std_list_sanity_check.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": true,
    "pycharm": {
     "name": "#%%\n"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "The autoreload extension is already loaded. To reload it, use:\n",
      "  %reload_ext autoreload\n"
     ]
    }
   ],
   "source": [
    "%load_ext autoreload\n",
    "%autoreload 2\n",
    "import time\n",
    "import os\n",
    "from rdkit import Chem\n",
    "import seaborn as sns\n",
    "import numpy as np\n",
    "import pandas as pd\n",
    "import sys\n",
    "from tqdm import tqdm\n",
    "from mimas.tools.spectral_file.extract_ms1_feature import process_mzml_file, extract_ms2_spectra, find_features\n",
    "import logging\n",
    "from toolsets.spectra_operations import entropy_similarity_default\n",
    "from toolsets.std_list_prep import complete_adducts, complete_formula\n",
    "# from toolsets.API_gets import complete_smiles\n",
    "from toolsets.search import string_search, num_search\n",
    "import toolsets.spectra_operations as so\n",
    "from tqdm import tqdm\n",
    "# from toolsets.features_by_alphapept import find_features_alphapept\n",
    "# std_list_path= \"/Users/fanzhoukong/Documents/GitHub/Libgen_data/GT\"\n",
    "source_dir = \"/Users/fanzhoukong/Documents/GitHub/Libgen_data/UVPD\""
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 595,
   "outputs": [],
   "source": [
    "from toolsets.API_gets import GNPS_get, pubchem_get\n",
    "from rdkit.Chem.rdMolDescriptors import CalcMolFormula\n",
    "def get_smiles_from_db(std_list, inchikey_column = 'inchikey'):\n",
    "    smiles = []\n",
    "    for index, row in tqdm(std_list.iterrows(), total=len(std_list)):\n",
    "        try:\n",
    "            smiles.append(pubchem_get(content= row[inchikey_column]))\n",
    "        except:\n",
    "            smiles.append(np.NAN)\n",
    "    std_list['smiles_fetched']=smiles\n",
    "    formal_charges = []\n",
    "    formula_fetched=[]\n",
    "    for index, row in std_list.iterrows():\n",
    "        mol = Chem.MolFromSmiles(row['smiles_fetched'])\n",
    "        formula_fetched.append(CalcMolFormula(mol))\n",
    "        formal_charges.append(Chem.GetFormalCharge(mol))\n",
    "\n",
    "    std_list['formal_charges']=formal_charges\n",
    "    std_list['formula_fetched']=formula_fetched\n",
    "    return (std_list)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 596,
   "outputs": [],
   "source": [
    "\n"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "markdown",
   "source": [
    "# preparing std_list for EAD library"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%% md\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "outputs": [],
   "source": [
    "source_dir = \"/Users/fanzhoukong/Documents/GitHub/Libgen_data/EAD\""
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 599,
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "100%|██████████| 1665/1665 [33:51<00:00,  1.22s/it] \n",
      "100%|██████████| 1474/1474 [21:19<00:00,  1.15it/s] \n"
     ]
    }
   ],
   "source": [
    "\n",
    "std_list_pfp = pd.read_csv(os.path.join(source_dir, \"PFP_pos_mixlist.csv\"))\n",
    "std_list_hilic = pd.read_csv(os.path.join(source_dir, \"HILIC_pos_mixlist.csv\"))\n",
    "for list in [std_list_pfp, std_list_hilic]:\n",
    "    list = get_smiles_from_db(list)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "outputs": [],
   "source": [
    "std_list_pfp_crude = pd.read_csv(os.path.join(source_dir, \"PFP_std_list_crude.csv\"))"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "outputs": [],
   "source": [
    "std_list_pfp_salt = std_list_pfp_crude.query('formula_fetched != uncharged_formula')"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 42,
   "outputs": [
    {
     "data": {
      "text/plain": "                                                  name  \\\n409                       Carnitine (Dl) Hydrochloride   \n419                                    MONENSIN SODIUM   \n422                         PUTRESCINE DIHYDROCHLORIDE   \n494                             NALOXONE HYDROCHLORIDE   \n496                          Sodium Tetradecyl Sulfate   \n559                                   CHOLINE CHLORIDE   \n586                            Anabasine Hydrochloride   \n642                     Uridine Triphosphate Trisodium   \n672                          HISTAMINE DIHYDROCHLORIDE   \n744                          Kasugamycin Hydrochloride   \n753                      PSEUDOEPHEDRINE HYDROCHLORIDE   \n814                              BETAINE HYDROCHLORIDE   \n846                            Berbamine Hydrochloride   \n899                              Tubocurarine Chloride   \n917                                 Berberine Chloride   \n927                         Lupanyl Acid Hydrochloride   \n932                  N-Methylbenzylamine Hydrochloride   \n939                           VANCOMYCIN HYDROCHLORIDE   \n994                          Anabasamine Hydrochloride   \n1075                            Lobeline Hydrochloride   \n1172  Agelasine (Stereochemistry Of Diterpene Unknown)   \n1180                            Cephalosporin C Sodium   \n1181                     Cephalosporin C Sodium Cation   \n1195                           PUROMYCIN HYDROCHLORIDE   \n1228                          OCTOPAMINE HYDROCHLORIDE   \n1245                               3-Amino-Beta-Pinene   \n1334                                     Pangamic Acid   \n1335                              Pangamic Acid Sodium   \n1337                       Phenacylamine Hydrochloride   \n1342                               Salinomycin, Sodium   \n1345                                   Venlafaxine HCl   \n1378                                Palmatine Chloride   \n1506                                Cotarnine Chloride   \n1554                     Riboflavin 5-Phosphate Sodium   \n1578                          Biliverdin Hydrochloride   \n1583                                          Coralyne   \n1584                                 Coralyne Chloride   \n1629                        Pelletierine Hydrochloride   \n\n                         inchikey                mix  \\\n409   JXXCENBLGFBQJM-UHFFFAOYSA-N   PFPpos_P N 1_EAD   \n419   XOIQMTLWECTKJL-PDHYURILSA-M   PFPpos_P N 1_EAD   \n422   XXWCODXIQWIHQN-UHFFFAOYSA-N   PFPpos_P N 1_EAD   \n494   RGPDIGOSVORSAK-STHHAXOLSA-N   PFPpos_P N 3_EAD   \n496   UPUIQOIQVMNQAP-UHFFFAOYSA-M   PFPpos_P N 3_EAD   \n559   SGMZJAMFUVOLNK-UHFFFAOYSA-M   PFPpos_P N 5_EAD   \n586   VTMZQNZVYCJLGG-UHFFFAOYSA-N   PFPpos_P N 6_EAD   \n642   MMJGIWFJVDOPJF-LLWADOMFSA-K   PFPpos_P N 7_EAD   \n672   PPZMYIBUHIPZOS-UHFFFAOYSA-N   PFPpos_P N 8_EAD   \n744   ZDRBJJNXJOSCLR-YZKQBBCCSA-N  PFPpos_P N 10_EAD   \n753   BALXUFOVQVENIU-KXNXZCPBSA-N  PFPpos_P N 10_EAD   \n814   HOPSCVCBEOCPJZ-UHFFFAOYSA-N  PFPpos_P N 12_EAD   \n846   SFPGJACKHKXGBH-UHFFFAOYSA-N  PFPpos_P N 13_EAD   \n899   MHXYWXHKLBMJKL-QBYKQQEBSA-N  PFPpos_P N 14_EAD   \n917   VKJGBAJNNALVAV-UHFFFAOYSA-M  PFPpos_P N 15_EAD   \n927   WHCVEOAUHDJGLW-UHFFFAOYSA-N  PFPpos_P N 15_EAD   \n932   CBSOFSBFHDQRLV-UHFFFAOYSA-N  PFPpos_P N 15_EAD   \n939   LCTORFDMHNKUSG-XTTLPDOESA-N  PFPpos_P N 15_EAD   \n994   PFWHFUPRJSEODI-UHFFFAOYSA-N  PFPpos_P N 17_EAD   \n1075  MKMYPTLXLWOUSO-UHFFFAOYSA-N  PFPpos_P N 19_EAD   \n1172  YBNXVKHEQXZPFB-XMMWENQYSA-M  PFPpos_P N 22_EAD   \n1180  HZWLVUKHUSRPCG-BJIHTTGYSA-N  PFPpos_P N 22_EAD   \n1181  HZWLVUKHUSRPCG-BJIHTTGYSA-N  PFPpos_P N 22_EAD   \n1195  MKSVFGKWZLUTTO-FZFAUISWSA-N  PFPpos_P N 22_EAD   \n1228  PUMZXCBVHLCWQG-UHFFFAOYSA-N  PFPpos_P N 23_EAD   \n1245  SQSDBXYJKLVZJR-UHFFFAOYSA-N  PFPpos_P N 24_EAD   \n1334  ZQTHOIGMSJMBLM-BUJSFMDZSA-M  PFPpos_P N 26_EAD   \n1335  MKVDFFROCUECAJ-CKDSBIORSA-M  PFPpos_P N 26_EAD   \n1337  CVXGFPPAIUELDV-UHFFFAOYSA-N  PFPpos_P N 26_EAD   \n1342  YPZYGIQXBGHDBH-WKWCOTLASA-M  PFPpos_P N 26_EAD   \n1345  QYRYFNHXARDNFZ-UHFFFAOYSA-N  PFPpos_P N 26_EAD   \n1378  RLQYRXCUPVKSAW-UHFFFAOYSA-M  PFPpos_P N 27_EAD   \n1506  UONSFNPHCTWRGS-UHFFFAOYSA-M  PFPpos_P N 31_EAD   \n1554  OHSHFZJLPYLRIP-BMZHGHOISA-M  PFPpos_P N 32_EAD   \n1578  OZCVSEGCSGTCIO-FVHLCMSXSA-N  PFPpos_P N 33_EAD   \n1583  PDYBUYVOPAJLKP-UHFFFAOYSA-M  PFPpos_P N 33_EAD   \n1584  PDYBUYVOPAJLKP-UHFFFAOYSA-M  PFPpos_P N 33_EAD   \n1629  FMOKUKPRJSMPOI-UHFFFAOYSA-N  PFPpos_P N 34_EAD   \n\n                                         smiles_fetched  formal_charges  \\\n409                       C[N+](C)(C)CC(CC(=O)O)O.[Cl-]               0   \n419   CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=...               0   \n422                                      C(CCN)CN.Cl.Cl               0   \n494   C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)...               0   \n496                  CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]               0   \n559                                C[N+](C)(C)CCO.[Cl-]               0   \n586                            C1CCNC(C1)C2=CN=CC=C2.Cl               0   \n642   C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O...               0   \n672                                C1=C(NC=N1)CCN.Cl.Cl               0   \n744   CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O...               0   \n753                            CC(C(C1=CC=CC=C1)O)NC.Cl               0   \n814                            C[N+](C)(C)CC(=O)O.[Cl-]               0   \n846   CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=...               0   \n899   CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=...               