7259 lines
504 KiB
Plaintext
7259 lines
504 KiB
Plaintext
{
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"cells": [
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"# 12-20\u5143\u73af\u5927\u73af\u5185\u916f\u5206\u5b50\u5206\u6790 - \u4fee\u6b63\u7248\n",
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"\n",
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"\u672cnotebook\u7528\u4e8e\u5206\u6790 `data/ring12_20/temp.csv` \u4e2d\u768412-20\u5143\u73af\u5927\u73af\u5185\u916f\u5206\u5b50\uff1a\n",
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"1. \u6e05\u6d17\u548c\u8fc7\u6ee4\u6570\u636e\n",
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"2. \u8bc6\u522b\u73af\u7684\u5927\u5c0f\uff0812-20\u5143\u73af\uff09\n",
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"3. \u5904\u7406\u6865\u73af\u60c5\u51b5\n",
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"4. \u8fdb\u884c\u4fa7\u94fe\u65ad\u88c2\u5206\u6790\n",
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"5. \u7edf\u8ba1\u548c\u53ef\u89c6\u5316\u5206\u6790\u788e\u7247\u5206\u5e03\n",
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"6. \u4fdd\u5b58\u7ed3\u679c\u5230output\u76ee\u5f55\n",
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"\n",
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"**\u4fee\u590d\u5185\u5bb9\uff1a**\n",
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"- \u4fee\u6b63\u4e86\u6240\u6709\u6a21\u5757\u5bfc\u5165\u95ee\u9898\n",
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"- \u6dfb\u52a0\u4e86\u5b8c\u6574\u7684\u9519\u8bef\u5904\u7406\n",
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"- \u652f\u6301\u6240\u670912-20\u5143\u73af\u7684\u6279\u91cf\u5904\u7406\n",
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"- \u4f18\u5316\u4e86\u6865\u73af\u5206\u5b50\u5904\u7406\u903b\u8f91"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"## 1. \u5bfc\u5165\u5fc5\u8981\u7684\u5e93"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"## \ud83c\udd95 \u65b0\u7248\u672c\uff1a\u4f7f\u7528 MacroLactoneAnalyzer\n",
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"\n",
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"\u672cnotebook\u73b0\u5728\u4f7f\u7528\u65b0\u5c01\u88c5\u7684 `MacroLactoneAnalyzer` \u7c7b\u8fdb\u884c\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b\u3002\u8be5\u7c7b\u63d0\u4f9b\u4e86\u4ee5\u4e0b\u529f\u80fd\uff1a\n",
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"\n",
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"### \u4e3b\u8981\u7279\u6027\n",
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"- \ud83d\udd0d **\u73af\u6570\u8bc6\u522b**: \u81ea\u52a8\u8bc6\u522b\u5206\u5b50\u4e2d\u6240\u670912-20\u5143\u73af\u7684\u5927\u5c0f\n",
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"- \u2705 **\u6709\u6548\u6027\u9a8c\u8bc1**: \u9a8c\u8bc1\u662f\u5426\u4e3a\u6709\u6548\u7684\u5927\u73af\u5185\u916f\uff08\u542b\u6709\u916f\u952e\uff09\n",
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"- \ud83d\udcca **\u6279\u91cf\u5206\u6790**: \u652f\u6301\u5355\u5206\u5b50\u548c\u6279\u91cf\u5206\u5b50\u5206\u6790\n",
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"- \ud83d\udd00 **\u6865\u73af\u5904\u7406**: \u652f\u6301\u6865\u73af\u5206\u5b50\u7684\u7279\u6b8a\u5904\u7406\n",
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"- \ud83c\udfaf **SMARTS\u5339\u914d**: \u652f\u6301\u52a8\u6001SMARTS\u6a21\u5f0f\u5339\u914d\n",
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"- \ud83d\udcc8 **\u7edf\u8ba1\u5206\u6790**: \u63d0\u4f9b\u8be6\u7ec6\u7684\u7edf\u8ba1\u4fe1\u606f\n",
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"\n",
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"### \u4f7f\u7528\u65b9\u6cd5\n",
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"\n",
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"```python\n",
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"from src.macro_lactone_analyzer import MacroLactoneAnalyzer\n",
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"\n",
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"analyzer = MacroLactoneAnalyzer()\n",
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"\n",
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"# \u5355\u5206\u5b50\u5206\u6790\n",
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"result = analyzer.get_single_ring_info(smiles)\n",
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"\n",
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"# \u6279\u91cf\u5206\u6790\n",
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"stats = analyzer.analyze_list(smiles_list)\n",
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"\n",
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"# DataFrame\u5206\u7c7b\n",
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"ring_dfs, bridge_df = analyzer.classify_molecules(df, 'smiles', 'ID')\n",
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"```\n",
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"\n",
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"### \u8be6\u7ec6\u6587\u6863\n",
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"\u67e5\u770b [API\u53c2\u8003\u6587\u6863](http://localhost:8000/api/macro-lactone-analyzer.html) \u83b7\u53d6\u5b8c\u6574\u7684\u4f7f\u7528\u8bf4\u660e\u3002\n",
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"\n",
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"---"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 1,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"\u2705 \u6240\u6709\u6a21\u5757\u5bfc\u5165\u6210\u529f!\n",
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"\u9879\u76ee\u6839\u76ee\u5f55: /home/zly/project/macro_split\n",
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"\u652f\u6301\u73af\u5927\u5c0f: [12, 13, 14, 15, 16, 17, 18, 19, 20]\n"
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]
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}
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],
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"source": [
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"import sys\n",
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"from pathlib import Path\n",
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"import warnings\n",
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"warnings.filterwarnings('ignore')\n",
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"\n",
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"# \u6dfb\u52a0\u9879\u76ee\u6839\u76ee\u5f55\u5230 Python \u8def\u5f84\n",
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"notebook_dir = Path().resolve()\n",
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"project_root = notebook_dir.parent\n",
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"sys.path.insert(0, str(project_root))\n",
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"\n",
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"# \u5bfc\u5165RDKit\u548c\u76f8\u5173\u5e93\n",
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"from rdkit import Chem\n",
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"from rdkit.Chem import Descriptors, Crippen, QED, AllChem\n",
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"from rdkit.Chem import Draw\n",
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"from rdkit.Chem.Draw import rdMolDraw2D\n",
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"from IPython.display import SVG, display\n",
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"import pandas as pd\n",
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"import numpy as np\n",
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"from typing import List, Dict, Tuple, Optional, Set\n",
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"import json\n",
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"from collections import defaultdict\n",
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"\n",
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"# \u5bfc\u5165\u9879\u76ee\u6a21\u5757\n",
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"from src.macrolactone_fragmenter import MacrolactoneFragmenter\n",
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"from src.ring_visualization import get_macrolactone_numbering, get_ring_atoms_by_size\n",
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"from src.fragment_dataclass import Fragment, MoleculeFragments\n",
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"\n",
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"print(\"\u2705 \u6240\u6709\u6a21\u5757\u5bfc\u5165\u6210\u529f!\")\n",
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"print(f\"\u9879\u76ee\u6839\u76ee\u5f55: {project_root}\")\n",
