\n",
      "3061\n",
      "('O', 1, 'O', 2)\n",
      "3062\n",
      "('C', 3, 'O', 2)\n",
      "3063\n",
      "('O', 2, 'C', 3)\n",
      "3064\n",
      "('C', 3, 'O', 2)\n",
      "3065\n",
      "('O', 1, 'O', 2)\n",
      "3066\n",
      "('C', 1)\n",
      "3067\n",
      "('O', 1)\n",
      "3068\n",
      "('C', 1)\n",
      "3069\n",
      "('O', 1)\n",
      "3070\n",
      "('O', 1)\n",
      "3072\n",
      "('C', 1)\n",
      "3073\n",
      "('O', 1)\n",
      "3074\n",
      "('O', 1)\n",
      "3075\n",
      "('O', 1)\n",
      "3076\n",
      "('O', 1, 'O', 2)\n",
      "3077\n",
      "('O', 1)\n",
      "3078\n",
      "('O', 1, 'O', 2)\n",
      "3081\n",
      "('O', 1)\n",
      "3082\n",
      "('O', 1)\n",
      "3083\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:53] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:47:53] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3084\n",
      "('O', 1)\n",
      "3085\n",
      "('O', 1)\n",
      "3086\n",
      "('O', 1)\n",
      "3087\n",
      "('O', 1)\n",
      "3088\n",
      "('O', 1)\n",
      "3089\n",
      "('O', 1)\n",
      "3090\n",
      "('O', 1)\n",
      "3091\n",
      "('O', 1)\n",
      "3092\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3094\n",
      "()\n",
      "3095\n",
      "('O', 1)\n",
      "3096\n",
      "('O', 1)\n",
      "3097\n",
      "('O', 1)\n",
      "3098\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3099\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3100\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3101\n",
      "('O', 2, 'epoxidation')\n",
      "3102\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3103\n",
      "('O', 2, 'epoxidation')\n",
      "3104\n",
      "('O', 2, 'epoxidation')\n",
      "3105\n",
      "('O', 2, 'epoxidation')\n",
      "3106\n",
      "('O', 1)\n",
      "3107\n",
      "('O', 1)\n",
      "3108\n",
      "('O', 1)\n",
      "3109\n",
      "('O', 1)\n",
      "3110\n",
      "('O', 1)\n",
      "3111\n",
      "('O', 1)\n",
      "3112\n",
      "('O', 1, 'O', 2)\n",
      "3113\n",
      "('O', 1)\n",
      "3114\n",
      "('O', 1)\n",
      "3115\n",
      "('O', 1)\n",
      "3116\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3117\n",
      "('O', 1)\n",
      "3118\n",
      "('O', 1)\n",
      "3119\n",
      "('O', 1)\n",
      "3120\n",
      "('O', 1)\n",
      "3121\n",
      "('O', 1)\n",
      "3122\n",
      "('O', 1)\n",
      "3123\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "3124\n",
      "('O', 1)\n",
      "3125\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3126\n",
      "('O', 1)\n",
      "3127\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3128\n",
      "('O', 1)\n",
      "3129\n",
      "('O', 1)\n",
      "3130\n",
      "('O', 1)\n",
      "3131\n",
      "('O', 1)\n",
      "3132\n",
      "('O', 1)\n",
      "3133\n",
      "('O', 1)\n",
      "3134\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3135\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3136\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3137\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3138\n",
      "('O', 2, 'epoxidation')\n",
      "3139\n",
      "('O', 2, 'epoxidation')\n",
      "3140\n",
      "('O', 2, 'epoxidation')\n",
      "3141\n",
      "('O', 2, 'epoxidation')\n",
      "3142\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3143\n",
      "('O', 1)\n",
      "3144\n",
      "('O', 1)\n",
      "3145\n",
      "('O', 1, 'O', 2)\n",
      "3146\n",
      "('O', 1)\n",
      "3147\n",
      "('O', 1)\n",
      "3148\n",
      "('O', 1)\n",
      "3149\n",
      "('O', 1)\n",
      "3150\n",
      "('O', 1)\n",
      "3151\n",
      "('O', 1)\n",
      "3152\n",
      "('O', 1)\n",
      "3153\n",
      "('O', 1, 'O', 2)\n",
      "3154\n",
      "('O', 1)\n",
      "3155\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:54] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "3156\n",
      "('O', 1)\n",
      "3157\n",
      "('O', 1)\n",
      "3158\n",
      "('O', 1)\n",
      "3159\n",
      "('O', 1)\n",
      "3160\n",
      "('O', 1)\n",
      "3161\n",
      "('O', 1)\n",
      "3162\n",
      "('O', 1)\n",
      "3163\n",
      "('O', 1, 'O', 2)\n",
      "3164\n",
      "('O', 1)\n",
      "3165\n",
      "('O', 2, 'epoxidation')\n",
      "3166\n",
      "('O', 1)\n",
      "3167\n",
      "('O', 1)\n",
      "3168\n",
      "('O', 1)\n",
      "3169\n",
      "('O', 1)\n",
      "3170\n",
      "('O', 1)\n",
      "3171\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:55] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3172\n",
      "('O', 1)\n",
      "3173\n",
      "('O', 1)\n",
      "3174\n",
      "('O', 2, 'oxidation')\n",
      "3175\n",
      "('O', 1)\n",
      "3176\n",
      "('O', 2, 'oxidation')\n",
      "3177\n",
      "('O', 2, 'epoxidation')\n",
      "3178\n",
      "('O', 1)\n",
      "3179\n",
      "('O', 1)\n",
      "3180\n",
      "('O', 1)\n",
      "3181\n",
      "('O', 1)\n",
      "3182\n",
      "('C', 1)\n",
      "3183\n",
      "('O', 1)\n",
      "3184\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:56] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "3185\n",
      "('O', 1, 'O', 2)\n",
      "3186\n",
      "('C', 3, 'O', 2)\n",
      "3187\n",
      "('O', 2, 'C', 3)\n",
      "3188\n",
      "('C', 3, 'O', 2)\n",
      "3189\n",
      "('O', 1, 'O', 2)\n",
      "3190\n",
      "('C', 1)\n",
      "3191\n",
      "('O', 1)\n",
      "3192\n",
      "('C', 1)\n",
      "3193\n",
      "('O', 1)\n",
      "3194\n",
      "('O', 1)\n",
      "3195\n",
      "('O', 1, 'O', 2)\n",
      "3196\n",
      "('O', 1)\n",
      "3197\n",
      "('O', 1)\n",
      "3198\n",
      "('O', 1)\n",
      "3199\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3200\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3201\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3202\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3203\n",
      "('O', 2, 'epoxidation')\n",
      "3204\n",
      "('O', 2, 'epoxidation')\n",
      "3205\n",
      "('O', 2, 'epoxidation')\n",
      "3206\n",
      "('O', 2, 'epoxidation')\n",
      "3207\n",
      "('O', 2, 'epoxidation')\n",
      "3208\n",
      "('O', 1)\n",
      "3209\n",
      "('O', 1)\n",
      "3210\n",
      "('O', 1)\n",
      "3211\n",
      "('O', 1, 'O', 2)\n",
      "3212\n",
      "('O', 1)\n",
      "3213\n",
      "('O', 1)\n",
      "3214\n",
      "('O', 1)\n",
      "3215\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:47:57] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3216\n",
      "('O', 1)\n",
      "3217\n",
      "('O', 1)\n",
      "3218\n",
      "('O', 1)\n",
      "3220\n",
      "('C', 3, 'O', 2)\n",
      "3221\n",
      "('O', 1)\n",
      "3222\n",
      "('O', 1, 'O', 2)\n",
      "3223\n",
      "('O', 1, 'O', 2)\n",
      "3224\n",
      "('C', 3, 'O', 2, 'O', 2, 'O', 1)\n",
      "3225\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3226\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3227\n",
      "('O', 1)\n",
      "3228\n",
      "('O', 1)\n",
      "3229\n",
      "('O', 1)\n",
      "3231\n",
      "('O', 2, 'epoxidation')\n",
      "3233\n",
      "('O', 1)\n",
      "3234\n",
      "('O', 1)\n",
      "3235\n",
      "('O', 1)\n",
      "3238\n",
      "('O', 1)\n",
      "3239\n",
      "('O', 1)\n",
      "3240\n",
      "('O', 1)\n",
      "3241\n",
      "('O', 1)\n",
      "3242\n",
      "('O', 1)\n",
      "3243\n",
      "('O', 1)\n",
      "3244\n",
      "('O', 1)\n",
      "3245\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3246\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3247\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3248\n",
      "('O', 2, 'epoxidation')\n",
      "3249\n",
      "('O', 2, 'epoxidation')\n",
      "3250\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3251\n",
      "('O', 2, 'epoxidation')\n",
      "3252\n",
      "('O', 1)\n",
      "3253\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:00] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:00] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:00] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:00] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:00] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:00] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 2, 'epoxidation')\n",
      "3254\n",
      "('O', 2, 'epoxidation')\n",
      "3255\n",
      "('O', 2, 'epoxidation')\n",
      "3256\n",
      "('O', 2, 'epoxidation')\n",
      "3257\n",
      "('O', 1)\n",
      "3258\n",
      "('O', 1)\n",
      "3259\n",
      "('O', 1)\n",
      "3260\n",
      "('O', 1)\n",
      "3261\n",
      "('O', 1)\n",
      "3262\n",
      "('O', 1)\n",
      "3263\n",
      "('O', 1)\n",
      "3264\n",
      "('O', 1)\n",
      "3265\n",
      "('O', 1)\n",
      "3266\n",
      "('O', 1)\n",
      "3267\n",
      "('O', 1)\n",
      "3268\n",
      "('O', 1, 'O', 2)\n",
      "3269\n",
      "('O', 1)\n",
      "3270\n",
      "('O', 1)\n",
      "3271\n",
      "('O', 1)\n",
      "3272\n",
      "('O', 1)\n",
      "3273\n",
      "('O', 1)\n",
      "3274\n",
      "('O', 1)\n",
      "3276\n",
      "('O', 1)\n",
      "3277\n",
      "('O', 2, 'N', 4, 'C', 4, 'O', 1, 'N', 3, 'O', 1)\n",
      "3278\n",
      "('O', 2, 'N', 4, 'C', 4, 'O', 1, 'N', 3, 'O', 1)\n",
      "3279\n",
      "('O', 1)\n",
      "3280\n",
      "('O', 1)\n",
      "3281\n",
      "('O', 1)\n",
      "3282\n",
      "('O', 1)\n",
      "3283\n",
      "('O', 1)\n",
      "3284\n",
      "('O', 1)\n",
      "3285\n",
      "('C', 1)\n",
      "3287\n",
      "('O', 1)\n",
      "3288\n",
      "('O', 1)\n",
      "3293\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:01] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:01] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3294\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3295\n",
      "('C', 1, 'O', 1, 'C', 4, 'C', 1)\n",
      "3296\n",
      "('O', 2, 'epoxidation')\n",
      "3297\n",
      "('O', 1, 'O', 1)\n",
      "3298\n",
      "('O', 2, 'O', 1)\n",
      "3299\n",
      "('O', 1)\n",
      "3300\n",
      "('O', 1)\n",
      "3305\n",
      "('O', 1, 'O', 2)\n",
      "3306\n",
      "('O', 1)\n",
      "3307\n",
      "('O', 1)\n",
      "3308\n",
      "('O', 1, 'O', 2)\n",
      "3309\n",
      "('O', 1, 'O', 2)\n",
      "3310\n",
      "('O', 1)\n",
      "3311\n",
      "('O', 1)\n",
      "3312\n",
      "('O', 1)\n",
      "3313\n",
      "('O', 1)\n",
      "3314\n",
      "('O', 1)\n",
      "3315\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3316\n",