0   \n917   COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)O...               0   \n927                    C1CCN2CC3CC(C2C1)CNC3CCC(=O)O.Cl               0   \n932                           C[NH2+]CC1=CC=CC=C1.[Cl-]               0   \n939   CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C...               0   \n994                CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3.Cl               0   \n1075    CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.Cl               0   \n1172  CC1CCC2(C(C1(C)CCC(=CC[N+]3=CN(C4=C(N=CN=C43)N...               0   \n1180  CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC...               1   \n1181  CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC...               1   \n1195  CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC...               0   \n1228                    C1=CC(=CC=C1C(C[NH3+])O)O.[Cl-]               0   \n1245                          CC1(C2CC1C(=C)C(C2)N)C.Cl               0   \n1334             CN(C)CC(=O)OCC(C(C(C(C(=O)[O-])O)O)O)O              -1   \n1335       CN(C)CC(=O)OCC(C(C(C(C(=O)[O-])O)O)O)O.[Na+]               0   \n1337                    C1=CC=C(C=C1)C(=O)C[NH3+].[Cl-]               0   \n1342  CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O...               0   \n1345             CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O.Cl               0   \n1378  COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O...               0   \n1506               CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3.[Cl-]              -1   \n1554  CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(...               0   \n1578  CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)...               0   \n1583  CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC...               0   \n1584  CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC...               0   \n1629                                 CC(=O)CC1CCCCN1.Cl               0   \n\n      formula_fetched                                    stripped_smiles  \\\n409        C7H16ClNO3                            C[N+](C)(C)CC(O)CC(=O)O   \n419       C36H61NaO11  CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CC...   \n422        C4H14Cl2N2                                             NCCCCN   \n494       C19H22ClNO4         C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5   \n496       C14H29NaO4S                       CCCCCCCCCCCCCCOS(=O)(=O)[O-]   \n559         C5H14ClNO                                     C[N+](C)(C)CCO   \n586        C10H15ClN2                                 c1cncc(C2CCCCN2)c1   \n642   C9H12N2Na3O15P3  O=c1ccn(C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([...   \n672        C5H11Cl2N3                                      NCCc1cnc[nH]1   \n744      C14H26ClN3O9   CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O   \n753        C10H16ClNO                                 CNC(C)C(O)c1ccccc1   \n814        C5H12ClNO2                                 C[N+](C)(C)CC(=O)O   \n846      C37H41ClN2O6  COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)...   \n899      C37H41ClN2O6  COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...   \n917       C20H18ClNO4        COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2   \n927      C14H25ClN2O2                        O=C(O)CCC1NCC2CC1CN1CCCCC21   \n932          C8H12ClN                                   C[NH2+]Cc1ccccc1   \n939    C66H76Cl3N9O24  CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=...   \n994        C16H20ClN3                       CN1CCCCC1c1ccc(-c2cccnc2)nc1   \n1075      C22H28ClNO2             CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1   \n1172       C26H40ClN5  CC(=CC[n+]1cn(C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C...   \n1180   C16H21N3NaO8S+  CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...   \n1181   C16H21N3NaO8S+  CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...   \n1195    C22H31Cl2N7O5  COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncn...   \n1228       C8H12ClNO2                             [NH3+]CC(O)c1ccc(O)cc1   \n1245        C10H18ClN                               C=C1C(N)CC2CC1C2(C)C   \n1334       C10H18NO8-             CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)[O-]   \n1335      C10H18NNaO8             CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)[O-]   \n1337        C8H10ClNO                               [NH3+]CC(=O)c1ccccc1   \n1342      C42H69NaO11  CCC(C(=O)[O-])C1CCC(C)C(C(C)C(O)C(C)C(=O)C(CC)...   \n1345      C17H28ClNO2                   COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1   \n1378      C21H22ClNO4       COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2   \n1506     C12H15ClNO4-                      COc1c2c(cc3c1C(O)N(C)CC3)OCO2   \n1554    C17H20N4NaO9P  Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(...   \n1578     C33H35ClN4O6  C=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(C=C4NC(=O)C(C)...   \n1583      C22H22ClNO4       COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC   \n1584      C22H22ClNO4       COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC   \n1629        C8H16ClNO                                    CC(=O)CC1CCCCN1   \n\n     stripped_formula  stripped_formal_charges  \\\n409         C7H16NO3+                        1   \n419        C36H61O11-                       -1   \n422           C4H12N2                        0   \n494         C19H21NO4                        0   \n496        C14H29O4S-                       -1   \n559          C5H14NO+                        1   \n586          C10H14N2                        0   \n642    C9H12N2O15P3-3                       -3   \n672            C5H9N3                        0   \n744        C14H25N3O9                        0   \n753          C10H15NO                        0   \n814         C5H12NO2+                        1   \n846        C37H40N2O6                        0   \n899       C37H41N2O6+                        1   \n917        C20H18NO4+                        1   \n927        C14H24N2O2                        0   \n932           C8H12N+                        1   \n939    C66H75Cl2N9O24                        0   \n994          C16H19N3                        0   \n1075        C22H27NO2                        0   \n1172        C26H40N5+                        1   \n1180      C16H21N3O8S                        0   \n1181      C16H21N3O8S                        0   \n1195       C22H29N7O5                        0   \n1228        C8H12NO2+                        1   \n1245          C10H17N                        0   \n1334       C10H18NO8-                       -1   \n1335       C10H18NO8-                       -1   \n1337         C8H10NO+                        1   \n1342       C42H69O11-                       -1   \n1345        C17H27NO2                        0   \n1378       C21H22NO4+                        1   \n1506        C12H15NO4                        0   \n1554     C17H20N4O9P-                       -1   \n1578       C33H34N4O6                        0   \n1583       C22H22NO4+                        1   \n1584       C22H22NO4+                        1   \n1629          C8H15NO                        0   \n\n                                       uncharged_smiles uncharged_formula  \\\n409                             C[N+](C)(C)CC(O)CC(=O)O         C7H16NO3+   \n419   CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CC...         C36H62O11   \n422                                              NCCCCN           C4H12N2   \n494          C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5         C19H21NO4   \n496                           CCCCCCCCCCCCCCOS(=O)(=O)O         C14H30O4S   \n559                                      C[N+](C)(C)CCO          C5H14NO+   \n586                                  c1cncc(C2CCCCN2)c1          C10H14N2   \n642   O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O...      C9H15N2O15P3   \n672                                       NCCc1cnc[nH]1            C5H9N3   \n744    CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O        C14H25N3O9   \n753                                  CNC(C)C(O)c1ccccc1          C10H15NO   \n814                                  C[N+](C)(C)CC(=O)O         C5H12NO2+   \n846   COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)...        C37H40N2O6   \n899   COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...       C37H41N2O6+   \n917         COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2        C20H18NO4+   \n927                         O=C(O)CCC1NCC2CC1CN1CCCCC21        C14H24N2O2   \n932                                         CNCc1ccccc1            C8H11N   \n939   CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=...    C66H75Cl2N9O24   \n994                        CN1CCCCC1c1ccc(-c2cccnc2)nc1          C16H19N3   \n1075             CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1         C22H27NO2   \n1172  CC(=CC[n+]1cn(C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C...         C26H40N5+   \n1180  CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...       C16H21N3O8S   \n1181  CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...       C16H21N3O8S   \n1195  COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncn...        C22H29N7O5   \n1228                                  NCC(O)c1ccc(O)cc1          C8H11NO2   \n1245                               C=C1C(N)CC2CC1C2(C)C           C10H17N   \n1334                CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)O         C10H19NO8   \n1335                CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)O         C10H19NO8   \n1337                                    NCC(=O)c1ccccc1            C8H9NO   \n1342  CCC(C(=O)O)C1CCC(C)C(C(C)C(O)C(C)C(=O)C(CC)C2O...         