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"print(f\"\u652f\u6301\u73af\u5927\u5c0f: {sorted(MacrolactoneFragmenter.DEFAULT_SMARTS.keys())}\")"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"## 2. \u5b9a\u4e49\u73af\u6570\u8bc6\u522b\u51fd\u6570"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 2,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"\u2705 \u73af\u6570\u5206\u7c7b\u51fd\u6570\u5b9a\u4e49\u5b8c\u6210\uff01\n",
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"\u4f7f\u7528 classify_molecules_by_ring_size(df) \u8fdb\u884c\u5206\u7c7b\n"
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]
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}
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],
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"source": [
|
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"# \u4f7f\u7528\u65b0\u5c01\u88c5\u7684 MacroLactoneAnalyzer \u8fdb\u884c\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b\n",
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"print(\"\u2705 \u73af\u6570\u5206\u7c7b\u51fd\u6570\u5df2\u5c01\u88c5\u5230 src/macro_lactone_analyzer.py\")\n",
|
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"print(\"\u4f7f\u7528 MacroLactoneAnalyzer().classify_molecules(df) \u8fdb\u884c\u5206\u7c7b\")\n",
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"\n",
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"# \u521b\u5efa\u5206\u6790\u5668\u5b9e\u4f8b\n",
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"analyzer = MacroLactoneAnalyzer()\n",
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"\n",
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"# \u5355\u5206\u5b50\u5206\u6790\u793a\u4f8b\n",
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"test_smiles = \"O=C1CCCCCCCC(=O)OCC/C=C/C=C/1\"\n",
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"result = analyzer.get_single_ring_info(test_smiles)\n",
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"print(f\"\\n\u6d4b\u8bd5\u5206\u5b50: {test_smiles[:30]}...\")\n",
|
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"if result:\n",
|
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" print(f\" \u2713 \u53d1\u73b0\u5927\u73af\u5185\u916f\uff0c\u73af\u5927\u5c0f: {result['valid_sizes']}\")\n",
|
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" print(f\" \u662f\u5426\u6865\u73af: {result['is_bridge']}\")\n",
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"else:\n",
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" print(f\" \u2717 \u672a\u53d1\u73b0\u5927\u73af\u5185\u916f\")"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
|
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"## 3. \u8bfb\u53d6\u548c\u6e05\u6d17\u6570\u636e"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 3,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"\u8bfb\u53d6\u6570\u636e\u96c6: 11036 \u4e2a\u5206\u5b50\n",
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"\u5217\u540d: ['IDs', 'molecule_pref_name', 'max_pChEMBL', 'max_pChEMBL_target', '# Target Organisms', 'Target Organisms', '# Known Targets', 'Known Targets', 'target_pref_name', 'smiles']\n",
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"\n",
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"\u524d5\u884c:\n"
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]
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},
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{
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"data": {
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"text/html": [
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"<div>\n",
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"<style scoped>\n",
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" .dataframe tbody tr th:only-of-type {\n",
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" vertical-align: middle;\n",
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" }\n",
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"\n",
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" .dataframe tbody tr th {\n",
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" vertical-align: top;\n",
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" }\n",
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"\n",
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" .dataframe thead th {\n",
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" text-align: right;\n",
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" }\n",
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"</style>\n",
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"<table border=\"1\" class=\"dataframe\">\n",
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" <thead>\n",
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" <tr style=\"text-align: right;\">\n",
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" <th></th>\n",
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" <th>IDs</th>\n",
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" <th>molecule_pref_name</th>\n",
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" <th>max_pChEMBL</th>\n",
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" <th>max_pChEMBL_target</th>\n",
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" <th># Target Organisms</th>\n",
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" <th>Target Organisms</th>\n",
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" <th># Known Targets</th>\n",
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" <th>Known Targets</th>\n",
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" <th>target_pref_name</th>\n",
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" <th>smiles</th>\n",
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" </tr>\n",
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" </thead>\n",
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" <tbody>\n",
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" <tr>\n",
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" <th>0</th>\n",
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" <td>CHEMBL94657</td>\n",
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" <td>PATUPILONE</td>\n",
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" <td>10.67</td>\n",
|
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" <td>CHEMBL1075590</td>\n",
|
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" <td>695</td>\n",
|
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" <td>Sus scrofa, Mus musculus, None, Plasmodium fal...</td>\n",
|
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" <td>695</td>\n",
|
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" <td>CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE...</td>\n",
|
|
" <td>AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6...</td>\n",
|
|
" <td>C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[...</td>\n",
|
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" </tr>\n",
|
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" <tr>\n",
|
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" <th>1</th>\n",
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" <td>CHEMBL94657</td>\n",
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" <td>PATUPILONE</td>\n",
|
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" <td>10.67</td>\n",
|
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" <td>CHEMBL1075590</td>\n",
|
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" <td>695</td>\n",
|
|
" <td>Sus scrofa, Mus musculus, None, Plasmodium fal...</td>\n",
|
|
" <td>695</td>\n",
|
|
" <td>CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE...</td>\n",
|
|
" <td>AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6...</td>\n",
|
|
" <td>C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[...</td>\n",
|
|
" </tr>\n",
|
|
" <tr>\n",
|
|
" <th>2</th>\n",
|
|
" <td>CHEMBL449158</td>\n",
|
|
" <td>BRYOSTATIN</td>\n",
|
|
" <td>9.36</td>\n",
|
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" <td>CHEMBL2996</td>\n",
|
|
" <td>664</td>\n",
|
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" <td>Homo sapiens, None, Rattus norvegicus</td>\n",
|
|
" <td>664</td>\n",
|
|
" <td>CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE...</td>\n",
|
|
" <td>AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6...</td>\n",
|
|
" <td>CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C...</td>\n",
|
|
" </tr>\n",
|
|
" <tr>\n",
|
|
" <th>3</th>\n",
|
|
" <td>CHEMBL1554</td>\n",
|
|
" <td>DACTINOMYCIN</td>\n",
|
|
" <td>10.10</td>\n",
|
|
" <td>CHEMBL614533</td>\n",
|
|
" <td>177</td>\n",
|
|
" <td>Giardia intestinalis, Trypanosoma cruzi, Equus...</td>\n",
|
|
" <td>177</td>\n",
|
|
" <td>CHEMBL388, CHEMBL614151, CHEMBL3577, CHEMBL551...</td>\n",
|
|
" <td>HT-29, CCRF-CEM, WIL2-NS, Unchecked, Caspase-7...</td>\n",
|
|
" <td>Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C...</td>\n",
|
|
" </tr>\n",
|
|
" <tr>\n",
|
|
" <th>4</th>\n",
|
|
" <td>CHEMBL529</td>\n",
|
|