      "('O', 1)\n",
      "3317\n",
      "('O', 1)\n",
      "3318\n",
      "('O', 1)\n",
      "3319\n",
      "('O', 1)\n",
      "3320\n",
      "('O', 1)\n",
      "3321\n",
      "('O', 1)\n",
      "3323\n",
      "('O', 1)\n",
      "3325\n",
      "('O', 1)\n",
      "3326\n",
      "('O', 1)\n",
      "3329\n",
      "('N', 3, 'O', 1, 'O', 1, 'N', 3)\n",
      "3330\n",
      "('N', 3, 'O', 1, 'O', 1, 'N', 3)\n",
      "3331\n",
      "('O', 1)\n",
      "3332\n",
      "('C', 3, 'O', 2)\n",
      "3333\n",
      "('O', 1)\n",
      "3334\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:03] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "3335\n",
      "('O', 1, 'O', 2)\n",
      "3336\n",
      "('C', 3, 'O', 2, 'O', 2, 'O', 1)\n",
      "3337\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3338\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3339\n",
      "('O', 1)\n",
      "3340\n",
      "('O', 1)\n",
      "3341\n",
      "('O', 1)\n",
      "3342\n",
      "('O', 1)\n",
      "3343\n",
      "('O', 1)\n",
      "3344\n",
      "('O', 1, 'O', 2)\n",
      "3345\n",
      "('O', 1)\n",
      "3347\n",
      "('O', 1)\n",
      "3348\n",
      "('O', 1)\n",
      "3349\n",
      "('O', 1)\n",
      "3351\n",
      "('O', 1)\n",
      "3352\n",
      "('O', 1)\n",
      "3353\n",
      "('O', 1)\n",
      "3354\n",
      "('O', 1)\n",
      "3355\n",
      "('O', 1)\n",
      "3356\n",
      "('O', 1, 'O', 2)\n",
      "3357\n",
      "('O', 1, 'O', 2)\n",
      "3358\n",
      "('O', 1, 'O', 2)\n",
      "3359\n",
      "('C', 3, 'O', 2)\n",
      "3360\n",
      "('O', 2, 'C', 3)\n",
      "3361\n",
      "('C', 3, 'O', 2)\n",
      "3362\n",
      "('O', 1, 'O', 2)\n",
      "3363\n",
      "('C', 1)\n",
      "3364\n",
      "('O', 1)\n",
      "3365\n",
      "('C', 1)\n",
      "3366\n",
      "('O', 1)\n",
      "3367\n",
      "('C', 1)\n",
      "3368\n",
      "('O', 1)\n",
      "3369\n",
      "('O', 1)\n",
      "3370\n",
      "('O', 1)\n",
      "3376\n",
      "('O', 1)\n",
      "3377\n",
      "('O', 1)\n",
      "3379\n",
      "('O', 1)\n",
      "3380\n",
      "('O', 1)\n",
      "3381\n",
      "('O', 1)\n",
      "3382\n",
      "('C', 1)\n",
      "3383\n",
      "('O', 1)\n",
      "3384\n",
      "('O', 1)\n",
      "3385\n",
      "('O', 1)\n",
      "3386\n",
      "('N', 3, 'C', 3, 'N', 2, 'C', 4, 'O', 2)\n",
      "3387\n",
      "('O', 1)\n",
      "3388\n",
      "('O', 1)\n",
      "3389\n",
      "('O', 1)\n",
      "3390\n",
      "central iron atom reduction\n",
      "3391\n",
      "('O', 1)\n",
      "3392\n",
      "('O', 2, 'oxidation')\n",
      "3394\n",
      "('O', 1)\n",
      "3395\n",
      "('O', 1)\n",
      "3397\n",
      "('O', 2, 'epoxidation')\n",
      "3398\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:07] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:07] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:07] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3399\n",
      "('O', 1)\n",
      "3400\n",
      "('O', 1)\n",
      "3401\n",
      "('O', 1)\n",
      "3402\n",
      "('O', 1)\n",
      "3403\n",
      "('O', 1)\n",
      "3404\n",
      "('O', 1)\n",
      "3405\n",
      "('O', 1)\n",
      "3406\n",
      "('O', 1)\n",
      "3407\n",
      "('O', 1)\n",
      "3410\n",
      "('O', 1)\n",
      "3412\n",
      "('O', 1)\n",
      "3413\n",
      "('O', 2, 'oxidation')\n",
      "3414\n",
      "('O', 1)\n",
      "3415\n",
      "('O', 1, 'O', 2)\n",
      "3416\n",
      "('O', 2, 'oxidation')\n",
      "3417\n",
      "('O', 1)\n",
      "3418\n",
      "('O', 2, 'oxidation')\n",
      "3419\n",
      "('O', 1)\n",
      "3420\n",
      "('O', 1, 'O', 2)\n",
      "3421\n",
      "('O', 1, 'O', 2)\n",
      "3422\n",
      "('O', 1)\n",
      "3423\n",
      "('O', 2, 'O', 2)\n",
      "3424\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "3425\n",
      "('O', 1)\n",
      "3426\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3427\n",
      "('O', 1)\n",
      "3428\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3429\n",
      "('O', 1)\n",
      "3430\n",
      "('O', 1)\n",
      "3431\n",
      "('O', 1)\n",
      "3432\n",
      "('O', 1)\n",
      "3433\n",
      "('O', 1)\n",
      "3434\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "3435\n",
      "('O', 1)\n",
      "3436\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3437\n",
      "('O', 1)\n",
      "3438\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3439\n",
      "('O', 1)\n",
      "3440\n",
      "('O', 1)\n",
      "3441\n",
      "('O', 1)\n",
      "3442\n",
      "('O', 1)\n",
      "3443\n",
      "('O', 1)\n",
      "3444\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "3445\n",
      "('O', 1)\n",
      "3446\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3447\n",
      "('O', 1)\n",
      "3448\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3449\n",
      "('O', 1)\n",
      "3450\n",
      "('O', 1)\n",
      "3451\n",
      "('O', 1)\n",
      "3452\n",
      "('O', 1)\n",
      "3453\n",
      "('O', 1)\n",
      "3454\n",
      "double bond\n",
      "3455\n",
      "('O', 1)\n",
      "3457\n",
      "('C', 1)\n",
      "3458\n",
      "('O', 1)\n",
      "3459\n",
      "('O', 1, 'O', 2)\n",
      "3460\n",
      "('O', 1, 'O', 2)\n",
      "3461\n",
      "('C', 3, 'O', 2)\n",
      "3462\n",
      "('O', 2, 'C', 3)\n",
      "3463\n",
      "('C', 3, 'O', 2)\n",
      "3464\n",
      "('O', 1, 'O', 2)\n",
      "3465\n",
      "('C', 1)\n",
      "3466\n",
      "('O', 1)\n",
      "3467\n",
      "('C', 1)\n",
      "3468\n",
      "('O', 1)\n",
      "3469\n",
      "('O', 2, 'epoxidation')\n",
      "3472\n",
      "('O', 1)\n",
      "3473\n",
      "('O', 2, 'epoxidation')\n",
      "3478\n",
      "('O', 1)\n",
      "3479\n",
      "('O', 1)\n",
      "3480\n",
      "('O', 2, 'epoxidation')\n",
      "3481\n",
      "('O', 2, 'epoxidation')\n",
      "3482\n",
      "('O', 1)\n",
      "3483\n",
      "('O', 1)\n",
      "3484\n",
      "('O', 1)\n",
      "3485\n",
      "('C', 1, 'C', 1, 'O', 2, 'C', 4, 'N', 3, 'C', 4, 'N', 2, 'C', 4, 'C', 4, 'N', 3, 'N', 3, 'C', 2, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 2, 'O', 1, 'O', 1, 'O', 1, 'O', 1, 'O', 1, 'O', 2, 'O', 2)\n",
      "3486\n",
      "('O', 1)\n",
      "3487\n",
      "('O', 1)\n",
      "3488\n",
      "('O', 1)\n",
      "3489\n",
      "('O', 1)\n",
      "3490\n",
      "('O', 1)\n",
      "3491\n",
      "('O', 1)\n",
      "3492\n",
      "('O', 1)\n",
      "3493\n",
      "('O', 1)\n",
      "3494\n",
      "('O', 2, 'epoxidation')\n",
      "3495\n",
      "('O', 2, 'epoxidation')\n",
      "3496\n",
      "('O', 1)\n",
      "3497\n",
      "('O', 1)\n",
      "3498\n",
      "('O', 1)\n",
      "3499\n",
      "('O', 1)\n",
      "3500\n",
      "('O', 1, 'O', 2)\n",
      "3501\n",
      "('O', 1)\n",
      "3502\n",
      "('O', 1)\n",
      "3503\n",
      "('O', 1)\n",
      "3504\n",
      "('O', 1)\n",
      "3505\n",
      "('O', 1)\n",
      "3506\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:12] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:12] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:12] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:12] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "3507\n",
      "('O', 1)\n",
      "3508\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3509\n",
      "('O', 1)\n",
      "3510\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3511\n",
      "('O', 1)\n",
      "3512\n",
      "('O', 1)\n",
      "3513\n",
      "('O', 1)\n",
      "3514\n",
      "('O', 1)\n",
      "3515\n",
      "('O', 1)\n",
      "3516\n",
      "('O', 1)\n",
      "3517\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "3518\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:12] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3519\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3520\n",
      "('O', 1)\n",
      "3521\n",
      "('O', 1)\n",
      "3522\n",
      "('O', 1)\n",
      "3523\n",
      "('O', 1)\n",
      "3524\n",
      "('O', 1)\n",
      "3525\n",
      "('O', 1)\n",
      "3526\n",
      "('O', 1)\n",
      "3527\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:14] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3528\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3529\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3530\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3531\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3532\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3533\n",
      "('O', 1)\n",
      "3534\n",
      "('O', 1)\n",
      "3535\n",
      "('O', 1)\n",
      "3536\n",
      "('O', 1)\n",
      "3537\n",
      "('O', 1)\n",
      "3538\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:17] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "3539\n",
      "('O', 1, 'O', 2)\n",
      "3540\n",
      "('O', 1)\n",
      "3543\n",
      "('O', 1, 'O', 2)\n",
      "3544\n",
      "('O', 2, 'oxidation')\n",
      "3545\n",
      "('O', 1)\n",
      "3546\n",
      "('O', 2, 'oxidation')\n",
      "3547\n",
      "('O', 1)\n",
      "3548\n",
      "('O', 1, 'O', 2)\n",
      "3549\n",
      "('O', 1, 'O', 2)\n",
      "3550\n",
      "('O', 2, 'oxidation')\n",
      "3551\n",
      "('O', 1)\n",
      "3552\n",
      "('O', 2, 'oxidation')\n",
      "3553\n",
      "('O', 1)\n",
      "3554\n",
      "('O', 2, 'oxidation')\n",
      "3555\n",
      "('O', 1)\n",
      "3556\n",
      "('O', 2, 'oxidation')\n",
      "3557\n",
      "('O', 1)\n",
      "3558\n",
      "('O', 2, 'oxidation')\n",
      "3559\n",
      "('O', 1)\n",
      "3560\n",
      "('O', 2, 'oxidation')\n",
      "3561\n",
      "('O', 1)\n",
      "3562\n",
      "('O', 1, 'O', 2)\n",
      "3563\n",
      "('O', 1, 'O', 2)\n",
      "3564\n",
      "('O', 1, 'O', 2)\n",
      "3565\n",
      "('O', 1, 'O', 2)\n",
      "3566\n",
      "('O', 1, 'O', 2)\n",
      "3567\n",
      "('O', 1, 'O', 2)\n",
      "3568\n",
      "('O', 2, 'ring expansion')\n",
      "3569\n",
      "('O', 2, 'ring expansion')\n",
      "3570\n",
      "('O', 2, 'ring expansion')\n",
      "3571\n",
      "('C', 4, 'C', 1, 'C', 1, 'O', 2, 'O', 2, 'C', 4, 'C', 1, 'C', 3)\n",
      "3572\n",
      "ring\n",
      "3573\n",
      "('O', 1)\n",
      "3574\n",
      "Hit atoms still zero after using MCS!\n",
      "Hit atoms still zero after using MCS!\n",
      "()\n",
      "3575\n",
      "('O', 2, 'C', 4, 'O', 1, 'N', 4, 'O', 1, 'N', 3)\n",
      "3576\n",
      "('O', 2, 'C', 4, 'O', 1, 'N', 4, 'N', 3, 'O', 1)\n",
      "3577\n",