C42H70O11   \n1345                   COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1         C17H27NO2   \n1378       COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2        C21H22NO4+   \n1506                      COc1c2c(cc3c1C(O)N(C)CC3)OCO2         C12H15NO4   \n1554  Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(...       C17H21N4O9P   \n1578  C=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(C=C4NC(=O)C(C)...        C33H34N4O6   \n1583       COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC        C22H22NO4+   \n1584       COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC        C22H22NO4+   \n1629                                    CC(=O)CC1CCCCN1           C8H15NO   \n\n      uncharged_formal_charges           uncharged_inchikey  monoisotopic_mass  \n409                          1  PHIQHXFUZVPYII-UHFFFAOYSA-O         162.112470  \n419                          0  GAOZTHIDHYLHMS-UHFFFAOYSA-N         670.429213  \n422                          0  KIDHWZJUCRJVML-UHFFFAOYSA-N          88.100048  \n494                          0  UZHSEJADLWPNLE-UHFFFAOYSA-N         327.147058  \n496                          0  URLJMZWTXZTZRR-UHFFFAOYSA-N         294.186480  \n559                          1  OEYIOHPDSNJKLS-UHFFFAOYSA-N         104.106990  \n586                          0  MTXSIJUGVMTTMU-UHFFFAOYSA-N         162.115698  \n642                          0  PGAVKCOVUIYSFO-UHFFFAOYSA-N         483.968528  \n672                          0  NTYJJOPFIAHURM-UHFFFAOYSA-N         111.079647  \n744                          0  PVTHJAPFENJVNC-UHFFFAOYSA-N         379.159079  \n753                          0  KWGRBVOPPLSCSI-UHFFFAOYSA-N         165.115364  \n814                          1  KWIUHFFTVRNATP-UHFFFAOYSA-O         118.086255  \n846                          0  DFOCUWZXJBAUSQ-UHFFFAOYSA-N         608.288637  \n899                          1  JFJZZMVDLULRGK-UHFFFAOYSA-O         609.295913  \n917                          1  YBHILYKTIRIUTE-UHFFFAOYSA-N         336.123034  \n927                          0  PGJCMAPVGINXEQ-UHFFFAOYSA-N         252.183778  \n932                          0  RIWRFSMVIUAEBX-UHFFFAOYSA-N         121.089149  \n939                          0  MYPYJXKWCTUITO-UHFFFAOYSA-N        1447.430200  \n994                          0  TZRDBHMKTWECOV-UHFFFAOYSA-N         253.157898  \n1075                         0  MXYUKLILVYORSK-UHFFFAOYSA-N         337.204179  \n1172                         1  NALGSOQQUZLOIK-UHFFFAOYSA-N         422.327823  \n1180                         0  HOKIDJSKDBPKTQ-UHFFFAOYSA-N         415.104936  \n1181                         0  HOKIDJSKDBPKTQ-UHFFFAOYSA-N         415.104936  \n1195                         0  RXWNCPJZOCPEPQ-UHFFFAOYSA-N         471.223017  \n1228                         0  QHGUCRYDKWKLMG-UHFFFAOYSA-N         153.078979  \n1245                         0  ZEKALTOSWFXTCN-UHFFFAOYSA-N         151.136100  \n1334                         0  ZQTHOIGMSJMBLM-UHFFFAOYSA-N         281.111067  \n1335                         0  ZQTHOIGMSJMBLM-UHFFFAOYSA-N         281.111067  \n1337                         0  HEQOJEGTZCTHCF-UHFFFAOYSA-N         135.068414  \n1342                         0  KQXDHUJYNAXLNZ-UHFFFAOYSA-N         750.491813  \n1345                         0  PNVNVHUZROJLTJ-UHFFFAOYSA-N         277.204179  \n1378                         1  QUCQEUCGKKTEBI-UHFFFAOYSA-N         352.154335  \n1506                         0  PAPMYQLKLNRZIR-UHFFFAOYSA-N         237.100108  \n1554                         0  FVTCRASFADXXNN-UHFFFAOYSA-N         456.104615  \n1578                         0  RCNSAJSGRJSBKK-UHFFFAOYSA-N         582.247835  \n1583                         1  GOEJQGGEIVSVOK-UHFFFAOYSA-N         364.154335  \n1584                         1  GOEJQGGEIVSVOK-UHFFFAOYSA-N         364.154335  \n1629                         0  JEIZLWNUBXHADF-UHFFFAOYSA-N         141.115364  ",
      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>name</th>\n      <th>inchikey</th>\n      <th>mix</th>\n      <th>smiles_fetched</th>\n      <th>formal_charges</th>\n      <th>formula_fetched</th>\n      <th>stripped_smiles</th>\n      <th>stripped_formula</th>\n      <th>stripped_formal_charges</th>\n      <th>uncharged_smiles</th>\n      <th>uncharged_formula</th>\n      <th>uncharged_formal_charges</th>\n      <th>uncharged_inchikey</th>\n      <th>monoisotopic_mass</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>409</th>\n      <td>Carnitine (Dl) Hydrochloride</td>\n      <td>JXXCENBLGFBQJM-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 1_EAD</td>\n      <td>C[N+](C)(C)CC(CC(=O)O)O.