" <td>AZITHROMYCIN</td>\n",
|
|
" <td>8.59</td>\n",
|
|
" <td>CHEMBL3301413</td>\n",
|
|
" <td>70</td>\n",
|
|
" <td>None, Plasmodium falciparum, Escherichia coli,...</td>\n",
|
|
" <td>70</td>\n",
|
|
" <td>CHEMBL347, CHEMBL612313, CHEMBL354, CHEMBL3301...</td>\n",
|
|
" <td>Streptococcus, Unchecked, Cytochrome P450 3A4,...</td>\n",
|
|
" <td>CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(...</td>\n",
|
|
" </tr>\n",
|
|
" </tbody>\n",
|
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"</table>\n",
|
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"</div>"
|
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],
|
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"text/plain": [
|
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" IDs molecule_pref_name max_pChEMBL max_pChEMBL_target \\\n",
|
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"0 CHEMBL94657 PATUPILONE 10.67 CHEMBL1075590 \n",
|
|
"1 CHEMBL94657 PATUPILONE 10.67 CHEMBL1075590 \n",
|
|
"2 CHEMBL449158 BRYOSTATIN 9.36 CHEMBL2996 \n",
|
|
"3 CHEMBL1554 DACTINOMYCIN 10.10 CHEMBL614533 \n",
|
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"4 CHEMBL529 AZITHROMYCIN 8.59 CHEMBL3301413 \n",
|
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"\n",
|
|
" # Target Organisms Target Organisms \\\n",
|
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"0 695 Sus scrofa, Mus musculus, None, Plasmodium fal... \n",
|
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"1 695 Sus scrofa, Mus musculus, None, Plasmodium fal... \n",
|
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"2 664 Homo sapiens, None, Rattus norvegicus \n",
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"3 177 Giardia intestinalis, Trypanosoma cruzi, Equus... \n",
|
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"4 70 None, Plasmodium falciparum, Escherichia coli,... \n",
|
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"\n",
|
|
" # Known Targets Known Targets \\\n",
|
|
"0 695 CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE... \n",
|
|
"1 695 CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE... \n",
|
|
"2 664 CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE... \n",
|
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"3 177 CHEMBL388, CHEMBL614151, CHEMBL3577, CHEMBL551... \n",
|
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"4 70 CHEMBL347, CHEMBL612313, CHEMBL354, CHEMBL3301... \n",
|
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"\n",
|
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" target_pref_name \\\n",
|
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"0 AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6... \n",
|
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"1 AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6... \n",
|
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"2 AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6... \n",
|
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"3 HT-29, CCRF-CEM, WIL2-NS, Unchecked, Caspase-7... \n",
|
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"4 Streptococcus, Unchecked, Cytochrome P450 3A4,... \n",
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"\n",
|
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" smiles \n",
|
|
"0 C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[... \n",
|
|
"1 C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[... \n",
|
|
"2 CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C... \n",
|
|
"3 Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C... \n",
|
|
"4 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(... "
|
|
]
|
|
},
|
|
"execution_count": 3,
|
|
"metadata": {},
|
|
"output_type": "execute_result"
|
|
}
|
|
],
|
|
"source": [
|
|
"# \u8bfb\u53d6\u6570\u636e\n",
|
|
"csv_file = project_root / 'data' / 'ring12_20' / 'temp.csv'\n",
|
|
"df = pd.read_csv(csv_file)\n",
|
|
"\n",
|
|
"print(f\"\u8bfb\u53d6\u6570\u636e\u96c6: {len(df)} \u4e2a\u5206\u5b50\")\n",
|
|
"print(f\"\u5217\u540d: {df.columns.tolist()}\")\n",
|
|
"print(f\"\\n\u524d5\u884c:\")\n",
|
|
"df.head()"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "markdown",
|
|
"metadata": {},
|
|
"source": [
|
|
"## 4. \u6267\u884c\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "code",
|
|
"execution_count": 4,
|
|
"metadata": {},
|
|
"outputs": [
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"\u5f00\u59cb\u5bf9 11036 \u4e2a\u5206\u5b50\u8fdb\u884c\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"\u5df2\u5904\u7406 100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 1900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 2900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 3900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 4900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 5900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 6900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 7900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 8900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 9900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10100/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10200/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10300/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10400/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10500/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10600/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10700/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10800/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 10900/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\u5df2\u5904\u7406 11000/11036 \u4e2a\u5206\u5b50...\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b\u7ed3\u679c:\n",
|
|
"============================================================\n",
|
|
"\u603b\u5904\u7406\u5206\u5b50\u6570: 11036\n",
|
|
"\u65e0\u6709\u6548\u73af\u5206\u5b50: 11\n",
|
|
"\u6865\u73af\u5206\u5b50\uff08\u591a\u4e2a\u73af\u6570\uff09: 114\n",
|
|
"\n",
|
|
"\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6570:\n",
|
|
" 12\u5143\u73af: 1423 \u4e2a\u5206\u5b50\n",
|
|
" 13\u5143\u73af: 679 \u4e2a\u5206\u5b50\n",
|
|
" 14\u5143\u73af: 3050 \u4e2a\u5206\u5b50\n",
|
|
" 15\u5143\u73af: 1603 \u4e2a\u5206\u5b50\n",
|
|
" 16\u5143\u73af: 2049 \u4e2a\u5206\u5b50\n",
|
|
" 17\u5143\u73af: 199 \u4e2a\u5206\u5b50\n",
|
|
" 18\u5143\u73af: 810 \u4e2a\u5206\u5b50\n",
|
|
" 19\u5143\u73af: 855 \u4e2a\u5206\u5b50\n",
|
|
" 20\u5143\u73af: 243 \u4e2a\u5206\u5b50\n",
|
|
"============================================================\n",
|
|
"\n",
|
|
"\u2705 \u5206\u7c7b\u5b8c\u6210\n",
|
|
" \u6709\u6548\u5927\u73af\u5185\u916f: 10911 \u4e2a\n",
|
|
" \u6865\u73af\u5206\u5b50: 114 \u4e2a\n",
|
|
"\n",
|
|
"\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6570\u5206\u5e03:\n",
|
|
" 12\u5143\u73af: 1423 \u4e2a\u5206\u5b50\n",
|
|
" 13\u5143\u73af: 679 \u4e2a\u5206\u5b50\n",
|
|
" 14\u5143\u73af: 3050 \u4e2a\u5206\u5b50\n",
|
|
" 15\u5143\u73af: 1603 \u4e2a\u5206\u5b50\n",
|
|
" 16\u5143\u73af: 2049 \u4e2a\u5206\u5b50\n",
|
|
" 17\u5143\u73af: 199 \u4e2a\u5206\u5b50\n",
|
|
" 18\u5143\u73af: 810 \u4e2a\u5206\u5b50\n",
|
|
" 19\u5143\u73af: 855 \u4e2a\u5206\u5b50\n",
|
|
" 20\u5143\u73af: 243 \u4e2a\u5206\u5b50\n"
|
|
]
|
|
}
|
|
],
|
|
"source": [
|
|
"# \u4f7f\u7528\u65b0\u5c01\u88c5\u7684 MacroLactoneAnalyzer \u8fdb\u884c\u6570\u636e\u6e05\u6d17\u548c\u5206\u7c7b\n",
|
|
"ring_size_dfs, ambiguous_df = analyzer.classify_molecules(\n",
|
|
" df,\n",
|
|
" smiles_column='smiles',\n",
|
|
" id_column='IDs'\n",
|
|
")\n",
|
|
"\n",
|
|
"# \u63d0\u53d6\u6709\u6548\u5206\u5b50\uff08\u5355\u73af\uff09\n",
|
|
"df_valid = pd.DataFrame()\n",
|
|
"for size, df_size in ring_size_dfs.items():\n",
|
|
" if not df_size.empty:\n",
|
|
" df_valid = pd.concat([df_valid, df_size], ignore_index=True)\n",
|
|
"\n",
|
|
"# \u6865\u73af\u5206\u5b50\n",
|
|
"df_bridge = ambiguous_df\n",
|
|
"\n",
|
|
"print(f\"\\n\u2705 \u5206\u7c7b\u5b8c\u6210\")\n",
|
|
"print(f\" \u6709\u6548\u5927\u73af\u5185\u916f: {len(df_valid)} \u4e2a\")\n",
|
|
"print(f\" \u6865\u73af\u5206\u5b50: {len(df_bridge)} \u4e2a\")\n",
|
|
"\n",
|
|
"# \u663e\u793a\u5404\u73af\u5927\u5c0f\u7edf\u8ba1\n",
|
|
"if len(df_valid) > 0:\n",
|
|
" print(f\"\\n\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6570\u5206\u5e03:\")\n",
|
|
" ring_counts = df_valid['ring_size'].value_counts().sort_index()\n",
|
|
" for ring_size, count in ring_counts.items():\n",
|
|
" print(f\" {ring_size}\u5143\u73af: {count} \u4e2a\u5206\u5b50\")"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "markdown",
|
|
"metadata": {},
|
|
"source": [
|
|
"## 5. \u6279\u91cf\u5904\u7406\u4fa7\u94fe\u65ad\u88c2"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "code",
|
|
"execution_count": 5,
|
|
"metadata": {},
|
|
"outputs": [
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"\n",
|
|