      "('O', 1, 'O', 1)\n",
      "3578\n",
      "('O', 1)\n",
      "3579\n",
      "('O', 1)\n",
      "3580\n",
      "('O', 1)\n",
      "3581\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:25] WARNING: not removing hydrogen atom without neighbors\n",
      "[14:48:25] WARNING: not removing hydrogen atom without neighbors\n",
      "[14:48:25] WARNING: not removing hydrogen atom without neighbors\n",
      "[14:48:25] WARNING: not removing hydrogen atom without neighbors\n",
      "[14:48:25] WARNING: not removing hydrogen atom without neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "3582\n",
      "('O', 1)\n",
      "3583\n",
      "('O', 1)\n",
      "3585\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "3586\n",
      "('O', 1)\n",
      "3587\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3588\n",
      "('O', 1)\n",
      "3589\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3590\n",
      "('O', 1)\n",
      "3591\n",
      "('O', 1)\n",
      "3592\n",
      "('O', 1)\n",
      "3593\n",
      "('O', 1)\n",
      "3594\n",
      "('O', 1)\n",
      "3595\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:26] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3596\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3597\n",
      "('O', 1)\n",
      "3598\n",
      "('O', 1, 'O', 1)\n",
      "3599\n",
      "('O', 1)\n",
      "3603\n",
      "('O', 1)\n",
      "3606\n",
      "('O', 1, 'O', 1)\n",
      "3607\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3608\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3609\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3610\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3611\n",
      "('O', 1)\n",
      "3612\n",
      "('O', 2, 'epoxidation')\n",
      "3613\n",
      "('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "3614\n",
      "ring\n",
      "3616\n",
      "('O', 1)\n",
      "3617\n",
      "('O', 1)\n",
      "3618\n",
      "('O', 1)\n",
      "3619\n",
      "('O', 1)\n",
      "3621\n",
      "('O', 1)\n",
      "3622\n",
      "('O', 1, 'O', 2)\n",
      "3623\n",
      "('O', 1)\n",
      "3627\n",
      "('O', 1, 'O', 2)\n",
      "3628\n",
      "('O', 1)\n",
      "3631\n",
      "('O', 1)\n",
      "3632\n",
      "('O', 1)\n",
      "3633\n",
      "('O', 1)\n",
      "3634\n",
      "('O', 1)\n",
      "3635\n",
      "('N', 3, 'C', 3, 'N', 2, 'C', 4, 'O', 2)\n",
      "3636\n",
      "('O', 1)\n",
      "3637\n",
      "('O', 1)\n",
      "3638\n",
      "('O', 1)\n",
      "3639\n",
      "('O', 1)\n",
      "3640\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:28] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:28] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:28] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1, 'O', 2)\n",
      "3641\n",
      "('O', 1)\n",
      "3642\n",
      "('O', 1, 'O', 2)\n",
      "3643\n",
      "('O', 1, 'O', 2)\n",
      "3644\n",
      "('O', 1, 'O', 2)\n",
      "3645\n",
      "('O', 1)\n",
      "3646\n",
      "('O', 1)\n",
      "3647\n",
      "('O', 1, 'O', 2)\n",
      "3648\n",
      "('O', 1)\n",
      "3649\n",
      "('O', 1)\n",
      "3650\n",
      "('O', 1)\n",
      "3651\n",
      "('O', 1)\n",
      "3652\n",
      "('O', 1)\n",
      "3653\n",
      "('O', 1)\n",
      "3654\n",
      "('O', 1)\n",
      "3655\n",
      "('O', 1)\n",
      "3656\n",
      "('O', 1)\n",
      "3657\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3658\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3659\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3660\n",
      "('O', 2, 'O', 1, 'O', 2)\n",
      "3661\n",
      "('O', 1)\n",
      "3662\n",
      "('O', 2, 'epoxidation')\n",
      "3663\n",
      "('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2)\n",
      "3664\n",
      "ring\n",
      "3665\n",
      "('O', 1)\n",
      "3666\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "3667\n",
      "('O', 1)\n",
      "3668\n",
      "('O', 1)\n",
      "3669\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "3670\n",
      "('C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 1, 'C', 3, 'C', 4, 'O', 1, 'C', 4, 'C', 4, 'O', 2)\n",
      "3671\n",
      "('C', 4, 'C', 4, 'O', 1, 'C', 3, 'C', 4, 'O', 1, 'C', 4, 'C', 4, 'O', 2, 'C', 3, 'C', 4, 'O', 1, 'C', 4, 'O', 2, 'C', 4)\n",
      "3672\n",
      "('O', 1)\n",
      "3673\n",
      "('O', 1)\n",
      "3674\n",
      "('O', 1)\n",
      "3678\n",
      "('O', 1)\n",
      "3681\n",
      "('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1)\n",
      "3682\n",
      "('O', 2, 'oxidation')\n",
      "3683\n",
      "('O', 1)\n",
      "3684\n",
      "('O', 1, 'O', 2)\n",
      "3685\n",
      "('O', 2, 'oxidation')\n",
      "3686\n",
      "('O', 1)\n",
      "3687\n",
      "('O', 2, 'oxidation')\n",
      "3688\n",
      "('O', 1)\n",
      "3689\n",
      "('O', 2, 'oxidation')\n",
      "3690\n",
      "('O', 1)\n",
      "3691\n",
      "('O', 1, 'O', 2)\n",
      "3692\n",
      "('O', 1, 'O', 2)\n",
      "3693\n",
      "('O', 1, 'O', 2)\n",
      "3694\n",
      "('O', 1)\n",
      "3696\n",
      "('O', 1)\n",
      "3697\n",
      "Hit atoms still zero after using MCS!\n",
      "Hit atoms still zero after using MCS!\n",
      "()\n",
      "3698\n",
      "('O', 2, 'C', 4, 'O', 1, 'N', 4, 'N', 3, 'O', 1)\n",
      "3699\n",
      "('O', 2, 'C', 4, 'O', 1, 'N', 4, 'N', 3, 'O', 1)\n",
      "3701\n",
      "('O', 1)\n",
      "3702\n",
      "('O', 1)\n",
      "3703\n",
      "('O', 1)\n",
      "3704\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3705\n",
      "('O', 1)\n",
      "3706\n",
      "('O', 1)\n",
      "3707\n",
      "('O', 1)\n",
      "3708\n",
      "('O', 1)\n",
      "3709\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "3710\n",
      "('O', 1)\n",
      "3711\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3712\n",
      "('O', 1)\n",
      "3713\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3714\n",
      "('O', 1)\n",
      "3715\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:34] WARNING: not removing hydrogen atom without neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom without neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom without neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom without neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom without neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3716\n",
      "('O', 1)\n",
      "3717\n",
      "('O', 1)\n",
      "3718\n",
      "('O', 1)\n",
      "3719\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "3720\n",
      "('O', 1)\n",
      "3721\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3722\n",
      "('O', 1)\n",
      "3723\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3724\n",
      "('O', 1)\n",
      "3725\n",
      "('O', 1)\n",
      "3726\n",
      "('O', 1)\n",
      "3727\n",
      "('O', 1)\n",
      "3728\n",
      "('O', 1)\n",
      "3730\n",
      "('O', 1)\n",
      "3731\n",
      "('O', 1)\n",
      "3732\n",
      "('O', 1)\n",
      "3733\n",
      "('O', 1)\n",
      "3734\n",
      "('O', 1)\n",
      "3735\n",
      "('O', 1)\n",
      "3736\n",
      "('O', 1)\n",
      "3737\n",
      "('O', 1)\n",
      "3738\n",
      "('O', 1)\n",
      "3739\n",
      "('O', 1)\n",
      "3740\n",
      "('O', 1)\n",
      "3741\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:34] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "attempt to add self-bond\n",
      "Violation occurred on line 440 in file C:\\rdkit\\build\\temp.win-amd64-cpython-311\\Release\\rdkit\\Code\\GraphMol\\ROMol.cpp\n",
      "Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()\n",
      "****\n",
      "\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3742\n",
      "('O', 1)\n",
      "3743\n",
      "('O', 2, 'epoxidation')\n",
      "3744\n",
      "('O', 2, 'epoxidation')\n",
      "3745\n",
      "('O', 2, 'epoxidation')\n",
      "3746\n",
      "('O', 2, 'epoxidation')\n",
      "3747\n",
      "('O', 1)\n",
      "3748\n",
      "('O', 2, 'epoxidation')\n",
      "3749\n",
      "('O', 2, 'epoxidation')\n",
      "3750\n",
      "('O', 2, 'epoxidation')\n",
      "3751\n",
      "('O', 2, 'epoxidation')\n",
      "3752\n",
      "('O', 1)\n",
      "3753\n",
      "('O', 1)\n",
      "3754\n",
      "central iron atom reduction\n",
      "3755\n",
      "('O', 1)\n",
      "3756\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:34] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3757\n",
      "('O', 1)\n",
      "3758\n",
      "('O', 1)\n",
      "3759\n",
      "('O', 2, 'oxidation')\n",
      "3760\n",
      "('C', 1, 'C', 4, 'C', 1, 'C', 3, 'C', 2, 'C', 2, 'C', 4, 'C', 1, 'C', 3, 'C', 2, 'C', 2, 'C', 4, 'C', 1, 'C', 3, 'C', 2)\n",
      "3761\n",
      "('O', 1, 'O', 2)\n",
      "3762\n",
      "('O', 1, 'O', 2)\n",
      "3763\n",
      "('O', 2, 'epoxidation')\n",
      "3764\n",
      "('O', 2, 'epoxidation')\n",
      "3765\n",
      "('C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 1, 'C', 3, 'C', 4, 'O', 1, 'C', 4, 'C', 4, 'O', 2)\n",
      "3766\n",
      "('C', 4, 'C', 4, 'O', 1, 'C', 3, 'C', 4, 'O', 1, 'C', 4, 'C', 4, 'O', 2, 'C', 3, 'C', 4, 'O', 1, 'C', 4, 'O', 2, 'C', 4)\n",
      "3774\n",
      "('O', 1)\n",
      "3777\n",
      "('O', 1)\n",
      "3778\n",
      "('O', 1)\n",
      "3780\n",
      "('O', 1)\n",
      "3781\n",
      "('C', 2, 'C', 4, 'C', 1, 'O', 1, 'C', 3, 'C', 2, 'C', 2)\n",
      "3782\n",
      "('C', 3, 'C', 2, 'C', 2, 'C', 1, 'O', 1)\n",
      "3800\n",
      "('O', 1, 'C', 4, 'O', 2)\n",
      "3801\n",
      "('C', 4, 'N', 3, 'C', 4, 'O', 1, 'O', 2)\n",
      "3802\n",
      "('C', 4, 'N', 3)\n",
      "3805\n",
      "('O', 1)\n",
      "3806\n",
      "('O', 1)\n",
      "3807\n",
      "('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1)\n",
      "3808\n",
      "('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1)\n",
      "3809\n",
      "('O', 1)\n",
      "3810\n",
      "('O', 1)\n",
      "3811\n",
      "('O', 1)\n",
      "3812\n",
      "('O', 1)\n",
      "3813\n",
      "('O', 1)\n",
      "3814\n",
      "('O', 1)\n",
      "3815\n",
      "('O', 1)\n",
      "3816\n",
      "('C', 4, 'O', 2, 'C', 1, 'O', 1, 'O', 2)\n",
      "3817\n",
      "('O', 1)\n",
      "3818\n",
      "('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2)\n",
      "3819\n",
      "('O', 1)\n",
      "3820\n",
      "('O', 1, 'C', 4, 'C', 1, 'O', 2, 'O', 2)\n",
      "3821\n",
      "('O', 1)\n",
      "3822\n",
      "('O', 1)\n",
      "3823\n",
      "('O', 1)\n",
      "3824\n",
      "('O', 1)\n",
      "3825\n",
      "('O', 1)\n",
      "3827\n",