[Cl-]</td>\n      <td>0</td>\n      <td>C7H16ClNO3</td>\n      <td>C[N+](C)(C)CC(O)CC(=O)O</td>\n      <td>C7H16NO3+</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CC(O)CC(=O)O</td>\n      <td>C7H16NO3+</td>\n      <td>1</td>\n      <td>PHIQHXFUZVPYII-UHFFFAOYSA-O</td>\n      <td>162.112470</td>\n    </tr>\n    <tr>\n      <th>419</th>\n      <td>MONENSIN SODIUM</td>\n      <td>XOIQMTLWECTKJL-PDHYURILSA-M</td>\n      <td>PFPpos_P N 1_EAD</td>\n      <td>CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=...</td>\n      <td>0</td>\n      <td>C36H61NaO11</td>\n      <td>CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CC...</td>\n      <td>C36H61O11-</td>\n      <td>-1</td>\n      <td>CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CC...</td>\n      <td>C36H62O11</td>\n      <td>0</td>\n      <td>GAOZTHIDHYLHMS-UHFFFAOYSA-N</td>\n      <td>670.429213</td>\n    </tr>\n    <tr>\n      <th>422</th>\n      <td>PUTRESCINE DIHYDROCHLORIDE</td>\n      <td>XXWCODXIQWIHQN-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 1_EAD</td>\n      <td>C(CCN)CN.Cl.Cl</td>\n      <td>0</td>\n      <td>C4H14Cl2N2</td>\n      <td>NCCCCN</td>\n      <td>C4H12N2</td>\n      <td>0</td>\n      <td>NCCCCN</td>\n      <td>C4H12N2</td>\n      <td>0</td>\n      <td>KIDHWZJUCRJVML-UHFFFAOYSA-N</td>\n      <td>88.100048</td>\n    </tr>\n    <tr>\n      <th>494</th>\n      <td>NALOXONE HYDROCHLORIDE</td>\n      <td>RGPDIGOSVORSAK-STHHAXOLSA-N</td>\n      <td>PFPpos_P N 3_EAD</td>\n      <td>C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)...</td>\n      <td>0</td>\n      <td>C19H22ClNO4</td>\n      <td>C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5</td>\n      <td>C19H21NO4</td>\n      <td>0</td>\n      <td>C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5</td>\n      <td>C19H21NO4</td>\n      <td>0</td>\n      <td>UZHSEJADLWPNLE-UHFFFAOYSA-N</td>\n      <td>327.147058</td>\n    </tr>\n    <tr>\n      <th>496</th>\n      <td>Sodium Tetradecyl Sulfate</td>\n      <td>UPUIQOIQVMNQAP-UHFFFAOYSA-M</td>\n      <td>PFPpos_P N 3_EAD</td>\n      <td>CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]</td>\n      <td>0</td>\n      <td>C14H29NaO4S</td>\n      <td>CCCCCCCCCCCCCCOS(=O)(=O)[O-]</td>\n      <td>C14H29O4S-</td>\n      <td>-1</td>\n      <td>CCCCCCCCCCCCCCOS(=O)(=O)O</td>\n      <td>C14H30O4S</td>\n      <td>0</td>\n      <td>URLJMZWTXZTZRR-UHFFFAOYSA-N</td>\n      <td>294.186480</td>\n    </tr>\n    <tr>\n      <th>559</th>\n      <td>CHOLINE CHLORIDE</td>\n      <td>SGMZJAMFUVOLNK-UHFFFAOYSA-M</td>\n      <td>PFPpos_P N 5_EAD</td>\n      <td>C[N+](C)(C)CCO.[Cl-]</td>\n      <td>0</td>\n      <td>C5H14ClNO</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>C5H14NO+</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>C5H14NO+</td>\n      <td>1</td>\n      <td>OEYIOHPDSNJKLS-UHFFFAOYSA-N</td>\n      <td>104.106990</td>\n    </tr>\n    <tr>\n      <th>586</th>\n      <td>Anabasine Hydrochloride</td>\n      <td>VTMZQNZVYCJLGG-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 6_EAD</td>\n      <td>C1CCNC(C1)C2=CN=CC=C2.Cl</td>\n      <td>0</td>\n      <td>C10H15ClN2</td>\n      <td>c1cncc(C2CCCCN2)c1</td>\n      <td>C10H14N2</td>\n      <td>0</td>\n      <td>c1cncc(C2CCCCN2)c1</td>\n      <td>C10H14N2</td>\n      <td>0</td>\n      <td>MTXSIJUGVMTTMU-UHFFFAOYSA-N</td>\n      <td>162.115698</td>\n    </tr>\n    <tr>\n      <th>642</th>\n      <td>Uridine Triphosphate Trisodium</td>\n      <td>MMJGIWFJVDOPJF-LLWADOMFSA-K</td>\n      <td>PFPpos_P N 7_EAD</td>\n      <td>C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O...</td>\n      <td>0</td>\n      <td>C9H12N2Na3O15P3</td>\n      <td>O=c1ccn(C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([...</td>\n      <td>C9H12N2O15P3-3</td>\n      <td>-3</td>\n      <td>O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O...</td>\n      <td>C9H15N2O15P3</td>\n      <td>0</td>\n      <td>PGAVKCOVUIYSFO-UHFFFAOYSA-N</td>\n      <td>483.968528</td>\n    </tr>\n    <tr>\n      <th>672</th>\n      <td>HISTAMINE DIHYDROCHLORIDE</td>\n      <td>PPZMYIBUHIPZOS-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 8_EAD</td>\n      <td>C1=C(NC=N1)CCN.Cl.Cl</td>\n      <td>0</td>\n      <td>C5H11Cl2N3</td>\n      <td>NCCc1cnc[nH]1</td>\n      <td>C5H9N3</td>\n      <td>0</td>\n      <td>NCCc1cnc[nH]1</td>\n      <td>C5H9N3</td>\n      <td>0</td>\n      <td>NTYJJOPFIAHURM-UHFFFAOYSA-N</td>\n      <td>111.079647</td>\n    </tr>\n    <tr>\n      <th>744</th>\n      <td>Kasugamycin Hydrochloride</td>\n      <td>ZDRBJJNXJOSCLR-YZKQBBCCSA-N</td>\n      <td>PFPpos_P N 10_EAD</td>\n      <td>CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O...