"================================================================================\n",
|
|
"\u7b2c5\u6b65\uff1a\u6279\u91cf\u5904\u7406\u4fa7\u94fe\u65ad\u88c2\n",
|
|
"================================================================================\n",
|
|
"MacrolactoneFragmenter \u652f\u6301\u7684\u73af\u5927\u5c0f: [12, 13, 14, 15, 16, 17, 18, 19, 20]\n",
|
|
"\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u5904\u7406 12 \u5143\u73af\u5927\u73af\u5185\u916f\n",
|
|
"============================================================\n",
|
|
" \u627e\u5230 1423 \u4e2a 12 \u5143\u73af\u5206\u5b50\n",
|
|
" \u2713 \u6210\u529f\u521b\u5efa 12 \u5143\u73af\u65ad\u88c2\u5668\n",
|
|
" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
|
|
" \u2713 \u5b8c\u6210 1423 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
|
|
" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:43] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:44] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:44] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:44] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:44] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:44] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 5 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 7 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 9 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 7 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 9 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 8 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 10 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 7 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 9 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 7 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 7 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:45] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 1 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 1 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 1 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:46] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 3 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 7 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 9 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:47] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:48] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u2713 \u5904\u7406\u5b8c\u6210: 1423 \u5206\u5b50, 7580 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u5904\u7406 13 \u5143\u73af\u5927\u73af\u5185\u916f\n",
|
|
"============================================================\n",
|
|
" \u627e\u5230 679 \u4e2a 13 \u5143\u73af\u5206\u5b50\n",
|
|
" \u2713 \u6210\u529f\u521b\u5efa 13 \u5143\u73af\u65ad\u88c2\u5668\n",
|
|
" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
|
|
" \u2713 \u5b8c\u6210 679 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
|
|
" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 2 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5\n",
|
|
"[21:07:52] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5\n",
|
|
"[21:07:52] non-ring atom 12 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 12 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 8 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 10 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 12 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 12 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 8 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 10 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:52] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:53] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n",
|
|
"[21:07:53] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n",
|
|
"[21:07:53] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:53] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 4 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:07:53] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n",
|
|
"[21:07:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8\n",
|
|
"[21:07:54] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:54] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:54] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:54] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:07:54] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u2713 \u5904\u7406\u5b8c\u6210: 679 \u5206\u5b50, 4132 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u5904\u7406 14 \u5143\u73af\u5927\u73af\u5185\u916f\n",
|
|
"============================================================\n",
|
|
" \u627e\u5230 3050 \u4e2a 14 \u5143\u73af\u5206\u5b50\n",
|
|
" \u2713 \u6210\u529f\u521b\u5efa 14 \u5143\u73af\u65ad\u88c2\u5668\n",
|
|
" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
|
|
" \u2713 \u5b8c\u6210 3050 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
|
|
" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:09] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6\n",
|
|
"[21:08:09] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 11 12 13 14\n",
|
|
"[21:08:10] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 3 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] Can't kekulize mol. Unkekulized atoms: 3 4 5 6 7 8 9 10 11\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] Can't kekulize mol. Unkekulized atoms: 4 5 6 7 8 9 10 11 12\n",
|
|
"[21:08:10] Can't kekulize mol. Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:10] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 13 14 15 16 17\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 13 14 15 16 17\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:11] Can't kekulize mol. Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:11] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] Can't kekulize mol. Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
|
|
"[21:08:12] Can't kekulize mol. Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:12] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] Can't kekulize mol. Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:13] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:14] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:15] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:15] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:15] Can't kekulize mol. Unkekulized atoms: 4 5 6 7 8 9 10 11 12\n",
|
|
"[21:08:15] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 11 12 13 14\n",
|
|
"[21:08:15] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 11 12 13 14\n",
|
|
"[21:08:15] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:15] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:15] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:15] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:15] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 17 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:16] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] Can't kekulize mol. Unkekulized atoms: 4 5 6 7 8\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:17] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 17 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] Can't kekulize mol. Unkekulized atoms: 4 5 6 7 8 9 10 11 12\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:18] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] Can't kekulize mol. Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:19] Can't kekulize mol. Unkekulized atoms: 0 1 2 4 5 6 7 8 9\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 1 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:19] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:20] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:21] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:21] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:22] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u2713 \u5904\u7406\u5b8c\u6210: 3050 \u5206\u5b50, 29571 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u5904\u7406 15 \u5143\u73af\u5927\u73af\u5185\u916f\n",
|
|
"============================================================\n",
|
|
" \u627e\u5230 1603 \u4e2a 15 \u5143\u73af\u5206\u5b50\n",
|
|
" \u2713 \u6210\u529f\u521b\u5efa 15 \u5143\u73af\u65ad\u88c2\u5668\n",
|
|
" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
|
|
" \u2713 \u5b8c\u6210 1603 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
|
|
" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:08:32] Can't kekulize mol. Unkekulized atoms: 1 3 4 5 6\n",
|
|
"[21:08:32] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6\n",
|
|
"[21:08:32] Can't kekulize mol. Unkekulized atoms: 1 3 4 5 6\n",
|
|
"[21:08:32] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6\n",
|
|
"[21:08:32] Can't kekulize mol. Unkekulized atoms: 1 3 4 5 6\n",
|
|
"[21:08:32] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] Can't kekulize mol. Unkekulized atoms: 1 3 4 5 6\n",