      "('O', 1)\n",
      "3828\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3831\n",
      "('O', 1)\n",
      "3832\n",
      "('O', 1)\n",
      "3833\n",
      "('O', 1)\n",
      "3834\n",
      "('O', 1)\n",
      "3836\n",
      "('O', 1)\n",
      "3837\n",
      "('O', 1)\n",
      "3838\n",
      "('O', 1)\n",
      "3839\n",
      "('O', 1)\n",
      "3842\n",
      "('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "3843\n",
      "('O', 1)\n",
      "3844\n",
      "('O', 1)\n",
      "3845\n",
      "('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2)\n",
      "3846\n",
      "('C', 1)\n",
      "3850\n",
      "('O', 1)\n",
      "3852\n",
      "('O', 1)\n",
      "3855\n",
      "('O', 1)\n",
      "3856\n",
      "('O', 1)\n",
      "3857\n",
      "('O', 1)\n",
      "3858\n",
      "('O', 1)\n",
      "3859\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:35] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('C', 4, 'C', 1, 'N', 3, 'C', 1, 'N', 2)\n",
      "3866\n",
      "('O', 1)\n",
      "3867\n",
      "('O', 1)\n",
      "3868\n",
      "('O', 1)\n",
      "3869\n",
      "('O', 1)\n",
      "3870\n",
      "('O', 1)\n",
      "3871\n",
      "('O', 1)\n",
      "3876\n",
      "('O', 1)\n",
      "3877\n",
      "('O', 1)\n",
      "3878\n",
      "('O', 1)\n",
      "3879\n",
      "('O', 1, 'O', 1)\n",
      "3880\n",
      "('O', 2, 'O', 1)\n",
      "3881\n",
      "('O', 1, 'O', 2)\n",
      "3882\n",
      "('O', 1, 'O', 2)\n",
      "3883\n",
      "('C', 3, 'O', 2)\n",
      "3884\n",
      "('O', 2, 'C', 3)\n",
      "3885\n",
      "('C', 3, 'O', 2)\n",
      "3886\n",
      "('O', 1, 'O', 2)\n",
      "3887\n",
      "('C', 1)\n",
      "3888\n",
      "('O', 1)\n",
      "3889\n",
      "('C', 1)\n",
      "3890\n",
      "('O', 1)\n",
      "3891\n",
      "('C', 1)\n",
      "3892\n",
      "('O', 1)\n",
      "3893\n",
      "double bond\n",
      "3935\n",
      "('O', 1)\n",
      "3952\n",
      "('O', 1)\n",
      "3966\n",
      "('O', 1)\n",
      "3967\n",
      "('O', 1)\n",
      "3968\n",
      "('O', 1)\n",
      "3969\n",
      "('O', 1)\n",
      "3970\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:37] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "3971\n",
      "('O', 1)\n",
      "3972\n",
      "('O', 1)\n",
      "3973\n",
      "('O', 2, 'epoxidation')\n",
      "3974\n",
      "('O', 1)\n",
      "3975\n",
      "('O', 1)\n",
      "3976\n",
      "('O', 1)\n",
      "3977\n",
      "('O', 1)\n",
      "3978\n",
      "('O', 1)\n",
      "3979\n",
      "('O', 1)\n",
      "3980\n",
      "('O', 1)\n",
      "3981\n",
      "('O', 2, 'O', 2)\n",
      "3982\n",
      "('O', 1)\n",
      "3983\n",
      "('O', 1)\n",
      "3984\n",
      "('O', 1)\n",
      "3985\n",
      "('O', 1)\n",
      "3986\n",
      "('O', 1)\n",
      "3987\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3988\n",
      "('C', 1, 'O', 2, 'O', 1)\n",
      "3989\n",
      "('O', 1)\n",
      "3990\n",
      "('O', 1)\n",
      "3991\n",
      "('O', 1)\n",
      "3992\n",
      "('O', 1)\n",
      "3993\n",
      "('O', 1)\n",
      "3994\n",
      "('O', 1)\n",
      "3995\n",
      "('O', 2, 'epoxidation')\n",
      "3996\n",
      "('O', 1)\n",
      "3997\n",
      "('O', 1)\n",
      "3998\n",
      "('O', 1)\n",
      "3999\n",
      "('O', 1)\n",
      "4000\n",
      "('O', 1)\n",
      "4001\n",
      "('O', 1)\n",
      "4002\n",
      "('O', 1)\n",
      "4005\n",
      "double bond\n",
      "4006\n",
      "('O', 1)\n",
      "4007\n",
      "('O', 1)\n",
      "4008\n",
      "('O', 1)\n",
      "4009\n",
      "central iron atom reduction\n",
      "4010\n",
      "('O', 1)\n",
      "4011\n",
      "('O', 1)\n",
      "4012\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n",
      "[14:48:46] WARNING: not removing hydrogen atom with dummy atom neighbors\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('O', 1)\n",
      "4013\n",
      "('O', 1, 'O', 2)\n",
      "4014\n",
      "('O', 1, 'O', 2)\n",
      "4016\n",
      "('O', 1)\n",
      "4020\n",
      "('O', 2, 'oxidation')\n",
      "4021\n",
      "double bond\n",
      "4022\n",
      "double bond\n",
      "4023\n",
      "('O', 1)\n",
      "4024\n",
      "('O', 1)\n",
      "4025\n",
      "('O', 1)\n",
      "4031\n",
      "('O', 1, 'O', 2)\n",
      "4037\n",
      "('O', 1)\n",
      "4044\n",
      "('O', 1)\n",
      "4045\n",
      "('O', 1, 'C', 1, 'O', 2, 'C', 2)\n",
      "4046\n",
      "('O', 1)\n",
      "4047\n",
      "('O', 1)\n",
      "4049\n",
      "('O', 1)\n",
      "4055\n",
      "('O', 1)\n",
      "4056\n",
      "('O', 1)\n",
      "4061\n",
      "ring\n",
      "4062\n",
      "ring\n",
      "4063\n",
      "('O', 1, 'O', 2)\n",
      "4071\n",
      "('O', 2, 'epoxidation')\n",
      "4072\n",
      "('O', 1)\n",
      "4073\n",
      "('O', 1)\n",
      "4074\n",
      "ring\n",
      "4075\n",
      "('O', 2, 'O', 1)\n",
      "{'double bond': [1, 25, 137, 237, 333, 585, 657, 738, 760, 902, 903, 1354, 1355, 1387, 1961, 2293, 2478, 2587, 2792, 2820, 2875, 3454, 3893, 4005, 4021, 4022], ('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1): [7, 12, 984, 2810, 2897, 3277, 3278, 3575, 3576, 3681, 3698, 3699, 3807, 3808], ('N', 3, 'O', 1, 'O', 1, 'N', 3): [8, 879, 3329, 3330], ('O', 1): [9, 13, 14, 20, 27, 28, 30, 31, 32, 35, 36, 38, 39, 59, 62, 65, 66, 71, 72, 82, 83, 84, 100, 101, 102, 103, 104, 105, 121, 138, 139, 143, 144, 147, 149, 170, 171, 177, 178, 180, 190, 195, 196, 203, 204, 205, 211, 212, 216, 217, 218, 219, 220, 221, 223, 226, 227, 228, 239, 240, 251, 252, 253, 254, 260, 263, 269, 277, 278, 287, 288, 291, 299, 300, 301, 302, 303, 304, 305, 306, 311, 313, 314, 315, 316, 317, 319, 336, 349, 350, 353, 354, 358, 359, 361, 364, 373, 374, 375, 376, 387, 389, 391, 400, 402, 404, 422, 424, 426, 429, 430, 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 451, 467, 468, 470, 476, 478, 491, 494, 513, 514, 515, 523, 525, 527, 530, 531, 533, 570, 574, 575, 576, 578, 589, 590, 602, 603, 609, 611, 612, 613, 625, 628, 630, 632, 636, 637, 638, 639, 640, 641, 642, 652, 654, 656, 665, 667, 669, 677, 678, 679, 680, 681, 682, 684, 685, 688, 690, 691, 692, 700, 703, 706, 721, 724, 725, 726, 727, 728, 729, 730, 731, 741, 742, 745, 746, 747, 751, 753, 756, 768, 770, 772, 773, 774, 775, 776, 781, 782, 783, 784, 785, 786, 787, 788, 789, 790, 794, 797, 798, 799, 800, 801, 802, 806, 810, 811, 812, 813, 814, 815, 818, 819, 822, 823, 824, 825, 826, 827, 828, 834, 842, 844, 845, 846, 847, 849, 853, 859, 860, 862, 863, 865, 866, 867, 868, 869, 870, 882, 883, 887, 888, 889, 890, 891, 892, 895, 896, 897, 905, 906, 907, 908, 909, 910, 911, 912, 913, 914, 915, 926, 931, 932, 933, 934, 935, 936, 937, 938, 939, 940, 941, 950, 951, 952, 953, 954, 955, 957, 958, 959, 960, 969, 970, 971, 972, 973, 974, 976, 977, 978, 979, 980, 981, 985, 991, 992, 994, 995, 997, 998, 999, 1000, 1001, 1002, 1003, 1004, 1005, 1006, 1007, 1008, 1009, 1010, 1011, 1012, 1014, 1015, 1016, 1017, 1018, 1019, 1020, 1028, 1033, 1034, 1035, 1036, 1037, 1038, 1039, 1040, 1041, 1042, 1043, 1045, 1046, 1047, 1048, 1049, 1050, 1058, 1063, 1064, 1065, 1066, 1067, 1068, 1069, 1070, 1071, 1072, 1073, 1075, 1076, 1077, 1078, 1079, 1080, 1089, 1090, 1091, 1092, 1093, 1094, 1096, 1097, 1098, 1099, 1108, 1109, 1110, 1111, 1112, 1113, 1115, 1116, 1117, 1118, 1120, 1121, 1123, 1124, 1125, 1126, 1127, 1135, 1140, 1141, 1142, 1143, 1144, 1145, 1146, 1147, 1148, 1149, 1150, 1152, 1153, 1154, 1155, 1156, 1157, 1166, 1167, 1168, 1169, 1170, 1171, 1173, 1174, 1175, 1176, 1177, 1179, 1181, 1183, 1184, 1185, 1186, 1187, 1189, 1190, 1199, 1204, 1205, 1206, 1207, 1208, 1209, 1210, 1211, 1212, 1213, 1214, 1216, 1217, 1218, 1219, 1220, 1221, 1230, 1231, 1232, 1233, 1234, 1235, 1237, 1238, 1239, 1240, 1241, 1242, 1243, 1244, 1245, 1246, 1247, 1248, 1249, 1250, 1251, 1252, 1253, 1254, 1255, 1256, 1257, 1258, 1260, 1262, 1264, 1265, 1266, 1267, 1268, 1269, 1270, 1271, 1272, 1273, 1274, 1275, 1276, 1277, 1278, 1279, 1280, 1281, 1282, 1283, 1284, 1285, 1297, 1298, 1299, 1305, 1306, 1307, 1308, 1309, 1310, 1311, 1312, 1313, 1314, 1315, 1316, 1318, 1320, 1321, 1322, 1323, 1324, 1325, 1326, 1328, 1329, 1330, 1331, 1332, 1336, 1337, 1338, 1339, 1340, 1341, 1342, 1343, 1344, 1362, 1364, 1365, 1370, 1371, 1373, 1374, 1376, 1377, 1379, 1380, 1383, 1384, 1389, 1397, 1398, 1400, 1401, 1409, 1411, 1414, 1420, 1422, 1434, 1435, 1436, 1437, 1438, 1439, 1447, 1450, 1452, 1453, 1454, 1455, 1457, 1463, 1464, 1465, 1466, 1467, 1468, 1469, 1475, 1483, 1485, 1486, 1488, 1489, 1490, 1491, 1492, 1493, 1494, 1495, 1497, 1499, 1501, 1502, 1503, 1504, 1505, 1508, 1509, 1510, 1511, 1512, 1513, 1514, 1515, 1516, 1518, 1519, 1528, 1530, 1532, 1533, 1534, 1535, 1537, 1539, 1540, 1541, 1542, 1543, 1544, 1545, 1546, 1547, 1548, 1549, 1550, 1551, 1552, 1553, 1555, 1556, 1557, 1558, 1559, 1562, 1563, 1564, 1566, 1570, 1571, 1573, 1574, 1575, 1576, 1577, 1578, 1579, 1581, 1585, 1586, 1588, 1589, 1590, 1591, 1592, 1593, 1594, 1595, 1596, 1598, 1601, 1602, 1606, 1608, 1609, 1610, 1612, 1614, 1616, 1617, 1618, 1619, 1620, 1621, 1622, 1623, 1624, 1625, 1626, 1627, 1631, 1632, 1633, 1634, 1635, 1636, 1638, 1639, 1640, 1641, 1642, 1643, 1644, 1645, 1646, 1647, 1648, 1649, 1650, 1651, 1652, 1653, 1654, 1658, 1659, 1660, 1662, 1676, 1677, 1678, 1679, 1680, 1681, 1683, 1684, 1685, 1686, 1687, 1688, 1689, 1690, 1692, 1693, 1694, 1695, 1696, 1697, 1698, 1699, 1700, 1701, 1702, 1703, 1704, 1705, 1706, 1707, 1708, 1709, 1710, 1725, 1730, 1734, 1736, 1738, 1739, 1740, 1741, 1742, 1744, 1750, 1751, 1753, 1754, 1756, 1757, 1758, 1759, 1760, 1763, 1771, 1772, 1773, 1774, 1775, 1778, 1780, 1785, 1786, 1787, 1788, 1789, 1790, 1791, 1792, 1793, 1794, 1795, 1796, 1797, 1798, 1799, 1801, 1805, 1806, 1807, 1808, 1809, 1810, 1811, 1812, 1820, 1825, 1826, 1827, 1828, 1829, 1830, 1831, 1832, 1833, 1834, 1835, 1837, 1838, 1839, 1840, 1841, 1842, 1843, 1848, 1849, 1862, 1868, 1869, 1871, 1873, 1879, 1884, 1885, 1886, 1888, 1900, 1902, 1904, 1912, 1914, 1916, 1917, 1918, 1919, 1920, 1922, 1925, 1926, 1927, 1928, 1929, 1930, 1931, 1946, 1948, 1949, 1950, 1951, 1952, 1953, 1954, 1955, 1956, 1957, 1958, 1972, 1977, 1978, 1979, 1980, 1981, 1982, 1983, 1984, 1985, 1986, 1987, 1989, 1990, 1991, 1992, 1993, 1994, 2002, 2007, 2008, 2009, 2010, 2011, 2012, 2013, 2014, 2015, 2016, 2017, 2019, 2020, 2021, 2022, 2023, 2024, 2033, 2034, 2035, 2036, 2037, 2038, 2040, 2041, 2042, 2043, 2044, 2045, 2046, 2047, 2049, 2052, 2055, 2056, 2076, 2080, 2082, 2084, 2085, 2086, 2087, 2088, 2089, 2090, 2091, 2092, 2093, 2094, 2095, 2096, 2097, 2098, 2100, 2102, 2103, 2104, 2105, 2106, 2107, 2108, 2109, 2110, 2111, 2112, 2113, 2114, 2115, 2116, 