</td>\n      <td>0</td>\n      <td>C14H26ClN3O9</td>\n      <td>CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O</td>\n      <td>C14H25N3O9</td>\n      <td>0</td>\n      <td>CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O</td>\n      <td>C14H25N3O9</td>\n      <td>0</td>\n      <td>PVTHJAPFENJVNC-UHFFFAOYSA-N</td>\n      <td>379.159079</td>\n    </tr>\n    <tr>\n      <th>753</th>\n      <td>PSEUDOEPHEDRINE HYDROCHLORIDE</td>\n      <td>BALXUFOVQVENIU-KXNXZCPBSA-N</td>\n      <td>PFPpos_P N 10_EAD</td>\n      <td>CC(C(C1=CC=CC=C1)O)NC.Cl</td>\n      <td>0</td>\n      <td>C10H16ClNO</td>\n      <td>CNC(C)C(O)c1ccccc1</td>\n      <td>C10H15NO</td>\n      <td>0</td>\n      <td>CNC(C)C(O)c1ccccc1</td>\n      <td>C10H15NO</td>\n      <td>0</td>\n      <td>KWGRBVOPPLSCSI-UHFFFAOYSA-N</td>\n      <td>165.115364</td>\n    </tr>\n    <tr>\n      <th>814</th>\n      <td>BETAINE HYDROCHLORIDE</td>\n      <td>HOPSCVCBEOCPJZ-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 12_EAD</td>\n      <td>C[N+](C)(C)CC(=O)O.[Cl-]</td>\n      <td>0</td>\n      <td>C5H12ClNO2</td>\n      <td>C[N+](C)(C)CC(=O)O</td>\n      <td>C5H12NO2+</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CC(=O)O</td>\n      <td>C5H12NO2+</td>\n      <td>1</td>\n      <td>KWIUHFFTVRNATP-UHFFFAOYSA-O</td>\n      <td>118.086255</td>\n    </tr>\n    <tr>\n      <th>846</th>\n      <td>Berbamine Hydrochloride</td>\n      <td>SFPGJACKHKXGBH-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 13_EAD</td>\n      <td>CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=...</td>\n      <td>0</td>\n      <td>C37H41ClN2O6</td>\n      <td>COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)...</td>\n      <td>C37H40N2O6</td>\n      <td>0</td>\n      <td>COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)...</td>\n      <td>C37H40N2O6</td>\n      <td>0</td>\n      <td>DFOCUWZXJBAUSQ-UHFFFAOYSA-N</td>\n      <td>608.288637</td>\n    </tr>\n    <tr>\n      <th>899</th>\n      <td>Tubocurarine Chloride</td>\n      <td>MHXYWXHKLBMJKL-QBYKQQEBSA-N</td>\n      <td>PFPpos_P N 14_EAD</td>\n      <td>CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=...</td>\n      <td>0</td>\n      <td>C37H41ClN2O6</td>\n      <td>COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...</td>\n      <td>C37H41N2O6+</td>\n      <td>1</td>\n      <td>COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...</td>\n      <td>C37H41N2O6+</td>\n      <td>1</td>\n      <td>JFJZZMVDLULRGK-UHFFFAOYSA-O</td>\n      <td>609.295913</td>\n    </tr>\n    <tr>\n      <th>917</th>\n      <td>Berberine Chloride</td>\n      <td>VKJGBAJNNALVAV-UHFFFAOYSA-M</td>\n      <td>PFPpos_P N 15_EAD</td>\n      <td>COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)O...</td>\n      <td>0</td>\n      <td>C20H18ClNO4</td>\n      <td>COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2</td>\n      <td>C20H18NO4+</td>\n      <td>1</td>\n      <td>COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2</td>\n      <td>C20H18NO4+</td>\n      <td>1</td>\n      <td>YBHILYKTIRIUTE-UHFFFAOYSA-N</td>\n      <td>336.123034</td>\n    </tr>\n    <tr>\n      <th>927</th>\n      <td>Lupanyl Acid Hydrochloride</td>\n      <td>WHCVEOAUHDJGLW-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 15_EAD</td>\n      <td>C1CCN2CC3CC(C2C1)CNC3CCC(=O)O.Cl</td>\n      <td>0</td>\n      <td>C14H25ClN2O2</td>\n      <td>O=C(O)CCC1NCC2CC1CN1CCCCC21</td>\n      <td>C14H24N2O2</td>\n      <td>0</td>\n      <td>O=C(O)CCC1NCC2CC1CN1CCCCC21</td>\n      <td>C14H24N2O2</td>\n      <td>0</td>\n      <td>PGJCMAPVGINXEQ-UHFFFAOYSA-N</td>\n      <td>252.183778</td>\n    </tr>\n    <tr>\n      <th>932</th>\n      <td>N-Methylbenzylamine Hydrochloride</td>\n      <td>CBSOFSBFHDQRLV-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 15_EAD</td>\n      <td>C[NH2+]CC1=CC=CC=C1.[Cl-]</td>\n      <td>0</td>\n      <td>C8H12ClN</td>\n      <td>C[NH2+]Cc1ccccc1</td>\n      <td>C8H12N+</td>\n      <td>1</td>\n      <td>CNCc1ccccc1</td>\n      <td>C8H11N</td>\n      <td>0</td>\n      <td>RIWRFSMVIUAEBX-UHFFFAOYSA-N</td>\n      <td>121.089149</td>\n    </tr>\n    <tr>\n      <th>939</th>\n      <td>VANCOMYCIN HYDROCHLORIDE</td>\n      <td>LCTORFDMHNKUSG-XTTLPDOESA-N</td>\n      <td>PFPpos_P N 15_EAD</td>\n      <td>CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C...</td>\n      <td>0</td>\n      <td>C66H76Cl3N9O24</td>\n      <td>CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=...</td>\n      <td>C66H75Cl2N9O24</td>\n      <td>0</td>\n      <td>CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=...