|
|
"[21:08:33] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] Can't kekulize mol. Unkekulized atoms: 11 12 13 14 15 16 17 18 19\n",
|
|
"[21:08:33] Can't kekulize mol. Unkekulized atoms: 11 12 13 14 15 16 17 18 19\n",
|
|
"[21:08:33] Can't kekulize mol. Unkekulized atoms: 11 12 13 14 15 16 17 18 19\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] Can't kekulize mol. Unkekulized atoms: 14 15 16 17 18 19 20 21 22\n",
|
|
"[21:08:33] Can't kekulize mol. Unkekulized atoms: 14 15 16 17 18 19 20 21 22\n",
|
|
"[21:08:33] Can't kekulize mol. Unkekulized atoms: 14 15 16 17 18 19 20 21 22\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:33] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 5 6 7 8 9 10 11 12 14\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 5 6 7 8 9 10 11 12 14\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 10 11 12 13 14 15 16 17 18\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 10 11 12 13 14 15 16 17 18\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 10 11 12 13 14 15 16 17 18\n",
|
|
"[21:08:34] Can't kekulize mol. Unkekulized atoms: 10 11 12 13 14 15 16 17 18\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:34] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] Can't kekulize mol. Unkekulized atoms: 10 11 12 13 14\n",
|
|
"[21:08:35] Can't kekulize mol. Unkekulized atoms: 10 11 12 13 14\n",
|
|
"[21:08:35] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:35] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:36] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] Can't kekulize mol. Unkekulized atoms: 4 5 6 7 8 9 10 11 12\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:37] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:38] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 15 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 15 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 14 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 14 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] Can't kekulize mol. Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:39] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 18 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 18 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 18 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 18 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:40] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u2713 \u5904\u7406\u5b8c\u6210: 1603 \u5206\u5b50, 17561 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u5904\u7406 16 \u5143\u73af\u5927\u73af\u5185\u916f\n",
|
|
"============================================================\n",
|
|
" \u627e\u5230 2049 \u4e2a 16 \u5143\u73af\u5206\u5b50\n",
|
|
" \u2713 \u6210\u529f\u521b\u5efa 16 \u5143\u73af\u65ad\u88c2\u5668\n",
|
|
" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
|
|
" \u2713 \u5b8c\u6210 2049 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
|
|
" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:48] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] Can't kekulize mol. Unkekulized atoms: 4 7 8 9 10\n",
|
|
"[21:08:49] Can't kekulize mol. Unkekulized atoms: 4 7 8 9 10\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 4 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] Can't kekulize mol. Unkekulized atoms: 4 7 8 9 10\n",
|
|
"[21:08:49] Can't kekulize mol. Unkekulized atoms: 4 7 8 9 10\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:49] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u8b66\u544a\uff1a\u5206\u5b50 CHEMBL1908336 \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 24 28 29 34 35 36 41 42 45\n",
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 24 28 29 34 35 36 41 42 46\n",
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 24 28 29 34 35 36 41 42 46\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:50] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:50] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n",
|
|
" \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:08:51] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5\n",
|
|
"[21:08:51] Can't kekulize mol. Unkekulized atoms: 12 15 16 18 19\n",
|
|
"[21:08:51] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5\n",
|
|
"[21:08:51] Can't kekulize mol. Unkekulized atoms: 12 15 16 18 19\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 24 28 29 34 35 36 40 41 44\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 47 53 54 57 58\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 17 21 22 28 29\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 17 21 22 28 29\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 33 36 37 42 43\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 24 28 29 34 35 36 41 42 46\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 11 14 15 17 18\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 11 14 15 17 18\n",
|
|
"[21:08:52] Can't kekulize mol. Unkekulized atoms: 11 14 15 17 18\n",
|
|
"[21:08:53] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n",
|
|
" \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:53] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:54] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:55] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u2713 \u5904\u7406\u5b8c\u6210: 2043 \u5206\u5b50, 16309 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u5904\u7406 17 \u5143\u73af\u5927\u73af\u5185\u916f\n",
|
|
"============================================================\n",
|
|
" \u627e\u5230 199 \u4e2a 17 \u5143\u73af\u5206\u5b50\n",
|
|
" \u2713 \u6210\u529f\u521b\u5efa 17 \u5143\u73af\u65ad\u88c2\u5668\n",
|
|
" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
|
|
" \u2713 \u5b8c\u6210 199 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
|
|
" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 36 40 41 48 49\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 5 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 6 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 3 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 3 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 3 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 7 marked aromatic\n",
|
|
"[21:08:56] non-ring atom 3 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u2713 \u5904\u7406\u5b8c\u6210: 199 \u5206\u5b50, 1279 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u5904\u7406 18 \u5143\u73af\u5927\u73af\u5185\u916f\n",
|
|
"============================================================\n",
|
|
" \u627e\u5230 810 \u4e2a 18 \u5143\u73af\u5206\u5b50\n",
|
|
" \u2713 \u6210\u529f\u521b\u5efa 18 \u5143\u73af\u65ad\u88c2\u5668\n",
|
|
" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
|
|
" \u2713 \u5b8c\u6210 810 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
|
|
" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 1 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 5 6 7 8\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:59] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:59] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:59] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:59] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:08:59] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 5 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 4 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:00] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 2 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 5 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 4 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:01] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:01] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 2 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 2 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 2 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 2 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 2 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 2 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:01] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:02] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:02] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u2713 \u5904\u7406\u5b8c\u6210: 810 \u5206\u5b50, 7306 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u5904\u7406 19 \u5143\u73af\u5927\u73af\u5185\u916f\n",
|
|
"============================================================\n",
|
|
" \u627e\u5230 855 \u4e2a 19 \u5143\u73af\u5206\u5b50\n",
|
|
" \u2713 \u6210\u529f\u521b\u5efa 19 \u5143\u73af\u65ad\u88c2\u5668\n",
|
|
" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
|
|
" \u2713 \u5b8c\u6210 855 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
|
|
" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] Can't kekulize mol. Unkekulized atoms: 3 5 6 7 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:09:04] Can't kekulize mol. Unkekulized atoms: 2 4 5 7 8 9 10 11 12 13 14 15 16\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 2 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:04] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 24 28 29 34 35 36 41 42 45\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 24 28 29 34 35 36 40 41 44\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:05] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:05] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:06] Can't kekulize mol. Unkekulized atoms: 24 28 29 34 35 36 41 42 45\n",
|
|
"[21:09:06] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:06] Can't kekulize mol. Unkekulized atoms: 22 27 28 30 31 32 35 36 42\n",
|
|
"[21:09:06] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:06] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:06] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:06] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:06] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 2 3 4 6 7 8 9 10 11\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 0 1 4 5 7 8 9 10 11\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] Can't kekulize mol. Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:07] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u2713 \u5904\u7406\u5b8c\u6210: 855 \u5206\u5b50, 10041 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"============================================================\n",
|
|
"\u5904\u7406 20 \u5143\u73af\u5927\u73af\u5185\u916f\n",
|
|
"============================================================\n",
|
|
" \u627e\u5230 243 \u4e2a 20 \u5143\u73af\u5206\u5b50\n",
|
|
" \u2713 \u6210\u529f\u521b\u5efa 20 \u5143\u73af\u65ad\u88c2\u5668\n",
|
|
" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
|
|
" \u2713 \u5b8c\u6210 243 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
|
|
" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] Can't kekulize mol. Unkekulized atoms: 12 13 14 15 16 17 18 19 20\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:08] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
" \u2713 \u5904\u7406\u5b8c\u6210: 243 \u5206\u5b50, 2282 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"================================================================================\n",
|
|
"\u6279\u91cf\u5904\u7406\u5b8c\u6210\u7edf\u8ba1:\n",
|
|
" 12\u5143\u73af: 1423 \u5206\u5b50, 7580 \u4e2a\u788e\u7247\n",
|
|
" 13\u5143\u73af: 679 \u5206\u5b50, 4132 \u4e2a\u788e\u7247\n",
|
|
" 14\u5143\u73af: 3050 \u5206\u5b50, 29571 \u4e2a\u788e\u7247\n",
|
|
" 15\u5143\u73af: 1603 \u5206\u5b50, 17561 \u4e2a\u788e\u7247\n",
|
|
" 16\u5143\u73af: 2043 \u5206\u5b50, 16309 \u4e2a\u788e\u7247\n",
|
|
" 17\u5143\u73af: 199 \u5206\u5b50, 1279 \u4e2a\u788e\u7247\n",
|
|
" 18\u5143\u73af: 810 \u5206\u5b50, 7306 \u4e2a\u788e\u7247\n",
|
|
" 19\u5143\u73af: 855 \u5206\u5b50, 10041 \u4e2a\u788e\u7247\n",
|
|
" 20\u5143\u73af: 243 \u5206\u5b50, 2282 \u4e2a\u788e\u7247\n",
|
|
"================================================================================\n",
|
|
"\n",
|
|
"\u26a0\ufe0f \u8b66\u544a: 6 \u4e2a\u5206\u5b50\u5904\u7406\u5931\u8d25\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 1 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 2 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 3 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 3 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:09] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
}
|
|
],
|
|
"source": [
|
|
"print(\"\\n\" + \"=\"*80)\n",
|
|
"print(\"\u7b2c5\u6b65\uff1a\u6279\u91cf\u5904\u7406\u4fa7\u94fe\u65ad\u88c2\")\n",
|
|
"print(\"=\"*80)\n",
|
|
"\n",
|
|
"# \u9a8c\u8bc1 MacrolactoneFragmenter \u652f\u6301\u7684\u73af\u5927\u5c0f\n",
|
|
"print(f\"MacrolactoneFragmenter \u652f\u6301\u7684\u73af\u5927\u5c0f: {sorted(MacrolactoneFragmenter.DEFAULT_SMARTS.keys())}\")\n",
|
|
"print()\n",
|
|
"\n",
|
|
"all_fragments_results = {}\n",
|
|
"all_molecular_properties = {}\n",
|
|
"failed_molecules = []\n",
|
|
"\n",
|
|
"# \u5904\u7406\u7b56\u7565\uff1a\u4e3a\u6bcf\u4e2a\u73af\u5927\u5c0f\u5355\u72ec\u5904\u7406\n",
|
|
"for ring_size in range(12, 21): # 12-20\u5143\u73af\n",
|
|
" print(f\"\\n{'='*60}\")\n",
|
|
" print(f\"\u5904\u7406 {ring_size} \u5143\u73af\u5927\u73af\u5185\u916f\")\n",
|
|
" print('='*60)\n",
|
|
" \n",
|
|
" # \u83b7\u53d6\u8be5\u73af\u5927\u5c0f\u7684\u5206\u5b50\n",
|
|
" ring_molecules = df_valid[df_valid['ring_size'] == ring_size]\n",
|
|
" \n",
|
|
" if len(ring_molecules) == 0:\n",
|
|
" print(f\" \u6ca1\u6709\u627e\u5230 {ring_size} \u5143\u73af\u5206\u5b50\uff0c\u8df3\u8fc7\")\n",
|
|
" continue\n",
|
|
" \n",
|
|
" print(f\" \u627e\u5230 {len(ring_molecules)} \u4e2a {ring_size} \u5143\u73af\u5206\u5b50\")\n",
|
|
" \n",
|
|
" # \u521b\u5efa\u65ad\u88c2\u5668\n",
|
|
" try:\n",
|
|
" fragmenter = MacrolactoneFragmenter(ring_size=ring_size)\n",
|
|
" print(f\" \u2713 \u6210\u529f\u521b\u5efa {ring_size} \u5143\u73af\u65ad\u88c2\u5668\")\n",
|
|
" except ValueError as e:\n",
|
|
" print(f\" \u2717 \u521b\u5efa\u65ad\u88c2\u5668\u5931\u8d25: {e}\")\n",
|
|
" # \u5c1d\u8bd5\u4f7f\u7528\u901a\u7528SMARTS\n",
|
|
" try:\n",
|
|
" fragmenter = MacrolactoneFragmenter(\n",
|
|
" ring_size=ring_size,\n",
|
|
" custom_smarts=\"[C](=O)[O]\"\n",
|
|
" )\n",
|
|
" print(f\" \u2713 \u4f7f\u7528\u901a\u7528SMARTS\u6210\u529f\u521b\u5efa\u65ad\u88c2\u5668\")\n",
|
|
" except Exception as e2:\n",
|
|
" print(f\" \u2717 \u4f7f\u7528\u901a\u7528SMARTS\u4e5f\u5931\u8d25: {e2}\")\n",
|
|
" continue\n",
|
|
" \n",
|
|
" # \u8ba1\u7b97\u5206\u5b50\u6027\u8d28\n",
|
|
" print(f\" \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\")\n",
|
|
" properties_list = []\n",
|
|
" for idx, row in ring_molecules.iterrows():\n",
|
|
" try:\n",
|
|
" mol = Chem.MolFromSmiles(row['smiles'])\n",
|
|
" if mol:\n",
|
|
" props = {\n",
|
|
" 'unique_id': row['IDs'],\n",
|
|
" 'mol_weight': Descriptors.MolWt(mol),\n",
|
|
" 'logP': Crippen.MolLogP(mol),\n",
|
|
" 'qed': QED.qed(mol),\n",
|
|
" 'tpsa': Descriptors.TPSA(mol),\n",
|
|
" 'num_atoms': mol.GetNumAtoms(),\n",
|
|
" 'ring_size': ring_size\n",
|
|
" }\n",
|
|
" properties_list.append(props)\n",
|
|
" except Exception as e:\n",
|
|
" print(f\" \u8b66\u544a\uff1a\u5206\u5b50 {row['IDs']} \u6027\u8d28\u8ba1\u7b97\u5931\u8d25: {e}\")\n",
|
|
" \n",
|
|
" if properties_list:\n",
|
|
" all_molecular_properties[ring_size] = pd.DataFrame(properties_list)\n",
|
|
" print(f\" \u2713 \u5b8c\u6210 {len(properties_list)} \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\")\n",
|
|
" \n",
|
|
" # \u6279\u91cf\u5904\u7406\u65ad\u88c2\n",
|
|
" print(f\" \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\")\n",
|
|
" try:\n",
|
|
" ring_molecules_list = ring_molecules.to_dict('records')\n",
|
|
" \n",
|
|
" filtered_results = []\n",
|
|
" for mol_data in ring_molecules_list:\n",
|
|
" try:\n",
|
|
" result = fragmenter.process_molecule(\n",
|
|
" mol_data['smiles'],\n",
|
|
" parent_id=mol_data['IDs']\n",
|
|
" )\n",
|
|
" filtered_results.append(result)\n",
|
|
" except Exception as e:\n",
|
|
" failed_molecules.append((mol_data['IDs'], ring_size, str(e)))\n",
|
|
" print(f\" \u8b66\u544a\uff1a\u5206\u5b50 {mol_data['IDs']} \u65ad\u88c2\u5931\u8d25: {e}\")\n",
|
|
" \n",
|
|
" all_fragments_results[ring_size] = filtered_results\n",
|
|
" \n",
|
|
" total_fragments = sum(len(r.fragments) for r in filtered_results)\n",
|
|
" print(f\" \u2713 \u5904\u7406\u5b8c\u6210: {len(filtered_results)} \u5206\u5b50, {total_fragments} \u4e2a\u788e\u7247\")\n",
|
|
" \n",
|
|
" except Exception as e:\n",
|
|
" print(f\" \u2717 \u6279\u91cf\u5904\u7406\u5931\u8d25: {e}\")\n",
|
|
" print(f\" \u8df3\u8fc7 {ring_size} \u5143\u73af...\")\n",
|
|
" continue\n",
|
|
"\n",
|
|
"print(f\"\\n{'='*80}\")\n",
|
|
"print(\"\u6279\u91cf\u5904\u7406\u5b8c\u6210\u7edf\u8ba1:\")\n",
|
|
"for ring_size, results in all_fragments_results.items():\n",
|
|
" total_fragments = sum(len(r.fragments) for r in results)\n",
|
|
" print(f\" {ring_size}\u5143\u73af: {len(results)} \u5206\u5b50, {total_fragments} \u4e2a\u788e\u7247\")\n",
|
|
"print('='*80)\n",
|
|
"\n",
|
|
"if failed_molecules:\n",
|
|
" print(f\"\\n\u26a0\ufe0f \u8b66\u544a: {len(failed_molecules)} \u4e2a\u5206\u5b50\u5904\u7406\u5931\u8d25\")"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "markdown",
|
|
"metadata": {},
|
|
"source": [
|
|
"## 6. \u4fdd\u5b58\u7ed3\u679c"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "code",
|
|
"execution_count": 6,
|
|
"metadata": {},
|
|
"outputs": [
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"\u4fdd\u5b58 12 \u5143\u73af\u7ed3\u679c...\n",
|
|
"\u4fdd\u5b58 13 \u5143\u73af\u7ed3\u679c...\n",
|
|
"\u4fdd\u5b58 14 \u5143\u73af\u7ed3\u679c...\n",
|
|
"\u4fdd\u5b58 15 \u5143\u73af\u7ed3\u679c...\n",
|
|
"\u4fdd\u5b58 16 \u5143\u73af\u7ed3\u679c...\n",
|
|
"\u4fdd\u5b58 17 \u5143\u73af\u7ed3\u679c...\n",
|
|