2117, 2118, 2119, 2121, 2122, 2125, 2126, 2130, 2131, 2132, 2133, 2134, 2135, 2136, 2137, 2138, 2145, 2146, 2147, 2148, 2154, 2155, 2156, 2157, 2164, 2165, 2166, 2167, 2168, 2173, 2174, 2179, 2180, 2181, 2182, 2189, 2190, 2197, 2199, 2201, 2203, 2205, 2231, 2233, 2235, 2239, 2241, 2244, 2245, 2246, 2247, 2248, 2250, 2252, 2254, 2261, 2269, 2274, 2275, 2276, 2277, 2278, 2279, 2280, 2281, 2282, 2283, 2284, 2286, 2287, 2288, 2289, 2290, 2291, 2295, 2296, 2304, 2306, 2308, 2309, 2310, 2311, 2313, 2317, 2318, 2320, 2321, 2322, 2323, 2324, 2325, 2326, 2328, 2329, 2330, 2331, 2332, 2333, 2334, 2335, 2336, 2338, 2339, 2340, 2341, 2342, 2343, 2344, 2345, 2346, 2347, 2348, 2349, 2357, 2362, 2363, 2364, 2365, 2366, 2367, 2368, 2369, 2370, 2371, 2372, 2374, 2375, 2376, 2377, 2378, 2379, 2381, 2382, 2383, 2384, 2385, 2387, 2389, 2390, 2391, 2392, 2393, 2394, 2396, 2397, 2398, 2399, 2400, 2401, 2402, 2403, 2404, 2405, 2406, 2407, 2408, 2409, 2410, 2412, 2414, 2415, 2416, 2417, 2418, 2419, 2420, 2421, 2422, 2423, 2424, 2425, 2426, 2427, 2428, 2429, 2430, 2431, 2432, 2434, 2436, 2437, 2438, 2439, 2440, 2441, 2442, 2443, 2444, 2445, 2446, 2447, 2448, 2450, 2452, 2453, 2454, 2455, 2456, 2457, 2458, 2460, 2470, 2472, 2474, 2475, 2476, 2479, 2484, 2490, 2491, 2493, 2494, 2495, 2497, 2500, 2505, 2506, 2529, 2531, 2533, 2534, 2535, 2539, 2551, 2552, 2553, 2555, 2556, 2557, 2558, 2559, 2560, 2561, 2563, 2571, 2573, 2575, 2583, 2585, 2600, 2602, 2619, 2621, 2622, 2623, 2625, 2626, 2628, 2629, 2630, 2631, 2633, 2635, 2637, 2638, 2639, 2640, 2641, 2642, 2643, 2644, 2645, 2646, 2647, 2648, 2653, 2658, 2663, 2664, 2665, 2666, 2667, 2668, 2673, 2678, 2690, 2703, 2706, 2715, 2718, 2721, 2722, 2725, 2727, 2729, 2730, 2731, 2732, 2733, 2749, 2750, 2751, 2752, 2753, 2754, 2756, 2757, 2758, 2759, 2767, 2772, 2773, 2774, 2775, 2776, 2777, 2778, 2779, 2780, 2781, 2782, 2784, 2785, 2786, 2787, 2788, 2789, 2790, 2791, 2793, 2794, 2802, 2803, 2805, 2806, 2807, 2812, 2814, 2817, 2819, 2821, 2830, 2831, 2832, 2833, 2834, 2835, 2837, 2838, 2839, 2840, 2842, 2850, 2852, 2854, 2862, 2864, 2865, 2866, 2867, 2869, 2884, 2886, 2888, 2905, 2951, 2952, 2964, 2965, 2966, 2980, 2981, 2982, 2983, 2984, 2985, 2987, 2988, 2989, 2990, 2998, 3003, 3004, 3005, 3006, 3007, 3008, 3009, 3010, 3011, 3012, 3013, 3015, 3016, 3017, 3018, 3019, 3020, 3026, 3032, 3033, 3042, 3043, 3044, 3045, 3046, 3047, 3049, 3050, 3051, 3052, 3053, 3054, 3055, 3056, 3057, 3059, 3067, 3069, 3070, 3073, 3074, 3075, 3077, 3081, 3082, 3083, 3084, 3085, 3086, 3087, 3088, 3089, 3090, 3091, 3095, 3096, 3097, 3106, 3107, 3108, 3109, 3110, 3111, 3113, 3114, 3115, 3116, 3117, 3118, 3119, 3120, 3121, 3122, 3124, 3126, 3128, 3129, 3130, 3131, 3132, 3133, 3142, 3143, 3144, 3146, 3147, 3148, 3149, 3150, 3151, 3152, 3154, 3156, 3157, 3158, 3159, 3160, 3161, 3162, 3164, 3166, 3167, 3168, 3169, 3170, 3171, 3172, 3173, 3175, 3178, 3179, 3180, 3181, 3183, 3191, 3193, 3194, 3196, 3197, 3198, 3208, 3209, 3210, 3212, 3213, 3214, 3215, 3216, 3217, 3218, 3221, 3227, 3228, 3229, 3233, 3234, 3235, 3238, 3239, 3240, 3241, 3242, 3243, 3244, 3252, 3257, 3258, 3259, 3260, 3261, 3262, 3263, 3264, 3265, 3266, 3267, 3269, 3270, 3271, 3272, 3273, 3274, 3276, 3279, 3280, 3281, 3282, 3283, 3284, 3287, 3288, 3299, 3300, 3306, 3307, 3310, 3311, 3312, 3313, 3314, 3315, 3316, 3317, 3318, 3319, 3320, 3321, 3323, 3325, 3326, 3331, 3333, 3339, 3340, 3341, 3342, 3343, 3345, 3347, 3348, 3349, 3351, 3352, 3353, 3354, 3355, 3364, 3366, 3368, 3369, 3370, 3376, 3377, 3379, 3380, 3381, 3383, 3384, 3385, 3387, 3388, 3389, 3391, 3394, 3395, 3398, 3399, 3400, 3401, 3402, 3403, 3404, 3405, 3406, 3407, 3410, 3412, 3414, 3417, 3419, 3422, 3425, 3427, 3429, 3430, 3431, 3432, 3433, 3435, 3437, 3439, 3440, 3441, 3442, 3443, 3445, 3447, 3449, 3450, 3451, 3452, 3453, 3455, 3458, 3466, 3468, 3472, 3478, 3479, 3482, 3483, 3484, 3486, 3487, 3488, 3489, 3490, 3491, 3492, 3493, 3496, 3497, 3498, 3499, 3501, 3502, 3503, 3504, 3505, 3507, 3509, 3511, 3512, 3513, 3514, 3515, 3516, 3520, 3521, 3522, 3523, 3524, 3525, 3526, 3533, 3534, 3535, 3536, 3537, 3540, 3545, 3547, 3551, 3553, 3555, 3557, 3559, 3561, 3573, 3578, 3579, 3580, 3582, 3583, 3586, 3588, 3590, 3591, 3592, 3593, 3594, 3597, 3599, 3603, 3611, 3616, 3617, 3618, 3619, 3621, 3623, 3628, 3631, 3632, 3633, 3634, 3636, 3637, 3638, 3639, 3641, 3645, 3646, 3648, 3649, 3650, 3651, 3652, 3653, 3654, 3655, 3656, 3661, 3665, 3667, 3668, 3672, 3673, 3674, 3678, 3683, 3686, 3688, 3690, 3694, 3696, 3701, 3702, 3703, 3705, 3706, 3707, 3708, 3710, 3712, 3714, 3715, 3716, 3717, 3718, 3720, 3722, 3724, 3725, 3726, 3727, 3728, 3730, 3731, 3732, 3733, 3734, 3735, 3736, 3737, 3738, 3739, 3740, 3741, 3742, 3747, 3752, 3753, 3755, 3756, 3757, 3758, 3774, 3777, 3778, 3780, 3805, 3806, 3809, 3810, 3811, 3812, 3813, 3814, 3815, 3817, 3819, 3821, 3822, 3823, 3824, 3825, 3827, 3828, 3831, 3832, 3833, 3834, 3836, 3837, 3838, 3839, 3843, 3844, 3850, 3852, 3855, 3856, 3857, 3858, 3866, 3867, 3868, 3869, 3870, 3871, 3876, 3877, 3878, 3888, 3890, 3892, 3935, 3952, 3966, 3967, 3968, 3969, 3970, 3971, 3972, 3974, 3975, 3976, 3977, 3978, 3979, 3980, 3982, 3983, 3984, 3985, 3986, 3989, 3990, 3991, 3992, 3993, 3994, 3996, 3997, 3998, 3999, 4000, 4001, 4002, 4006, 4007, 4008, 4010, 4011, 4012, 4016, 4023, 4024, 4025, 4037, 4044, 4046, 4047, 4049, 4055, 4056, 4072, 4073], ('O', 1, 'O', 2): [29, 58, 63, 68, 69, 73, 74, 85, 86, 87, 88, 89, 90, 125, 126, 128, 129, 131, 132, 151, 152, 169, 181, 182, 183, 184, 194, 215, 225, 279, 280, 284, 285, 312, 318, 326, 339, 348, 351, 352, 360, 362, 380, 381, 385, 393, 394, 398, 415, 416, 420, 459, 479, 480, 481, 482, 483, 516, 517, 521, 577, 605, 607, 608, 610, 622, 623, 626, 633, 634, 635, 643, 644, 645, 646, 650, 658, 659, 663, 689, 701, 704, 761, 762, 766, 793, 835, 836, 840, 854, 855, 956, 975, 1013, 1044, 1074, 1095, 1114, 1151, 1172, 1215, 1236, 1319, 1348, 1395, 1403, 1404, 1408, 1415, 1418, 1446, 1458, 1459, 1521, 1522, 1526, 1554, 1565, 1567, 1568, 1569, 1572, 1580, 1582, 1583, 1584, 1587, 1607, 1637, 1682, 1745, 1746, 1755, 1836, 1863, 1864, 1893, 1894, 1898, 1905, 1906, 1910, 1988, 2018, 2039, 2066, 2099, 2101, 2196, 2198, 2200, 2202, 2204, 2230, 2232, 2234, 2236, 2238, 2240, 2242, 2249, 2253, 2285, 2297, 2298, 2302, 2312, 2314, 2315, 2316, 2319, 2327, 2373, 2386, 2388, 2395, 2411, 2413, 2433, 2435, 2449, 2451, 2459, 2463, 2464, 2468, 2498, 2501, 2522, 2523, 2527, 2554, 2564, 2565, 2569, 2576, 2577, 2581, 2586, 2595, 2598, 2669, 2670, 2702, 2714, 2755, 2783, 2795, 2796, 2797, 2798, 2813, 2836, 2843, 2844, 2848, 2855, 2856, 2860, 2877, 2878, 2882, 2890, 2906, 2953, 2954, 2986, 3014, 3027, 3028, 3048, 3060, 3061, 3065, 3076, 3078, 3112, 3145, 3153, 3155, 3163, 3184, 3185, 3189, 3195, 3211, 3222, 3223, 3268, 3298, 3305, 3308, 3309, 3334, 3335, 3344, 3356, 3357, 3358, 3362, 3415, 3420, 3421, 3459, 3460, 3464, 3500, 3538, 3539, 3543, 3548, 3549, 3562, 3563, 3564, 3565, 3566, 3567, 3581, 3622, 3627, 3640, 3642, 3643, 3644, 3647, 3684, 3691, 3692, 3693, 3761, 3762, 3880, 3881, 3882, 3886, 4013, 4014, 4031, 4063, 4075], ('O', 2, 'oxidation'): [37, 40, 67, 70, 80, 81, 127, 130, 133, 231, 327, 363, 624, 627, 629, 631, 705, 848, 850, 1317, 1327, 1597, 1599, 1661, 1663, 1921, 1923, 1945, 1947, 2243, 2811, 2818, 2903, 2904, 2949, 3174, 3176, 3392, 3413, 3416, 3418, 3544, 3546, 3550, 3552, 3554, 3556, 3558, 3560, 3682, 3685, 3687, 3689, 3759, 4020], ('C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 3, 'C', 3, 'O', 1, 'N', 1, 'N', 4, 'C', 4, 'O', 2, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'C', 2, 'C', 4, 'O', 2, 'C', 4, 'C', 4, 'O', 2, 'P', 5, 'O', 1, 'O', 1, 'O', 2, 'C', 4, 'O', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'N', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 1): [41, 2503], ('O', 2, 'epoxidation'): [42, 209, 210, 238, 297, 298, 458, 502, 503, 504, 505, 506, 507, 508, 509, 510, 511, 512, 532, 817, 851, 945, 947, 948, 949, 964, 966, 967, 968, 1024, 1025, 1027, 1029, 1030, 1031, 1032, 1054, 1055, 1057, 1059, 1060, 1061, 1062, 1084, 1086, 1087, 1088, 1103, 1105, 1106, 1107, 1131, 1132, 1134, 1136, 1137, 1138, 1139, 1161, 1163, 1164, 1165, 1195, 1196, 1198, 1200, 1201, 1202, 1203, 1225, 1227, 1228, 1229, 1286, 1287, 1288, 1289, 1290, 1291, 1292, 1293, 1294, 1295, 1296, 1300, 1301, 1302, 1303, 1304, 1333, 1334, 1335, 1424, 1425, 1426, 1427, 1428, 1429, 1430, 1431, 1432, 1433, 1440, 1441, 1442, 1443, 1444, 1445, 1448, 1449, 1451, 1470, 1471, 1472, 1473, 1474, 1476, 1478, 1479, 1481, 1482, 1484, 1487, 1600, 1628, 1629, 1630, 1664, 1671, 1673, 1674, 1675, 1714, 1715, 1716, 1717, 1718, 1719, 1720, 1721, 1722, 1723, 1724, 1776, 1777, 1779, 1781, 1782, 1783, 1784, 1816, 1817, 1819, 1821, 1822, 1823, 1824, 1924, 1934, 1935, 1936, 1937, 1938, 1939, 1940, 1941, 1942, 1943, 1944, 1968, 1969, 1971, 1973, 1974, 1975, 1976, 1998, 1999, 2001, 2003, 2004, 2005, 2006, 2028, 2030, 2031, 2032, 2048, 2050, 2051, 2053, 2054, 2169, 2170, 2171, 2172, 2175, 2176, 2177, 2178, 2265, 2266, 2268, 2270, 2271, 2272, 2273, 2353, 2354, 2356, 2358, 2359, 2360, 2361, 2504, 2547, 2548, 2549, 2550, 2696, 2697, 2698, 2699, 2700, 2701, 2704, 2705, 2707, 2708, 2709, 2710, 2711, 2712, 2713, 2716, 2717, 2719, 2744, 2746, 2747, 2748, 2763, 2764, 2766, 2768, 2769, 2770, 2771, 2825, 2827, 2828, 2829, 2975, 2977, 2978, 2979, 2994, 2995, 2997, 2999, 3000, 3001, 3002, 3037, 3039, 3040, 3041, 3101, 3103, 3104, 3105, 3138, 3139, 3140, 3141, 3165, 3177, 3203, 3204, 3205, 3206, 3207, 3231, 3248, 3249, 3251, 3253, 3254, 3255, 3256, 3296, 3397, 3469, 3473, 3480, 3481, 3494, 3495, 3612, 3662, 3743, 3744, 3745, 3746, 3748, 3749, 3750, 3751, 3763, 3764, 3973, 3995, 4071], ('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2): [45, 46, 407, 408, 758, 759, 1349, 1350], ('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'O', 1, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1): [60, 309], ('C', 1): [61, 295, 296, 386, 388, 390, 399, 401, 403, 421, 423, 425, 522, 524, 526, 651, 653, 655, 664, 666, 668, 767, 769, 771, 833, 841, 843, 1345, 1391, 1410, 1412, 1413, 1419, 1421, 1527, 1529, 1531, 1899, 1901, 1903, 1911, 1913, 1915, 2161, 2163, 2259, 2260, 2303, 2305, 2307, 2469, 2471, 2473, 2528, 2530, 2532, 2562, 2570, 2572, 2574, 2582, 2584, 2599, 2601, 2740, 2841, 2849, 2851, 2853, 2861, 2863, 2883, 2885, 2887, 2968, 3058, 3066, 3068, 3072, 3182, 3190, 3192, 3285, 3363, 3365, 3367, 3382, 3457, 3465, 3467, 3846, 3887, 3889, 3891], ('C', 3, 'C', 2, 'C', 2, 'C', 1, 'O', 1): [120, 124, 3782], ('C', 2, 'C', 2, 'O', 2): [122], ('C', 2, 'C', 4, 'C', 1, 'O', 1, 'C', 3, 'C', 2, 'C', 2): [123, 3781], ('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1, 'O', 1, 'C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 1, 'C', 1, 'O', 2): [140, 307, 592], ('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1, 'O', 1, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2): [141, 308, 593], ('C', 1, 'O', 1): [148], ('O', 1, 'O', 1, 'C', 1): [150], ('O', 2, 'O', 2): [160, 500, 737, 2499, 3423, 3981], 'ring': [176, 292, 330, 343, 344, 345, 346, 365, 452, 579, 580, 588, 686, 717, 718, 1357, 1358, 1360, 1361, 1729, 1847, 1877, 1892, 2257, 2258, 2662, 2677, 2735, 2736, 2737, 2738, 2870, 2909, 2910, 2911, 2912, 3572, 3614, 3664, 4061, 4062, 4074], 'central iron atom reduction': [224, 752, 754, 1538, 2691, 3390, 3754, 4009], ('O', 2, 'O', 1, 'O', 1): [230], ('C', 3, 'N', 2, 'C', 3, 'N', 3): [243, 584, 1363], ('O', 1, 'O', 1): [247, 248, 249, 250, 262, 293, 321, 338, 453, 604, 749, 750, 993, 996, 1853, 1880, 1881, 1932, 1933, 2871, 2889, 3297, 3577, 3598, 3606, 3879], ('C', 4, 'O', 1, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2): [342], ('C', 3, 'O', 2): [382, 383, 384, 395, 396, 397, 417, 418, 419, 518, 519, 520, 647, 648, 649, 660, 661, 662, 763, 764, 765, 837, 838, 839, 852, 1405, 1406, 1407, 1416, 1417, 1456, 1523, 1524, 1525, 1743, 1861, 1895, 1896, 1897, 1907, 1908, 1909, 2299, 2300, 2301, 2465, 2466, 2467, 2524, 2525, 2526, 2566, 2567, 2568, 2578, 2579, 2580, 2596, 2597, 2845, 2846, 2847, 2857, 2858, 2859, 2879, 2880, 2881, 3025, 3062, 3063, 3064, 3186, 3187, 3188, 3220, 3332, 3359, 3360, 3361, 3461, 3462, 3463, 3883, 3884, 3885], ('C', 1, 'O', 1, 'C', 4, 'C', 1): [455, 456, 457, 3295], ('C', 3, 'C', 4, 'O', 1, 'C', 3, 'O', 2, 'C', 3, 'C', 4, 'C', 1): [486], ('C', 1, 'C', 1): [492, 493], ('O', 2, 'O', 1, 'O', 2): [534, 807, 942, 943, 944, 946, 961, 962, 963, 965, 1021, 1022, 1023, 1026, 1051, 1052, 1053, 1056, 1081, 1082, 1083, 1085, 1100, 1101, 1102, 1104, 1128, 1129, 1130, 1133, 1158, 1159, 1160, 1162, 1192, 1193, 1194, 1197, 1222, 1223, 1224, 1226, 1668, 1669, 1670, 1672, 1726, 1813, 1814, 1815, 1818, 1844, 1874, 1889, 1965, 1966, 1967, 1970, 1995, 1996, 1997, 2000, 2025, 2026, 2027, 2029, 2262, 2263, 2264, 2267, 2350, 2351, 2352, 2355, 2540, 2543, 2544, 2545, 2546, 2654, 2659, 2674, 2741, 2742, 2743, 2745, 2760, 2761, 2762, 2765, 2822, 2823, 2824, 2826, 2972, 2973, 2974, 2976, 2991, 2992, 2993, 2996, 3034, 3035, 3036, 3038, 3092, 3098, 3099, 3100, 3102, 3134, 3135, 3136, 3137, 3199, 3200, 3201, 3202, 3245, 3246, 3247, 3250, 3607, 3608, 3609, 3610, 3657, 3658, 3659, 3660], (): [536, 809, 2542, 2656, 2936, 3094, 3574, 3697], ('C', 3, 'O', 1, 'C', 3, 'O', 2): [675, 1356, 1359], ('C', 4, 'N', 3, 'O', 1, 'N', 2): [676], ('O', 2): [722, 2158], ('O', 2, 'O', 2, 'O', 1, 'O', 1, 'O', 1, 'O', 1): [805], ('C', 1, 'O', 2, 'O', 1): [820, 821, 857, 858, 927, 928, 1461, 1462, 1604, 1605, 1656, 1657, 1748, 1749, 1866, 1867, 2077, 2078, 2128, 2129, 2139, 2140, 2141, 2142, 2143, 2144, 2649, 2650, 2651, 2652, 3030, 3031, 3225, 3226, 3293, 3294, 3337, 3338, 3518, 3519, 3527, 3528, 3529, 3530, 3595, 3596, 3987, 3988], ('C', 3, 'O', 2, 'O', 2, 'O', 1): [856, 1460, 1747, 1865, 3029, 3224, 3336], ('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2): [861, 1119, 1188, 1399, 1517, 2120, 2124, 2624, 2720, 3666, 3842], ('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2): [864, 1122, 1191, 1402, 1520, 2123, 2127, 2380, 2627, 2723, 3517, 3669, 3845], ('N', 3, 'O', 1, 'N', 3): [881], ('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2): [893, 894, 929, 930, 1178, 1180, 1182, 1259, 1261, 1263, 1496, 1498, 1500, 1506, 1507, 1611, 1613, 1615, 1733, 1735, 1737, 1761, 1762, 2074, 2075, 2079, 2081, 2083, 2632, 2634, 2636, 2724, 2726, 2728, 3123, 3125, 3127, 3424, 3426, 3428, 3434, 3436, 3438, 3444, 3446, 3448, 3506, 3508, 3510, 3531, 3532, 3585, 3587, 3589, 3704, 3709, 3711, 3713, 3719, 3721, 3723, 3816, 3818, 3820], ('C', 4, 'N', 3, 'O', 1, 'C', 2, 'C', 4, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3): [918], ('C', 4, 'N', 3, 'O', 1, 'C', 2, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3): [919], ('C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'O', 1, 'O', 2, 'O', 1, 'O', 1, 'O', 2, 'C', 1): [1352], ('C', 3, 'C', 2, 'C', 4, 'C', 1, 'C', 4, 'C', 1, 'C', 3, 'C', 4, 'O', 1): [1366], ('O', 1, 'aromaticity change'): [1367, 1372, 1375, 1378, 1381, 1382, 1385, 1386], ('C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4, 'C', 1, 'C', 1, 'C', 4): [1390], ('C', 1, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4): [1392], ('C', 1, 'C', 2): [1393], ('C', 1, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 1, 'C', 4): [1394], ('C', 3, 'O', 1, 'C', 3): [1477, 1480], ('N', 4, 'N', 3, 'N', 2): [1665, 1666], ('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2): [1728, 1846, 1876, 1891, 2661, 2676, 3613, 3663], ('C', 4, 'C', 3, 'C', 4, 'C', 2, 'C', 4, 'N', 4, 'C', 1, 'C', 2, 'C', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'C', 4, 'O', 1, 'C', 3, 'C', 4, 'C', 3, 'C', 3, 'C', 4, 'O', 1): [1872], ('N', 4, 'C', 4, 'C', 2, 'C', 2, 'C', 4, 'N', 2, 'C', 4, 'C', 2, 'S', 1, 'C', 4, 'O', 2, 'N', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 1, 'C', 4, 'O', 2, 'O', 1): [1883], ('C', 4, 'C', 2, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'N', 3, 'C', 1, 'C', 2, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'O', 2): [1959], ('C', 2, '*', 1, 'O', 1, 'O', 2): [1960], ('O', 1, 'C', 1, 'O', 2, 'C', 2): [2337, 4045], ('N', 3, 'C', 3, 'N', 2, 'C', 4, 'O', 2): [2496, 2868, 3386, 3635], ('C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 2, 'C', 2, 'O', 1, 'N', 1, 'N', 4, 'C', 4, 'O', 2, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'C', 2, 'C', 4, 'O', 2, 'C', 4, 'C', 4, 'O', 2, 'P', 5, 'O', 1, 'O', 1, 'O', 2, 'C', 4, 'O', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'N', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 1): [2502], ('O', 2, 'ring expansion'): [2816, 2907, 3568, 3569, 3570], ('C', 1, 'C', 1, 'O', 2, 'C', 4, 'N', 3, 'C', 4, 'N', 2, 'C', 4, 'C', 4, 'N', 3, 'N', 3, 'C', 2, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 2, 'O', 1, 'O', 1, 'O', 1, 'O', 1, 'O', 1, 'O', 2, 'O', 2): [3485], ('C', 4, 'C', 1, 'C', 1, 'O', 2, 'O', 2, 'C', 4, 'C', 1, 'C', 3): [3571], ('C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 1, 'C', 3, 'C', 4, 'O', 1, 'C', 4, 'C', 4, 'O', 2): [3670, 3671, 3765, 3766], ('C', 1, 'C', 4, 'C', 1, 'C', 3, 'C', 2, 'C', 2, 'C', 4, 'C', 1, 'C', 3, 'C', 2, 'C', 2, 'C', 4, 'C', 1, 'C', 3, 'C', 2): [3760], ('O', 1, 'C', 4, 'O', 2): [3800], ('C', 4, 'N', 3, 'C', 4, 'O', 1, 'O', 2): [3801], ('C', 4, 'N', 3): [3802], ('C', 4, 'C', 1, 'N', 3, 'C', 1, 'N', 2): [3859]}\n",
      "{('O', 1): [9, 13, 14, 20, 27, 28, 30, 31, 32, 35, 36, 38, 39, 59, 62, 65, 66, 71, 72, 82, 83, 84, 100, 101, 102, 103, 104, 105, 121, 138, 139, 143, 144, 147, 149, 170, 171, 177, 178, 180, 190, 195, 196, 203, 204, 205, 211, 212, 216, 217, 218, 219, 220, 221, 223, 226, 227, 228, 239, 240, 251, 252, 253, 254, 260, 263, 269, 277, 278, 287, 288, 291, 299, 300, 301, 302, 303, 304, 305, 306, 311, 313, 314, 315, 316, 317, 319, 336, 349, 350, 353, 354, 358, 359, 361, 364, 373, 374, 375, 376, 387, 389, 391, 400, 402, 404, 422, 424, 426, 429, 430, 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 451, 467, 468, 470, 476, 478, 491, 494, 513, 514, 515, 523, 525, 527, 530, 531, 533, 570, 574, 575, 576, 578, 589, 590, 602, 603, 609, 611, 612, 613, 625, 628, 630, 632, 636, 637, 638, 639, 640, 641, 642, 652, 654, 656, 665, 667, 669, 677, 678, 679, 680, 681, 682, 684, 685, 688, 690, 691, 692, 700, 703, 706, 721, 724, 725, 726, 727, 728, 729, 730, 731, 741, 742, 745, 746, 747, 751, 753, 756, 768, 770, 772, 773, 774, 775, 776, 781, 782, 783, 784, 785, 786, 787, 788, 789, 790, 794, 797, 798, 799, 800, 801, 802, 806, 810, 811, 812, 813, 814, 815, 818, 819, 822, 823, 824, 825, 826, 827, 828, 834, 842, 844, 845, 846, 847, 849, 853, 859, 860, 862, 863, 865, 866, 867, 868, 869, 870, 882, 883, 887, 888, 889, 890, 891, 892, 895, 896, 897, 905, 906, 907, 908, 909, 910, 911, 912, 913, 914, 915, 926, 931, 932, 933, 934, 935, 936, 937, 938, 939, 940, 941, 950, 951, 952, 953, 954, 955, 957, 958, 959, 960, 969, 970, 971, 972, 973, 974, 976, 977, 978, 979, 980, 981, 985, 991, 992, 994, 995, 997, 998, 999, 1000, 1001, 1002, 1003, 1004, 1005, 1006, 1007, 1008, 1009, 1010, 1011, 1012, 1014, 1015, 1016, 1017, 1018, 1019, 1020, 1028, 1033, 1034, 1035, 1036, 1037, 1038, 1039, 1040, 1041, 1042, 1043, 1045, 1046, 1047, 1048, 1049, 1050, 1058, 1063, 1064, 1065, 1066, 1067, 1068, 1069, 1070, 1071, 1072, 1073, 1075, 1076, 1077, 1078, 1079, 1080, 1089, 1090, 1091, 1092, 1093, 1094, 1096, 1097, 1098, 1099, 1108, 1109, 1110, 1111, 1112, 1113, 1115, 1116, 1117, 1118, 1120, 1121, 1123, 1124, 1125, 1126, 1127, 1135, 1140, 1141, 1142, 1143, 1144, 1145, 1146, 1147, 1148, 1149, 1150, 1152, 1153, 1154, 1155, 1156, 1157, 1166, 1167, 1168, 1169, 1170, 1171, 1173, 1174, 1175, 1176, 1177, 1179, 1181, 1183, 1184, 1185, 1186, 1187, 1189, 1190, 1199, 1204, 1205, 1206, 1207, 1208, 1209, 1210, 1211, 1212, 1213, 1214, 1216, 1217, 1218, 1219, 1220, 1221, 1230, 1231, 1232, 1233, 1234, 1235, 1237, 1238, 1239, 1240, 1241, 1242, 1243, 1244, 1245, 1246, 1247, 1248, 1249, 1250, 1251, 1252, 1253, 1254, 1255, 1256, 1257, 1258, 1260, 1262, 1264, 1265, 1266, 1267, 1268, 1269, 1270, 1271, 1272, 1273, 1274, 1275, 1276, 1277, 1278, 1279, 1280, 1281, 1282, 1283, 1284, 1285, 1297, 1298, 1299, 1305, 1306, 1307, 1308, 1309, 1310, 1311, 1312, 1313, 1314, 1315, 1316, 1318, 1320, 1321, 1322, 1323, 1324, 1325, 1326, 1328, 1329, 1330, 1331, 1332, 1336, 1337, 1338, 1339, 1340, 1341, 1342, 1343, 1344, 1362, 1364, 1365, 1370, 1371, 1373, 1374, 1376, 1377, 1379, 1380, 1383, 1384, 1389, 1397, 1398, 1400, 1401, 1409, 1411, 1414, 1420, 1422, 1434, 1435, 1436, 1437, 1438, 1439, 1447, 1450, 1452, 1453, 1454, 1455, 1457, 1463, 1464, 1465, 1466, 1467, 1468, 1469, 1475, 1483, 1485, 1486, 1488, 1489, 1490, 1491, 1492, 1493, 1494, 1495, 1497, 1499, 1501, 1502, 1503, 1504, 1505, 1508, 1509, 1510, 1511, 1512, 1513, 1514, 1515, 1516, 1518, 1519, 1528, 1530, 1532, 1533, 1534, 1535, 1537, 1539, 1540, 1541, 1542, 1543, 1544, 1545, 1546, 1547, 1548, 1549, 1550, 1551, 1552, 1553, 1555, 1556, 1557, 1558, 1559, 1562, 1563, 1564, 1566, 1570, 1571, 1573, 1574, 1575, 1576, 1577, 1578, 1579, 1581, 1585, 1586, 1588, 1589, 1590, 1591, 1592, 1593, 1594, 1595, 1596, 1598, 1601, 1602, 1606, 1608, 1609, 1610, 1612, 1614, 1616, 1617, 1618, 1619, 1620, 1621, 1622, 1623, 1624, 1625, 1626, 1627, 1631, 1632, 1633, 1634, 1635, 1636, 1638, 1639, 1640, 1641, 1642, 1643, 1644, 1645, 1646, 1647, 1648, 1649, 1650, 1651, 1652, 1653, 1654, 1658, 1659, 1660, 1662, 1676, 1677, 1678, 1679, 1680, 1681, 1683, 1684, 1685, 1686, 1687, 1688, 1689, 1690, 1692, 1693, 1694, 1695, 1696, 1697, 1698, 1699, 1700, 1701, 1702, 1703, 1704, 1705, 1706, 1707, 1708, 1709, 1710, 1725, 1730, 1734, 1736, 1738, 1739, 1740, 1741, 1742, 1744, 1750, 1751, 1753, 1754, 1756, 