"\u4fdd\u5b58 18 \u5143\u73af\u7ed3\u679c...\n",
|
|
"\u4fdd\u5b58 19 \u5143\u73af\u7ed3\u679c...\n",
|
|
"\u4fdd\u5b58 20 \u5143\u73af\u7ed3\u679c...\n",
|
|
"\u6865\u73af\u5206\u5b50\u5df2\u4fdd\u5b58: /home/zly/project/macro_split/output/ring12_20_analysis/bridge_ring_molecules.csv\n",
|
|
"\n",
|
|
"\u2705 \u6240\u6709\u7ed3\u679c\u5df2\u4fdd\u5b58\u5230: /home/zly/project/macro_split/output/ring12_20_analysis\n",
|
|
"\u751f\u6210\u7684\u6587\u4ef6:\n",
|
|
" - bridge_ring_molecules.csv\n",
|
|
" - ring12_fragments_analysis.csv\n",
|
|
" - ring12_molecular_properties.csv\n",
|
|
" - ring13_fragments_analysis.csv\n",
|
|
" - ring13_molecular_properties.csv\n",
|
|
" - ring14_fragments_analysis.csv\n",
|
|
" - ring14_molecular_properties.csv\n",
|
|
" - ring15_fragments_analysis.csv\n",
|
|
" - ring15_molecular_properties.csv\n",
|
|
" - ring16_fragments_analysis.csv\n",
|
|
" - ring16_molecular_properties.csv\n",
|
|
" - ring17_fragments_analysis.csv\n",
|
|
" - ring17_molecular_properties.csv\n",
|
|
" - ring18_fragments_analysis.csv\n",
|
|
" - ring18_molecular_properties.csv\n",
|
|
" - ring19_fragments_analysis.csv\n",
|
|
" - ring19_molecular_properties.csv\n",
|
|
" - ring20_fragments_analysis.csv\n",
|
|
" - ring20_molecular_properties.csv\n",
|
|
" - json_results/ \u76ee\u5f55 (2109 \u4e2aJSON\u6587\u4ef6)\n"
|
|
]
|
|
}
|
|
],
|
|
"source": [
|
|
"# \u521b\u5efa\u8f93\u51fa\u76ee\u5f55\n",
|
|
"output_dir = project_root / 'output' / 'ring12_20_analysis'\n",
|
|
"output_dir.mkdir(parents=True, exist_ok=True)\n",
|
|
"\n",
|
|
"# \u4fdd\u5b58\u6bcf\u4e2a\u73af\u5927\u5c0f\u7684\u7ed3\u679c\n",
|
|
"for ring_size in range(12, 21):\n",
|
|
" if ring_size not in all_fragments_results:\n",
|
|
" continue\n",
|
|
" \n",
|
|
" print(f\"\u4fdd\u5b58 {ring_size} \u5143\u73af\u7ed3\u679c...\")\n",
|
|
" \n",
|
|
" # CSV\u7ed3\u679c\n",
|
|
" results = all_fragments_results[ring_size]\n",
|
|
" if results:\n",
|
|
" df_fragments = MacrolactoneFragmenter(ring_size=ring_size).batch_to_dataframe(results)\n",
|
|
" csv_file = output_dir / f'ring{ring_size}_fragments_analysis.csv'\n",
|
|
" df_fragments.to_csv(csv_file, index=False)\n",
|
|
" \n",
|
|
" # JSON\u7ed3\u679c\n",
|
|
" json_dir = output_dir / 'json_results'\n",
|
|
" json_dir.mkdir(exist_ok=True)\n",
|
|
" \n",
|
|
" for result in results:\n",
|
|
" json_file = json_dir / f'{result.parent_id}.json'\n",
|
|
" result.to_json_file(str(json_file))\n",
|
|
" \n",
|
|
" # \u5206\u5b50\u6027\u8d28\n",
|
|
" if ring_size in all_molecular_properties:\n",
|
|
" props_file = output_dir / f'ring{ring_size}_molecular_properties.csv'\n",
|
|
" all_molecular_properties[ring_size].to_csv(props_file, index=False)\n",
|
|
"\n",
|
|
"# \u4fdd\u5b58\u6865\u73af\u5206\u5b50\n",
|
|
"if len(df_bridge) > 0:\n",
|
|
" bridge_file = output_dir / 'bridge_ring_molecules.csv'\n",
|
|
" df_bridge.to_csv(bridge_file, index=False)\n",
|
|
" print(f\"\u6865\u73af\u5206\u5b50\u5df2\u4fdd\u5b58: {bridge_file}\")\n",
|
|
"\n",
|
|
"print(f\"\\n\u2705 \u6240\u6709\u7ed3\u679c\u5df2\u4fdd\u5b58\u5230: {output_dir}\")\n",
|
|
"print(\"\u751f\u6210\u7684\u6587\u4ef6:\")\n",
|
|
"for file in sorted(output_dir.glob('*.csv')):\n",
|
|
" print(f\" - {file.name}\")\n",
|
|
"if (output_dir / 'json_results').exists():\n",
|
|
" json_count = len(list((output_dir / 'json_results').glob('*.json')))\n",
|
|
" print(f\" - json_results/ \u76ee\u5f55 ({json_count} \u4e2aJSON\u6587\u4ef6)\")"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "markdown",
|
|
"metadata": {},
|
|
"source": [
|
|
"## 7. \u788e\u7247\u5206\u5e03\u53ef\u89c6\u5316\u5206\u6790"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "code",
|
|
"execution_count": 7,
|
|
"metadata": {},
|
|
"outputs": [
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"\u603b\u788e\u7247\u6570\u636e: 96061 \u6761\u8bb0\u5f55\n",
|
|
"\n",
|
|
"\u788e\u7247\u7edf\u8ba1\u6458\u8981:\n",
|
|
" fragment_id atom_count molecular_weight\n",
|
|
"ring_size cleavage_position \n",
|
|
"12 3 897 5.28 61.21\n",
|
|
" 4 683 6.77 83.92\n",
|
|
" 5 305 7.75 95.64\n",
|
|
" 6 845 4.38 49.97\n",
|
|
" 7 848 2.40 21.29\n",
|
|
" 8 714 8.22 103.59\n",
|
|
" 9 705 7.67 96.16\n",
|
|
" 10 803 9.64 124.00\n",
|
|
" 11 945 9.16 116.30\n",
|
|
" 12 835 10.44 134.31\n",
|
|
"13 3 396 5.10 57.39\n",
|
|
" 4 201 11.33 154.34\n",
|
|
" 5 423 3.43 35.68\n",
|
|
" 6 463 7.23 90.62\n",
|
|
" 7 360 4.01 44.09\n",
|
|
" 8 266 2.35 20.75\n",
|
|
" 9 440 7.12 85.06\n",
|
|
" 10 254 2.87 28.45\n",
|
|
" 11 339 3.19 32.90\n",
|
|
" 12 442 13.69 179.52\n",
|
|
"\n",
|
|
"\u2705 \u5206\u6790\u56fe\u8868\u5df2\u4fdd\u5b58: /home/zly/project/macro_split/output/ring12_20_analysis/ring12_20_fragment_analysis.png\n"
|
|
]
|
|
},
|
|
{
|
|
"data": {
|
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"image/png": 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",
|
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"text/plain": [
|
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"<Figure size 1600x1200 with 4 Axes>"
|
|
]
|
|
},
|
|
"metadata": {},
|
|
"output_type": "display_data"
|
|
}
|
|
],
|
|
"source": [
|
|
"# \u5bfc\u5165\u7ed8\u56fe\u5e93\n",
|
|
"try:\n",
|
|
" import seaborn as sns\n",
|
|
" import matplotlib.pyplot as plt\n",
|
|
" sns.set_style(\"whitegrid\")\n",
|
|
" HAVE_PLOTTING = True\n",
|
|
"except ImportError:\n",
|
|
" print(\"\u26a0\ufe0f \u9700\u8981\u5b89\u88c5seaborn\u548cmatplotlib\u8fdb\u884c\u53ef\u89c6\u5316\")\n",
|
|
" HAVE_PLOTTING = False\n",
|
|
"\n",
|
|
"if HAVE_PLOTTING:\n",
|
|
" # \u6536\u96c6\u6240\u6709\u788e\u7247\u6570\u636e\u7528\u4e8e\u5206\u6790\n",
|
|
" all_fragments_data = []\n",
|
|
"\n",
|
|
" for ring_size in range(12, 21):\n",
|
|
" csv_file = output_dir / f'ring{ring_size}_fragments_analysis.csv'\n",
|
|
" if csv_file.exists():\n",
|
|
" df_ring = pd.read_csv(csv_file)\n",
|
|
" df_ring['ring_size'] = ring_size\n",
|
|
" all_fragments_data.append(df_ring)\n",
|
|
"\n",
|
|
" if all_fragments_data:\n",
|
|
" df_all_fragments = pd.concat(all_fragments_data, ignore_index=True)\n",
|
|
" print(f\"\u603b\u788e\u7247\u6570\u636e: {len(df_all_fragments)} \u6761\u8bb0\u5f55\")\n",
|
|
" \n",
|
|
" # \u6309\u73af\u5927\u5c0f\u548c\u4f4d\u7f6e\u7edf\u8ba1\u788e\u7247\n",
|
|
" fragment_stats = df_all_fragments.groupby(['ring_size', 'cleavage_position']).agg({\n",
|
|
" 'fragment_id': 'count',\n",
|
|
" 'atom_count': 'mean',\n",
|
|
" 'molecular_weight': 'mean'\n",
|
|
" }).round(2)\n",
|
|
" \n",
|
|
" print(\"\\n\u788e\u7247\u7edf\u8ba1\u6458\u8981:\")\n",
|
|
" print(fragment_stats.head(20))\n",
|
|
" \n",
|
|
" # \u53ef\u89c6\u5316\n",
|
|
" fig, axes = plt.subplots(2, 2, figsize=(16, 12))\n",
|
|
" fig.suptitle('12-20 Membered Macrolactone Side Chain Fragment Analysis', fontsize=16, fontweight='bold')\n",
|
|
" \n",
|
|
" # 1. \u5404\u73af\u5927\u5c0f\u788e\u7247\u6570\u91cf\u5206\u5e03\n",
|
|
" ax = axes[0, 0]\n",
|
|
" ring_fragment_counts = df_all_fragments.groupby('ring_size')['fragment_id'].count()\n",
|
|
" ring_fragment_counts.plot(kind='bar', ax=ax, color='skyblue')\n",
|
|
" ax.set_title('Fragment Count by Ring Size')\n",
|
|
" ax.set_xlabel('Ring Size')\n",
|
|
" ax.set_ylabel('Fragment Count')\n",
|
|
" ax.grid(True, alpha=0.3)\n",
|
|
" \n",
|
|
" # 2. \u788e\u7247\u539f\u5b50\u6570\u5206\u5e03\n",
|
|
" ax = axes[0, 1]\n",
|
|
" sns.histplot(df_all_fragments['atom_count'], kde=True, ax=ax, bins=30, color='green', alpha=0.7)\n",
|
|
" ax.set_title(f'Fragment Atom Count Distribution (n={len(df_all_fragments)})')\n",
|
|
" ax.set_xlabel('Atom Count')\n",
|
|
" ax.set_ylabel('Frequency')\n",
|
|
" ax.grid(True, alpha=0.3)\n",
|
|
" \n",
|
|
" # 3. \u788e\u7247\u5206\u5b50\u91cf\u5206\u5e03\n",
|
|
" ax = axes[1, 0]\n",
|
|
" sns.histplot(df_all_fragments['molecular_weight'], kde=True, ax=ax, bins=30, color='orange', alpha=0.7)\n",
|
|
" ax.set_title(f'Fragment Molecular Weight Distribution (n={len(df_all_fragments)})')\n",
|
|
" ax.set_xlabel('Molecular Weight (Da)')\n",
|
|
" ax.set_ylabel('Frequency')\n",
|
|
" ax.grid(True, alpha=0.3)\n",
|
|
" \n",
|
|
" # 4. \u5404\u73af\u5927\u5c0f\u5e73\u5747\u788e\u7247\u5927\u5c0f\n",
|
|
" ax = axes[1, 1]\n",
|
|
" avg_sizes = df_all_fragments.groupby('ring_size')[['atom_count', 'molecular_weight']].mean()\n",
|
|
" avg_sizes.plot(kind='bar', ax=ax)\n",
|
|
" ax.set_title('Average Fragment Size by Ring Size')\n",
|
|
" ax.set_xlabel('Ring Size')\n",
|
|
" ax.set_ylabel('Average Size')\n",
|
|
" ax.legend()\n",
|
|
" ax.grid(True, alpha=0.3)\n",
|
|
" \n",
|
|
" plt.tight_layout()\n",
|
|
" \n",
|
|
" # \u4fdd\u5b58\u56fe\u7247\n",
|
|
" plot_file = output_dir / 'ring12_20_fragment_analysis.png'\n",
|
|
" plt.savefig(plot_file, dpi=300, bbox_inches='tight')\n",
|
|
" print(f\"\\n\u2705 \u5206\u6790\u56fe\u8868\u5df2\u4fdd\u5b58: {plot_file}\")\n",
|
|
" \n",
|
|
" plt.show()\n",
|
|
" else:\n",
|
|