1757, 1758, 1759, 1760, 1763, 1771, 1772, 1773, 1774, 1775, 1778, 1780, 1785, 1786, 1787, 1788, 1789, 1790, 1791, 1792, 1793, 1794, 1795, 1796, 1797, 1798, 1799, 1801, 1805, 1806, 1807, 1808, 1809, 1810, 1811, 1812, 1820, 1825, 1826, 1827, 1828, 1829, 1830, 1831, 1832, 1833, 1834, 1835, 1837, 1838, 1839, 1840, 1841, 1842, 1843, 1848, 1849, 1862, 1868, 1869, 1871, 1873, 1879, 1884, 1885, 1886, 1888, 1900, 1902, 1904, 1912, 1914, 1916, 1917, 1918, 1919, 1920, 1922, 1925, 1926, 1927, 1928, 1929, 1930, 1931, 1946, 1948, 1949, 1950, 1951, 1952, 1953, 1954, 1955, 1956, 1957, 1958, 1972, 1977, 1978, 1979, 1980, 1981, 1982, 1983, 1984, 1985, 1986, 1987, 1989, 1990, 1991, 1992, 1993, 1994, 2002, 2007, 2008, 2009, 2010, 2011, 2012, 2013, 2014, 2015, 2016, 2017, 2019, 2020, 2021, 2022, 2023, 2024, 2033, 2034, 2035, 2036, 2037, 2038, 2040, 2041, 2042, 2043, 2044, 2045, 2046, 2047, 2049, 2052, 2055, 2056, 2076, 2080, 2082, 2084, 2085, 2086, 2087, 2088, 2089, 2090, 2091, 2092, 2093, 2094, 2095, 2096, 2097, 2098, 2100, 2102, 2103, 2104, 2105, 2106, 2107, 2108, 2109, 2110, 2111, 2112, 2113, 2114, 2115, 2116, 2117, 2118, 2119, 2121, 2122, 2125, 2126, 2130, 2131, 2132, 2133, 2134, 2135, 2136, 2137, 2138, 2145, 2146, 2147, 2148, 2154, 2155, 2156, 2157, 2164, 2165, 2166, 2167, 2168, 2173, 2174, 2179, 2180, 2181, 2182, 2189, 2190, 2197, 2199, 2201, 2203, 2205, 2231, 2233, 2235, 2239, 2241, 2244, 2245, 2246, 2247, 2248, 2250, 2252, 2254, 2261, 2269, 2274, 2275, 2276, 2277, 2278, 2279, 2280, 2281, 2282, 2283, 2284, 2286, 2287, 2288, 2289, 2290, 2291, 2295, 2296, 2304, 2306, 2308, 2309, 2310, 2311, 2313, 2317, 2318, 2320, 2321, 2322, 2323, 2324, 2325, 2326, 2328, 2329, 2330, 2331, 2332, 2333, 2334, 2335, 2336, 2338, 2339, 2340, 2341, 2342, 2343, 2344, 2345, 2346, 2347, 2348, 2349, 2357, 2362, 2363, 2364, 2365, 2366, 2367, 2368, 2369, 2370, 2371, 2372, 2374, 2375, 2376, 2377, 2378, 2379, 2381, 2382, 2383, 2384, 2385, 2387, 2389, 2390, 2391, 2392, 2393, 2394, 2396, 2397, 2398, 2399, 2400, 2401, 2402, 2403, 2404, 2405, 2406, 2407, 2408, 2409, 2410, 2412, 2414, 2415, 2416, 2417, 2418, 2419, 2420, 2421, 2422, 2423, 2424, 2425, 2426, 2427, 2428, 2429, 2430, 2431, 2432, 2434, 2436, 2437, 2438, 2439, 2440, 2441, 2442, 2443, 2444, 2445, 2446, 2447, 2448, 2450, 2452, 2453, 2454, 2455, 2456, 2457, 2458, 2460, 2470, 2472, 2474, 2475, 2476, 2479, 2484, 2490, 2491, 2493, 2494, 2495, 2497, 2500, 2505, 2506, 2529, 2531, 2533, 2534, 2535, 2539, 2551, 2552, 2553, 2555, 2556, 2557, 2558, 2559, 2560, 2561, 2563, 2571, 2573, 2575, 2583, 2585, 2600, 2602, 2619, 2621, 2622, 2623, 2625, 2626, 2628, 2629, 2630, 2631, 2633, 2635, 2637, 2638, 2639, 2640, 2641, 2642, 2643, 2644, 2645, 2646, 2647, 2648, 2653, 2658, 2663, 2664, 2665, 2666, 2667, 2668, 2673, 2678, 2690, 2703, 2706, 2715, 2718, 2721, 2722, 2725, 2727, 2729, 2730, 2731, 2732, 2733, 2749, 2750, 2751, 2752, 2753, 2754, 2756, 2757, 2758, 2759, 2767, 2772, 2773, 2774, 2775, 2776, 2777, 2778, 2779, 2780, 2781, 2782, 2784, 2785, 2786, 2787, 2788, 2789, 2790, 2791, 2793, 2794, 2802, 2803, 2805, 2806, 2807, 2812, 2814, 2817, 2819, 2821, 2830, 2831, 2832, 2833, 2834, 2835, 2837, 2838, 2839, 2840, 2842, 2850, 2852, 2854, 2862, 2864, 2865, 2866, 2867, 2869, 2884, 2886, 2888, 2905, 2951, 2952, 2964, 2965, 2966, 2980, 2981, 2982, 2983, 2984, 2985, 2987, 2988, 2989, 2990, 2998, 3003, 3004, 3005, 3006, 3007, 3008, 3009, 3010, 3011, 3012, 3013, 3015, 3016, 3017, 3018, 3019, 3020, 3026, 3032, 3033, 3042, 3043, 3044, 3045, 3046, 3047, 3049, 3050, 3051, 3052, 3053, 3054, 3055, 3056, 3057, 3059, 3067, 3069, 3070, 3073, 3074, 3075, 3077, 3081, 3082, 3083, 3084, 3085, 3086, 3087, 3088, 3089, 3090, 3091, 3095, 3096, 3097, 3106, 3107, 3108, 3109, 3110, 3111, 3113, 3114, 3115, 3116, 3117, 3118, 3119, 3120, 3121, 3122, 3124, 3126, 3128, 3129, 3130, 3131, 3132, 3133, 3142, 3143, 3144, 3146, 3147, 3148, 3149, 3150, 3151, 3152, 3154, 3156, 3157, 3158, 3159, 3160, 3161, 3162, 3164, 3166, 3167, 3168, 3169, 3170, 3171, 3172, 3173, 3175, 3178, 3179, 3180, 3181, 3183, 3191, 3193, 3194, 3196, 3197, 3198, 3208, 3209, 3210, 3212, 3213, 3214, 3215, 3216, 3217, 3218, 3221, 3227, 3228, 3229, 3233, 3234, 3235, 3238, 3239, 3240, 3241, 3242, 3243, 3244, 3252, 3257, 3258, 3259, 3260, 3261, 3262, 3263, 3264, 3265, 3266, 3267, 3269, 3270, 3271, 3272, 3273, 3274, 3276, 3279, 3280, 3281, 3282, 3283, 3284, 3287, 3288, 3299, 3300, 3306, 3307, 3310, 3311, 3312, 3313, 3314, 3315, 3316, 3317, 3318, 3319, 3320, 3321, 3323, 3325, 3326, 3331, 3333, 3339, 3340, 3341, 3342, 3343, 3345, 3347, 3348, 3349, 3351, 3352, 3353, 3354, 3355, 3364, 3366, 3368, 3369, 3370, 3376, 3377, 3379, 3380, 3381, 3383, 3384, 3385, 3387, 3388, 3389, 3391, 3394, 3395, 3398, 3399, 3400, 3401, 3402, 3403, 3404, 3405, 3406, 3407, 3410, 3412, 3414, 3417, 3419, 3422, 3425, 3427, 3429, 3430, 3431, 3432, 3433, 3435, 3437, 3439, 3440, 3441, 3442, 3443, 3445, 3447, 3449, 3450, 3451, 3452, 3453, 3455, 3458, 3466, 3468, 3472, 3478, 3479, 3482, 3483, 3484, 3486, 3487, 3488, 3489, 3490, 3491, 3492, 3493, 3496, 3497, 3498, 3499, 3501, 3502, 3503, 3504, 3505, 3507, 3509, 3511, 3512, 3513, 3514, 3515, 3516, 3520, 3521, 3522, 3523, 3524, 3525, 3526, 3533, 3534, 3535, 3536, 3537, 3540, 3545, 3547, 3551, 3553, 3555, 3557, 3559, 3561, 3573, 3578, 3579, 3580, 3582, 3583, 3586, 3588, 3590, 3591, 3592, 3593, 3594, 3597, 3599, 3603, 3611, 3616, 3617, 3618, 3619, 3621, 3623, 3628, 3631, 3632, 3633, 3634, 3636, 3637, 3638, 3639, 3641, 3645, 3646, 3648, 3649, 3650, 3651, 3652, 3653, 3654, 3655, 3656, 3661, 3665, 3667, 3668, 3672, 3673, 3674, 3678, 3683, 3686, 3688, 3690, 3694, 3696, 3701, 3702, 3703, 3705, 3706, 3707, 3708, 3710, 3712, 3714, 3715, 3716, 3717, 3718, 3720, 3722, 3724, 3725, 3726, 3727, 3728, 3730, 3731, 3732, 3733, 3734, 3735, 3736, 3737, 3738, 3739, 3740, 3741, 3742, 3747, 3752, 3753, 3755, 3756, 3757, 3758, 3774, 3777, 3778, 3780, 3805, 3806, 3809, 3810, 3811, 3812, 3813, 3814, 3815, 3817, 3819, 3821, 3822, 3823, 3824, 3825, 3827, 3828, 3831, 3832, 3833, 3834, 3836, 3837, 3838, 3839, 3843, 3844, 3850, 3852, 3855, 3856, 3857, 3858, 3866, 3867, 3868, 3869, 3870, 3871, 3876, 3877, 3878, 3888, 3890, 3892, 3935, 3952, 3966, 3967, 3968, 3969, 3970, 3971, 3972, 3974, 3975, 3976, 3977, 3978, 3979, 3980, 3982, 3983, 3984, 3985, 3986, 3989, 3990, 3991, 3992, 3993, 3994, 3996, 3997, 3998, 3999, 4000, 4001, 4002, 4006, 4007, 4008, 4010, 4011, 4012, 4016, 4023, 4024, 4025, 4037, 4044, 4046, 4047, 4049, 4055, 4056, 4072, 4073], ('O', 2, 'epoxidation'): [42, 209, 210, 238, 297, 298, 458, 502, 503, 504, 505, 506, 507, 508, 509, 510, 511, 512, 532, 817, 851, 945, 947, 948, 949, 964, 966, 967, 968, 1024, 1025, 1027, 1029, 1030, 1031, 1032, 1054, 1055, 1057, 1059, 1060, 1061, 1062, 1084, 1086, 1087, 1088, 1103, 1105, 1106, 1107, 1131, 1132, 1134, 1136, 1137, 1138, 1139, 1161, 1163, 1164, 1165, 1195, 1196, 1198, 1200, 1201, 1202, 1203, 1225, 1227, 1228, 1229, 1286, 1287, 1288, 1289, 1290, 1291, 1292, 1293, 1294, 1295, 1296, 1300, 1301, 1302, 1303, 1304, 1333, 1334, 1335, 1424, 1425, 1426, 1427, 1428, 1429, 1430, 1431, 1432, 1433, 1440, 1441, 1442, 1443, 1444, 1445, 1448, 1449, 1451, 1470, 1471, 1472, 1473, 1474, 1476, 1478, 1479, 1481, 1482, 1484, 1487, 1600, 1628, 1629, 1630, 1664, 1671, 1673, 1674, 1675, 1714, 1715, 1716, 1717, 1718, 1719, 1720, 1721, 1722, 1723, 1724, 1776, 1777, 1779, 1781, 1782, 1783, 1784, 1816, 1817, 1819, 1821, 1822, 1823, 1824, 1924, 1934, 1935, 1936, 1937, 1938, 1939, 1940, 1941, 1942, 1943, 1944, 1968, 1969, 1971, 1973, 1974, 1975, 1976, 1998, 1999, 2001, 2003, 2004, 2005, 2006, 2028, 2030, 2031, 2032, 2048, 2050, 2051, 2053, 2054, 2169, 2170, 2171, 2172, 2175, 2176, 2177, 2178, 2265, 2266, 2268, 2270, 2271, 2272, 2273, 2353, 2354, 2356, 2358, 2359, 2360, 2361, 2504, 2547, 2548, 2549, 2550, 2696, 2697, 2698, 2699, 2700, 2701, 2704, 2705, 2707, 2708, 2709, 2710, 2711, 2712, 2713, 2716, 2717, 2719, 2744, 2746, 2747, 2748, 2763, 2764, 2766, 2768, 2769, 2770, 2771, 2825, 2827, 2828, 2829, 2975, 2977, 2978, 2979, 2994, 2995, 2997, 2999, 3000, 3001, 3002, 3037, 3039, 3040, 3041, 3101, 3103, 3104, 3105, 3138, 3139, 3140, 3141, 3165, 3177, 3203, 3204, 3205, 3206, 3207, 3231, 3248, 3249, 3251, 3253, 3254, 3255, 3256, 3296, 3397, 3469, 3473, 3480, 3481, 3494, 3495, 3612, 3662, 3743, 3744, 3745, 3746, 3748, 3749, 3750, 3751, 3763, 3764, 3973, 3995, 4071], ('O', 1, 'O', 2): [29, 58, 63, 68, 69, 73, 74, 85, 86, 87, 88, 89, 90, 125, 126, 128, 129, 131, 132, 151, 152, 169, 181, 182, 183, 184, 194, 215, 225, 279, 280, 284, 285, 312, 318, 326, 339, 348, 351, 352, 360, 362, 380, 381, 385, 393, 394, 398, 415, 416, 420, 459, 479, 480, 481, 482, 483, 516, 517, 521, 577, 605, 607, 608, 610, 622, 623, 626, 633, 634, 635, 643, 644, 645, 646, 650, 658, 659, 663, 689, 701, 704, 761, 762, 766, 793, 835, 836, 840, 854, 855, 956, 975, 1013, 1044, 1074, 1095, 1114, 1151, 1172, 1215, 1236, 1319, 1348, 1395, 1403, 1404, 1408, 1415, 1418, 1446, 1458, 1459, 1521, 1522, 1526, 1554, 1565, 1567, 1568, 1569, 1572, 1580, 1582, 1583, 1584, 1587, 1607, 1637, 1682, 1745, 1746, 1755, 1836, 1863, 1864, 1893, 1894, 1898, 1905, 1906, 1910, 1988, 2018, 2039, 2066, 2099, 2101, 2196, 2198, 2200, 2202, 2204, 2230, 2232, 2234, 2236, 2238, 2240, 2242, 2249, 2253, 2285, 2297, 2298, 2302, 2312, 2314, 2315, 2316, 2319, 2327, 2373, 2386, 2388, 2395, 2411, 2413, 2433, 2435, 2449, 2451, 2459, 2463, 2464, 2468, 2498, 2501, 2522, 2523, 2527, 2554, 2564, 2565, 2569, 2576, 2577, 2581, 2586, 2595, 2598, 2669, 2670, 2702, 2714, 2755, 2783, 2795, 2796, 2797, 2798, 2813, 2836, 2843, 2844, 2848, 2855, 2856, 2860, 2877, 2878, 2882, 2890, 2906, 2953, 2954, 2986, 3014, 3027, 3028, 3048, 3060, 3061, 3065, 3076, 3078, 3112, 3145, 3153, 3155, 3163, 3184, 3185, 3189, 3195, 3211, 3222, 3223, 3268, 3298, 3305, 3308, 3309, 3334, 3335, 3344, 3356, 3357, 3358, 3362, 3415, 3420, 3421, 3459, 3460, 3464, 3500, 3538, 3539, 3543, 3548, 3549, 3562, 3563, 3564, 3565, 3566, 3567, 3581, 3622, 3627, 3640, 3642, 3643, 3644, 3647, 3684, 3691, 3692, 3693, 3761, 3762, 3880, 3881, 3882, 3886, 4013, 4014, 4031, 4063, 4075], ('O', 2, 'O', 1, 'O', 2): [534, 807, 942, 943, 944, 946, 961, 962, 963, 965, 1021, 1022, 1023, 1026, 1051, 1052, 1053, 1056, 1081, 1082, 1083, 1085, 1100, 1101, 1102, 1104, 1128, 1129, 1130, 1133, 1158, 1159, 1160, 1162, 1192, 1193, 1194, 1197, 1222, 1223, 1224, 1226, 1668, 1669, 1670, 1672, 1726, 1813, 1814, 1815, 1818, 1844, 1874, 1889, 1965, 1966, 1967, 1970, 1995, 1996, 1997, 2000, 2025, 2026, 2027, 2029, 2262, 2263, 2264, 2267, 2350, 2351, 2352, 2355, 2540, 2543, 2544, 2545, 2546, 2654, 2659, 2674, 2741, 2742, 2743, 2745, 2760, 2761, 2762, 2765, 2822, 2823, 2824, 2826, 2972, 2973, 2974, 2976, 2991, 2992, 2993, 2996, 3034, 3035, 3036, 3038, 3092, 3098, 3099, 3100, 3102, 3134, 3135, 3136, 3137, 3199, 3200, 3201, 3202, 3245, 3246, 3247, 3250, 3607, 3608, 3609, 3610, 3657, 3658, 3659, 3660], ('C', 1): [61, 295, 296, 386, 388, 390, 399, 401, 403, 421, 423, 425, 522, 524, 526, 651, 653, 655, 664, 666, 668, 767, 769, 771, 833, 841, 843, 1345, 1391, 1410, 1412, 1413, 1419, 1421, 1527, 1529, 1531, 1899, 1901, 1903, 1911, 1913, 1915, 2161, 2163, 2259, 2260, 2303, 2305, 2307, 2469, 2471, 2473, 2528, 2530, 2532, 2562, 2570, 2572, 2574, 2582, 2584, 2599, 2601, 2740, 2841, 2849, 2851, 2853, 2861, 2863, 2883, 2885, 2887, 2968, 3058, 3066, 3068, 3072, 3182, 3190, 3192, 3285, 3363, 3365, 3367, 3382, 3457, 3465, 3467, 3846, 3887, 3889, 3891], ('C', 3, 'O', 2): [382, 383, 384, 395, 396, 397, 417, 418, 419, 518, 519, 520, 647, 648, 649, 660, 661, 662, 763, 764, 765, 837, 838, 839, 852, 1405, 1406, 1407, 1416, 1417, 1456, 1523, 1524, 1525, 1743, 1861, 1895, 1896, 1897, 1907, 1908, 1909, 2299, 2300, 2301, 2465, 2466, 2467, 2524, 2525, 2526, 2566, 2567, 2568, 2578, 2579, 2580, 2596, 2597, 2845, 2846, 2847, 2857, 2858, 2859, 2879, 2880, 2881, 3025, 3062, 3063, 3064, 3186, 3187, 3188, 3220, 3332, 3359, 3360, 3361, 3461, 3462, 3463, 3883, 3884, 3885], ('C', 1, 'C', 4, 'O', 2, 'O', 1, 'O', 2): [893, 894, 929, 930, 1178, 1180, 1182, 1259, 1261, 1263, 1496, 1498, 1500, 1506, 1507, 1611, 1613, 1615, 1733, 1735, 1737, 1761, 1762, 2074, 2075, 2079, 2081, 2083, 2632, 2634, 2636, 2724, 2726, 2728, 3123, 3125, 3127, 3424, 3426, 3428, 3434, 3436, 3438, 3444, 3446, 3448, 3506, 3508, 3510, 3531, 3532, 3585, 3587, 3589, 3704, 3709, 3711, 3713, 3719, 3721, 3723, 3816, 3818, 3820], ('O', 2, 'oxidation'): [37, 40, 67, 70, 80, 81, 127, 130, 133, 231, 327, 363, 624, 627, 629, 631, 705, 848, 850, 1317, 1327, 1597, 1599, 1661, 1663, 1921, 1923, 1945, 1947, 2243, 2811, 2818, 2903, 2904, 2949, 3174, 3176, 3392, 3413, 3416, 3418, 3544, 3546, 3550, 3552, 3554, 3556, 3558, 3560, 3682, 3685, 3687, 3689, 3759, 4020], ('C', 1, 'O', 2, 'O', 1): [820, 821, 857, 858, 927, 928, 1461, 1462, 1604, 1605, 1656, 1657, 1748, 1749, 1866, 1867, 2077, 2078, 2128, 2129, 2139, 2140, 2141, 2142, 2143, 2144, 2649, 2650, 2651, 2652, 3030, 3031, 3225, 3226, 3293, 3294, 3337, 3338, 3518, 3519, 3527, 3528, 3529, 3530, 3595, 3596, 3987, 3988], 'ring': [176, 292, 330, 343, 344, 345, 346, 365, 452, 579, 580, 588, 686, 717, 718, 1357, 1358, 1360, 1361, 1729, 1847, 1877, 1892, 2257, 2258, 2662, 2677, 2735, 2736, 2737, 2738, 2870, 2909, 2910, 2911, 2912, 3572, 3614, 3664, 4061, 4062, 4074], 'double bond': [1, 25, 137, 237, 333, 585, 657, 738, 760, 902, 903, 1354, 1355, 1387, 1961, 2293, 2478, 2587, 2792, 2820, 2875, 3454, 3893, 4005, 4021, 4022], ('O', 1, 'O', 1): [247, 248, 249, 250, 262, 293, 321, 338, 453, 604, 749, 750, 993, 996, 1853, 1880, 1881, 1932, 1933, 2871, 2889, 3297, 3577, 3598, 3606, 3879], ('N', 4, 'C', 4, 'O', 1, 'O', 2, 'N', 3, 'O', 1): [7, 12, 984, 2810, 2897, 3277, 3278, 3575, 3576, 3681, 3698, 3699, 3807, 3808], ('C', 2, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2): [864, 1122, 1191, 1402, 1520, 2123, 2127, 2380, 2627, 2723, 3517, 3669, 3845], ('O', 1, 'C', 4, 'O', 1, 'C', 2, 'C', 2, 'C', 3, 'C', 1, 'C', 1, 'O', 2): [861, 1119, 1188, 1399, 1517, 2120, 2124, 2624, 2720, 3666, 3842], ('C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 2): [45, 46, 407, 408, 758, 759, 1349, 1350], 'central iron atom reduction': [224, 752, 754, 1538, 2691, 3390, 3754, 4009], (): [536, 809, 2542, 2656, 2936, 3094, 3574, 3697], ('O', 1, 'aromaticity change'): [1367, 1372, 1375, 1378, 1381, 1382, 1385, 1386], ('C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 2): [1728, 1846, 1876, 1891, 2661, 2676, 3613, 3663], ('C', 3, 'O', 2, 'O', 2, 'O', 1): [856, 1460, 1747, 1865, 3029, 3224, 3336], ('O', 2, 'O', 2): [160, 500, 737, 2499, 3423, 3981], ('O', 2, 'ring expansion'): [2816, 2907, 3568, 3569, 3570], ('N', 3, 'O', 1, 'O', 1, 'N', 3): [8, 879, 3329, 3330], ('C', 1, 'O', 1, 'C', 4, 'C', 1): [455, 456, 457, 3295], ('N', 3, 'C', 3, 'N', 2, 'C', 4, 'O', 2): [2496, 2868, 3386, 3635], ('C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 1, 'C', 3, 'C', 4, 'O', 1, 'C', 4, 'C', 4, 'O', 2): [3670, 3671, 3765, 3766], ('C', 3, 'C', 2, 'C', 2, 'C', 1, 'O', 1): [120, 124, 3782], ('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1, 'O', 1, 'C', 4, 'C', 2, 'C', 4, 'O', 2, 'O', 1, 'C', 1, 'O', 2): [140, 307, 592], ('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1, 'O', 1, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2): [141, 308, 593], ('C', 3, 'N', 2, 'C', 3, 'N', 3): [243, 584, 1363], ('C', 3, 'O', 1, 'C', 3, 'O', 2): [675, 1356, 1359], ('C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 3, 'C', 3, 'O', 1, 'N', 1, 'N', 4, 'C', 4, 'O', 2, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'C', 2, 'C', 4, 'O', 2, 'C', 4, 'C', 4, 'O', 2, 'P', 5, 'O', 1, 'O', 1, 'O', 2, 'C', 4, 'O', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'N', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 1): [41, 2503], ('C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 4, 'O', 1, 'O', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'O', 2, 'C', 1): [60, 309], ('C', 2, 'C', 4, 'C', 1, 'O', 1, 'C', 3, 'C', 2, 'C', 2): [123, 3781], ('C', 1, 'C', 1): [492, 493], ('O', 2): [722, 2158], ('C', 3, 'O', 1, 'C', 3): [1477, 1480], ('N', 4, 'N', 3, 'N', 2): [1665, 1666], ('O', 1, 'C', 1, 'O', 2, 'C', 2): [2337, 4045], ('C', 2, 'C', 2, 'O', 2): [122], ('C', 1, 'O', 1): [148], ('O', 1, 'O', 1, 'C', 1): [150], ('O', 2, 'O', 1, 'O', 1): [230], ('C', 4, 'O', 1, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 2): [342], ('C', 3, 'C', 4, 'O', 1, 'C', 3, 'O', 2, 'C', 3, 'C', 4, 'C', 1): [486], ('C', 4, 'N', 3, 'O', 1, 'N', 2): [676], ('O', 2, 'O', 2, 'O', 1, 'O', 1, 'O', 1, 'O', 1): [805], ('N', 3, 'O', 1, 'N', 3): [881], ('C', 4, 'N', 3, 'O', 1, 'C', 2, 'C', 4, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3): [918], ('C', 4, 'N', 3, 'O', 1, 'C', 2, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3): [919], ('C', 4, 'C', 4, 'C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 3, 'C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'C', 4, 'O', 1, 'O', 2, 'O', 1, 'O', 1, 'O', 2, 'C', 1): [1352], ('C', 3, 'C', 2, 'C', 4, 'C', 1, 'C', 4, 'C', 1, 'C', 3, 'C', 4, 'O', 1): [1366], ('C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4, 'C', 1, 'C', 1, 'C', 4): [1390], ('C', 1, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4): [1392], ('C', 1, 'C', 2): [1393], ('C', 1, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 4, 'O', 1, 'C', 4): [1394], ('C', 4, 'C', 3, 'C', 4, 'C', 2, 'C', 4, 'N', 4, 'C', 1, 'C', 2, 'C', 2, 'C', 4, 'C', 3, 'C', 4, 'O', 2, 'C', 1, 'C', 4, 'O', 1, 'C', 3, 'C', 4, 'C', 3, 'C', 3, 'C', 4, 'O', 1): [1872], ('N', 4, 'C', 4, 'C', 2, 'C', 2, 'C', 4, 'N', 2, 'C', 4, 'C', 2, 'S', 1, 'C', 4, 'O', 2, 'N', 2, 'C', 2, 'C', 4, 'O', 2, 'O', 1, 'C', 4, 'O', 2, 'O', 1): [1883], ('C', 4, 'C', 2, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'N', 3, 'C', 1, 'C', 2, 'C', 4, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'C', 3, 'O', 2): [1959], ('C', 2, '*', 1, 'O', 1, 'O', 2): [1960], ('C', 3, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 4, 'C', 2, 'C', 1, 'C', 1, 'C', 2, 'C', 2, 'O', 1, 'N', 1, 'N', 4, 'C', 4, 'O', 2, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'P', 5, 'O', 1, 'O', 2, 'O', 2, 'C', 2, 'C', 4, 'O', 2, 'C', 4, 'C', 4, 'O', 2, 'P', 5, 'O', 1, 'O', 1, 'O', 2, 'C', 4, 'O', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'N', 1, 'N', 3, 'C', 3, 'N', 3, 'C', 4, 'C', 4, 'O', 1, 'C', 4, 'O', 1): [2502], ('C', 1, 'C', 1, 'O', 2, 'C', 4, 'N', 3, 'C', 4, 'N', 2, 'C', 4, 'C', 4, 'N', 3, 'N', 3, 'C', 2, 'C', 4, 'C', 4, 'C', 4, 'C', 2, 'O', 2, 'P', 5, 'O', 2, 'O', 1, 'O', 1, 'O', 1, 'O', 1, 'O', 1, 'O', 2, 'O', 2): [3485], ('C', 4, 'C', 1, 'C', 1, 'O', 2, 'O', 2, 'C', 4, 'C', 1, 'C', 3): [3571], ('C', 1, 'C', 4, 'C', 1, 'C', 3, 'C', 2, 'C', 2, 'C', 4, 'C', 1, 'C', 3, 'C', 2, 'C', 2, 'C', 4, 'C', 1, 'C', 3, 'C', 2): [3760], ('O', 1, 'C', 4, 'O', 2): [3800], ('C', 4, 'N', 3, 'C', 4, 'O', 1, 'O', 2): [3801], ('C', 4, 'N', 3): [3802], ('C', 4, 'C', 1, 'N', 3, 'C', 1, 'N', 2): [3859]}\n"
     ]
    }
   ],
   "source": [
    "reactions, manually_altered_list = idenitfy_reactions(df2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {},
   "outputs": [],
   "source": [
    "reactions_df = create_csv(reactions, 'reactions_csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "3212\n",
      "16.158156911581557\n"
     ]
    },
    {
     "data": {
      "image/png": "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",
      "text/plain": [
       "<Figure size 640x480 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "import matplotlib.pyplot as plt\n",
    "labels = 'r1', 'r2' ,'r3', 'r4', 'r5','Other'\n",
    "sizes = []\n",
    "for i, row in reactions_df.iterrows():\n",
    "    sizes.append(row['Count'])\n",
    "total_recorded_reactions = sum(sizes)\n",
    "print(total_recorded_reactions)\n",
    "sizes_percentage = [x/32.12 for x in sizes[:5]]\n",
    "other = 100-sum(sizes_percentage)\n",
    "print(other)\n",
    "sizes_percentage.append(other)\n",
    "fig, ax = plt.subplots()\n",
    "wedges, texts, autotexts = ax.pie(sizes_percentage, autopct='%1.1f%%', textprops={'fontsize': 9}, pctdistance=0.8)\n",
    "ax.legend(wedges, labels, title=\"Reactions\", loc='upper left', bbox_to_anchor=(1, 0, 0.5, 1))\n",
    "ax.set_title(\"Reactions and their abuncance in CYP database\")\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "[86, 64, 55, 48, 42, 26, 26, 14, 13]\n",
      "[16.570327552986527, 12.331406551059741, 10.597302504816966, 9.248554913294807, 8.092485549132956, 5.009633911368019, 5.009633911368019, 2.6974951830443183, 30.44315992292863]\n",
      "30.44315992292863\n"
     ]
    },
    {
     "data": {
      "image/png": "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",
      "text/plain": [
       "<Figure size 640x480 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "labels2 = 'r6','r7','r8','r9','r10','r11','r12', 'r13', 'Other'\n",
    "print(sizes[5:14])\n",
    "sizes_percentage2 = [(x/32.12)/(other/100) for x in sizes[5:13]]\n",
    "other2 = 100-sum(sizes_percentage2)\n",
    "sizes_percentage2.append(other2)\n",
    "print(sizes_percentage2)\n",
    "print(other2)\n",
    "fig, ax = plt.subplots()\n",
    "colors = ['#FF5733', '#D433FF', '#3357FF', '#FF33A1', '#A1FF33', '#FFAF33', '#33FFD4', '#888888', '#333333']\n",
    "wedges, autotexts = ax.pie(sizes_percentage2, colors = colors, textprops={'fontsize': 8}, pctdistance=0.8)\n",
    "ax.legend(wedges, labels2, title=\"Reactions\", loc='upper left', bbox_to_anchor=(1, 0, 0.5, 1))\n",
    "plt.show()"
   ]
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.11.2"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 2
}