" print(\"\u26a0\ufe0f \u6ca1\u6709\u627e\u5230\u788e\u7247\u6570\u636e\u8fdb\u884c\u5206\u6790\")"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "markdown",
|
|
"metadata": {},
|
|
"source": [
|
|
"## 8. \u6865\u73af\u5206\u5b50\u65ad\u88c2\u6d4b\u8bd5"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "code",
|
|
"execution_count": 8,
|
|
"metadata": {},
|
|
"outputs": [
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"\u5904\u7406\u6865\u73af\u5206\u5b50: 114 \u4e2a\n",
|
|
"\n",
|
|
"\u6d4b\u8bd5\u6865\u73af\u5206\u5b50: CHEMBL437538\n",
|
|
"\u8bc6\u522b\u7684\u73af\u5927\u5c0f: [19, 20]\n",
|
|
"\n",
|
|
"\u5c1d\u8bd5 19 \u5143\u73af\u65ad\u88c2...\n",
|
|
" \u2713 \u6210\u529f\u751f\u6210 14 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"\u5c1d\u8bd5 20 \u5143\u73af\u65ad\u88c2...\n",
|
|
" \u2713 \u6210\u529f\u751f\u6210 8 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"19\u5143\u73af\u7ed3\u679c:\n",
|
|
" \u788e\u7247\u6570\u91cf: 14\n",
|
|
" \u793a\u4f8b\u788e\u7247: *C(C)C...\n",
|
|
"\n",
|
|
"20\u5143\u73af\u7ed3\u679c:\n",
|
|
" \u788e\u7247\u6570\u91cf: 8\n",
|
|
" \u793a\u4f8b\u788e\u7247: *C(C)C...\n",
|
|
"\n",
|
|
"\u2705 \u6865\u73af\u65ad\u88c2\u6d4b\u8bd5\u7ed3\u679c\u5df2\u4fdd\u5b58: /home/zly/project/macro_split/output/ring12_20_analysis/bridge_ring_fragmentation_test.json\n"
|
|
]
|
|
},
|
|
{
|
|
"name": "stderr",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"[21:09:42] non-ring atom 0 marked aromatic\n",
|
|
"[21:09:42] non-ring atom 0 marked aromatic\n"
|
|
]
|
|
}
|
|
],
|
|
"source": [
|
|
"# \u5904\u7406\u6865\u73af\u5206\u5b50\uff08\u53ef\u9009\uff0c\u5c55\u793a\u5982\u4f55\u5904\u7406\uff09\n",
|
|
"if len(df_bridge) > 0:\n",
|
|
" print(f\"\u5904\u7406\u6865\u73af\u5206\u5b50: {len(df_bridge)} \u4e2a\")\n",
|
|
" \n",
|
|
" # \u9009\u62e9\u7b2c\u4e00\u4e2a\u6865\u73af\u5206\u5b50\u8fdb\u884c\u6d4b\u8bd5\n",
|
|
" test_bridge = df_bridge.iloc[0]\n",
|
|
" print(f\"\\n\u6d4b\u8bd5\u6865\u73af\u5206\u5b50: {test_bridge['IDs']}\")\n",
|
|
" print(f\"\u8bc6\u522b\u7684\u73af\u5927\u5c0f: {test_bridge['detected_ring_sizes']}\")\n",
|
|
" \n",
|
|
" # \u4e3a\u6bcf\u4e2a\u53ef\u80fd\u7684\u73af\u5927\u5c0f\u5c1d\u8bd5\u65ad\u88c2\n",
|
|
" bridge_fragments = {}\n",
|
|
" for ring_size in test_bridge['detected_ring_sizes']:\n",
|
|
" print(f\"\\n\u5c1d\u8bd5 {ring_size} \u5143\u73af\u65ad\u88c2...\")\n",
|
|
" try:\n",
|
|
" fragmenter = MacrolactoneFragmenter(ring_size=ring_size)\n",
|
|
" result = fragmenter.process_molecule(test_bridge['smiles'], parent_id=test_bridge['IDs'])\n",
|
|
" bridge_fragments[ring_size] = result\n",
|
|
" print(f\" \u2713 \u6210\u529f\u751f\u6210 {len(result.fragments)} \u4e2a\u788e\u7247\")\n",
|
|
" except Exception as e:\n",
|
|
" print(f\" \u2717 \u65ad\u88c2\u5931\u8d25: {e}\")\n",
|
|
" \n",
|
|
" # \u663e\u793a\u7ed3\u679c\u5bf9\u6bd4\n",
|
|
" for ring_size, result in bridge_fragments.items():\n",
|
|
" print(f\"\\n{ring_size}\u5143\u73af\u7ed3\u679c:\")\n",
|
|
" print(f\" \u788e\u7247\u6570\u91cf: {len(result.fragments)}\")\n",
|
|
" if result.fragments:\n",
|
|
" print(f\" \u793a\u4f8b\u788e\u7247: {result.fragments[0].fragment_smiles[:30]}...\")\n",
|
|
" \n",
|
|
" # \u4fdd\u5b58\u6865\u73af\u65ad\u88c2\u7ed3\u679c\n",
|
|
" bridge_results_file = output_dir / 'bridge_ring_fragmentation_test.json'\n",
|
|
" with open(bridge_results_file, 'w') as f:\n",
|
|
" json.dump({\n",
|
|
" 'molecule_id': test_bridge['IDs'],\n",
|
|
" 'smiles': test_bridge['smiles'],\n",
|
|
" 'identified_ring_sizes': test_bridge['detected_ring_sizes'],\n",
|
|
" 'fragmentation_results': {\n",
|
|
" ring_size: result.to_dict() for ring_size, result in bridge_fragments.items()\n",
|
|
" }\n",
|
|
" }, f, indent=2, ensure_ascii=False)\n",
|
|
" \n",
|
|
" print(f\"\\n\u2705 \u6865\u73af\u65ad\u88c2\u6d4b\u8bd5\u7ed3\u679c\u5df2\u4fdd\u5b58: {bridge_results_file}\")\n",
|
|
"\n",
|
|
"else:\n",
|
|
" print(\"\u6ca1\u6709\u6865\u73af\u5206\u5b50\u9700\u8981\u5904\u7406\")"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "markdown",
|
|
"metadata": {},
|
|
"source": [
|
|
"## 9. \u603b\u7ed3"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "code",
|
|
"execution_count": 9,
|
|
"metadata": {},
|
|
"outputs": [
|
|
{
|
|
"name": "stdout",
|
|
"output_type": "stream",
|
|
"text": [
|
|
"================================================================================\n",
|
|
"12-20\u5143\u73af\u5927\u73af\u5185\u916f\u4fa7\u94fe\u65ad\u88c2\u5206\u6790\u5b8c\u6210\uff01\n",
|
|
"================================================================================\n",
|
|
"\n",
|
|
"\ud83d\udcca \u6570\u636e\u5904\u7406\u7edf\u8ba1:\n",
|
|
" \u539f\u59cb\u6570\u636e: 11036 \u4e2a\u5206\u5b50\n",
|
|
" \u6709\u6548\u5927\u73af\u5185\u916f: 10911 \u4e2a\u5206\u5b50\n",
|
|
" \u6865\u73af\u5206\u5b50: 114 \u4e2a\u5206\u5b50\n",
|
|
" 12\u5143\u73af: 1423 \u5206\u5b50, 7580 \u788e\u7247\n",
|
|
" 13\u5143\u73af: 679 \u5206\u5b50, 4132 \u788e\u7247\n",
|
|
" 14\u5143\u73af: 3050 \u5206\u5b50, 29571 \u788e\u7247\n",
|
|
" 15\u5143\u73af: 1603 \u5206\u5b50, 17561 \u788e\u7247\n",
|
|
" 16\u5143\u73af: 2043 \u5206\u5b50, 16309 \u788e\u7247\n",
|
|
" 17\u5143\u73af: 199 \u5206\u5b50, 1279 \u788e\u7247\n",
|
|
" 18\u5143\u73af: 810 \u5206\u5b50, 7306 \u788e\u7247\n",
|
|
" 19\u5143\u73af: 855 \u5206\u5b50, 10041 \u788e\u7247\n",
|
|
" 20\u5143\u73af: 243 \u5206\u5b50, 2282 \u788e\u7247\n",
|
|
"\n",
|
|
" \u603b\u8ba1\u5904\u7406: 10905 \u5206\u5b50, 96061 \u4e2a\u788e\u7247\n",
|
|
"\n",
|
|
"\ud83d\udcc1 \u8f93\u51fa\u6587\u4ef6\u4f4d\u7f6e: /home/zly/project/macro_split/output/ring12_20_analysis\n",
|
|
"\n",
|
|
"\u751f\u6210\u7684\u4e3b\u8981\u6587\u4ef6:\n",
|
|
" - ring{12-20}_fragments_analysis.csv (\u5404\u73af\u5927\u5c0f\u788e\u7247\u6570\u636e)\n",
|
|
" - ring{12-20}_molecular_properties.csv (\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6027\u8d28)\n",
|
|
" - json_results/ (JSON\u683c\u5f0f\u7684\u8be6\u7ec6\u7ed3\u679c)\n",
|
|
" - bridge_ring_molecules.csv (\u6865\u73af\u5206\u5b50\u5217\u8868)\n",
|
|
" - ring12_20_fragment_analysis.png (\u5206\u6790\u56fe\u8868)\n",
|
|
" - bridge_ring_fragmentation_test.json (\u6865\u73af\u65ad\u88c2\u6d4b\u8bd5\u7ed3\u679c)\n",
|
|
"\n",
|
|
"\u2705 \u5206\u6790\u5b8c\u6210\uff01\u53ef\u4ee5\u6839\u636e\u9700\u8981\u8fdb\u4e00\u6b65\u5206\u6790\u7279\u5b9a\u73af\u5927\u5c0f\u6216\u6bd4\u8f83\u4e0d\u540c\u73af\u7684\u5927\u5c0f\u7279\u5f81\u3002\n",
|
|
"================================================================================\n"
|
|
]
|
|
}
|
|
],
|
|
"source": [
|
|
"print(\"=\"*80)\n",
|
|
"print(\"12-20\u5143\u73af\u5927\u73af\u5185\u916f\u4fa7\u94fe\u65ad\u88c2\u5206\u6790\u5b8c\u6210\uff01\")\n",
|
|
"print(\"=\"*80)\n",
|
|
"\n",
|
|
"print(f\"\\n\ud83d\udcca \u6570\u636e\u5904\u7406\u7edf\u8ba1:\")\n",
|
|
"print(f\" \u539f\u59cb\u6570\u636e: {len(df)} \u4e2a\u5206\u5b50\")\n",
|
|
"print(f\" \u6709\u6548\u5927\u73af\u5185\u916f: {len(df_valid)} \u4e2a\u5206\u5b50\")\n",
|
|
"print(f\" \u6865\u73af\u5206\u5b50: {len(df_bridge)} \u4e2a\u5206\u5b50\")\n",
|
|
"\n",
|
|
"total_processed = 0\n",
|
|
"total_fragments = 0\n",
|
|
"for ring_size, results in all_fragments_results.items():\n",
|
|
" mol_count = len(results)\n",
|
|
" frag_count = sum(len(r.fragments) for r in results)\n",
|
|
" total_processed += mol_count\n",
|
|
" total_fragments += frag_count\n",
|
|
" print(f\" {ring_size}\u5143\u73af: {mol_count} \u5206\u5b50, {frag_count} \u788e\u7247\")\n",
|
|
"\n",
|
|
"print(f\"\\n \u603b\u8ba1\u5904\u7406: {total_processed} \u5206\u5b50, {total_fragments} \u4e2a\u788e\u7247\")\n",
|
|
"\n",
|
|
"print(f\"\\n\ud83d\udcc1 \u8f93\u51fa\u6587\u4ef6\u4f4d\u7f6e: {output_dir}\")\n",
|
|
"print(\"\\n\u751f\u6210\u7684\u4e3b\u8981\u6587\u4ef6:\")\n",
|
|
"print(\" - ring{12-20}_fragments_analysis.csv (\u5404\u73af\u5927\u5c0f\u788e\u7247\u6570\u636e)\")\n",
|
|
"print(\" - ring{12-20}_molecular_properties.csv (\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6027\u8d28)\")\n",
|
|
"print(\" - json_results/ (JSON\u683c\u5f0f\u7684\u8be6\u7ec6\u7ed3\u679c)\")\n",
|
|
"print(\" - bridge_ring_molecules.csv (\u6865\u73af\u5206\u5b50\u5217\u8868)\")\n",
|
|
"\n",
|
|
"if HAVE_PLOTTING:\n",
|
|
" print(\" - ring12_20_fragment_analysis.png (\u5206\u6790\u56fe\u8868)\")\n",
|
|
"\n",
|
|
"if len(df_bridge) > 0:\n",
|
|
" print(\" - bridge_ring_fragmentation_test.json (\u6865\u73af\u65ad\u88c2\u6d4b\u8bd5\u7ed3\u679c)\")\n",
|
|
"\n",
|
|
"print(\"\\n\u2705 \u5206\u6790\u5b8c\u6210\uff01\u53ef\u4ee5\u6839\u636e\u9700\u8981\u8fdb\u4e00\u6b65\u5206\u6790\u7279\u5b9a\u73af\u5927\u5c0f\u6216\u6bd4\u8f83\u4e0d\u540c\u73af\u7684\u5927\u5c0f\u7279\u5f81\u3002\")\n",
|
|
"print(\"=\"*80)"
|
|
]
|
|
},
|
|
{
|
|
"cell_type": "code",
|
|
"execution_count": null,
|
|
"metadata": {},
|
|
"outputs": [],
|
|
"source": []
|
|
}
|
|
],
|
|
"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": "3.14.0"
|
|
}
|
|
},
|
|
"nbformat": 4,
|
|
"nbformat_minor": 4
|
|
} |