</td>\n      <td>C66H75Cl2N9O24</td>\n      <td>0</td>\n      <td>MYPYJXKWCTUITO-UHFFFAOYSA-N</td>\n      <td>1447.430200</td>\n    </tr>\n    <tr>\n      <th>994</th>\n      <td>Anabasamine Hydrochloride</td>\n      <td>PFWHFUPRJSEODI-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 17_EAD</td>\n      <td>CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3.Cl</td>\n      <td>0</td>\n      <td>C16H20ClN3</td>\n      <td>CN1CCCCC1c1ccc(-c2cccnc2)nc1</td>\n      <td>C16H19N3</td>\n      <td>0</td>\n      <td>CN1CCCCC1c1ccc(-c2cccnc2)nc1</td>\n      <td>C16H19N3</td>\n      <td>0</td>\n      <td>TZRDBHMKTWECOV-UHFFFAOYSA-N</td>\n      <td>253.157898</td>\n    </tr>\n    <tr>\n      <th>1075</th>\n      <td>Lobeline Hydrochloride</td>\n      <td>MKMYPTLXLWOUSO-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 19_EAD</td>\n      <td>CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.Cl</td>\n      <td>0</td>\n      <td>C22H28ClNO2</td>\n      <td>CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1</td>\n      <td>C22H27NO2</td>\n      <td>0</td>\n      <td>CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1</td>\n      <td>C22H27NO2</td>\n      <td>0</td>\n      <td>MXYUKLILVYORSK-UHFFFAOYSA-N</td>\n      <td>337.204179</td>\n    </tr>\n    <tr>\n      <th>1172</th>\n      <td>Agelasine (Stereochemistry Of Diterpene Unknown)</td>\n      <td>YBNXVKHEQXZPFB-XMMWENQYSA-M</td>\n      <td>PFPpos_P N 22_EAD</td>\n      <td>CC1CCC2(C(C1(C)CCC(=CC[N+]3=CN(C4=C(N=CN=C43)N...</td>\n      <td>0</td>\n      <td>C26H40ClN5</td>\n      <td>CC(=CC[n+]1cn(C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C...</td>\n      <td>C26H40N5+</td>\n      <td>1</td>\n      <td>CC(=CC[n+]1cn(C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C...</td>\n      <td>C26H40N5+</td>\n      <td>1</td>\n      <td>NALGSOQQUZLOIK-UHFFFAOYSA-N</td>\n      <td>422.327823</td>\n    </tr>\n    <tr>\n      <th>1180</th>\n      <td>Cephalosporin C Sodium</td>\n      <td>HZWLVUKHUSRPCG-BJIHTTGYSA-N</td>\n      <td>PFPpos_P N 22_EAD</td>\n      <td>CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC...</td>\n      <td>1</td>\n      <td>C16H21N3NaO8S+</td>\n      <td>CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...</td>\n      <td>C16H21N3O8S</td>\n      <td>0</td>\n      <td>CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...</td>\n      <td>C16H21N3O8S</td>\n      <td>0</td>\n      <td>HOKIDJSKDBPKTQ-UHFFFAOYSA-N</td>\n      <td>415.104936</td>\n    </tr>\n    <tr>\n      <th>1181</th>\n      <td>Cephalosporin C Sodium Cation</td>\n      <td>HZWLVUKHUSRPCG-BJIHTTGYSA-N</td>\n      <td>PFPpos_P N 22_EAD</td>\n      <td>CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC...</td>\n      <td>1</td>\n      <td>C16H21N3NaO8S+</td>\n      <td>CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...</td>\n      <td>C16H21N3O8S</td>\n      <td>0</td>\n      <td>CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...</td>\n      <td>C16H21N3O8S</td>\n      <td>0</td>\n      <td>HOKIDJSKDBPKTQ-UHFFFAOYSA-N</td>\n      <td>415.104936</td>\n    </tr>\n    <tr>\n      <th>1195</th>\n      <td>PUROMYCIN HYDROCHLORIDE</td>\n      <td>MKSVFGKWZLUTTO-FZFAUISWSA-N</td>\n      <td>PFPpos_P N 22_EAD</td>\n      <td>CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC...</td>\n      <td>0</td>\n      <td>C22H31Cl2N7O5</td>\n      <td>COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncn...</td>\n      <td>C22H29N7O5</td>\n      <td>0</td>\n      <td>COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncn...</td>\n      <td>C22H29N7O5</td>\n      <td>0</td>\n      <td>RXWNCPJZOCPEPQ-UHFFFAOYSA-N</td>\n      <td>471.223017</td>\n    </tr>\n    <tr>\n      <th>1228</th>\n      <td>OCTOPAMINE HYDROCHLORIDE</td>\n      <td>PUMZXCBVHLCWQG-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 23_EAD</td>\n      <td>C1=CC(=CC=C1C(C[NH3+])O)O.[Cl-]</td>\n      <td>0</td>\n      <td>C8H12ClNO2</td>\n      <td>[NH3+]CC(O)c1ccc(O)cc1</td>\n      <td>C8H12NO2+</td>\n      <td>1</td>\n      <td>NCC(O)c1ccc(O)cc1</td>\n      <td>C8H11NO2</td>\n      <td>0</td>\n      <td>QHGUCRYDKWKLMG-UHFFFAOYSA-N</td>\n      <td>153.078979</td>\n    </tr>\n    <tr>\n      <th>1245</th>\n      <td>3-Amino-Beta-Pinene</td>\n      <td>SQSDBXYJKLVZJR-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 24_EAD</td>\n      <td>CC1(C2CC1C(=C)C(C2)N)C.Cl</td>\n      <td>0</td>\n      <td>C10H18ClN</td>\n      <td>C=C1C(N)CC2CC1C2(C)C</td>\n      <td>C10H17N</td>\n      <td>0</td>\n      <td>C=C1C(N)CC2CC1C2(C)C</td>\n      <td>C10H17N</td>\n      <td>0</td>\n      <td>ZEKALTOSWFXTCN-UHFFFAOYSA-N</td>\n      <td>151.136100</td>\n    </tr>\n    <tr>\n      <th>1334</th>\n      <td>Pangamic Acid</td>\n      <td>ZQTHOIGMSJMBLM-BUJSFMDZSA-M</td>\n      <td>PFPpos_P N 26_EAD</td>\n      <td>CN(C)CC(=O)OCC(C(C(C(C(=O)[O-])O)O)O)O</td>\n      <td>-1</td>\n      <td>C10H18NO8-</td>\n      <td>CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)[O-]</td>\n      <td>C10H18NO8-</td>\n      <td>-1</td>\n      <td>CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)O</td>\n      <td>C10H19NO8</td>\n      <td>0</td>\n      <td>ZQTHOIGMSJMBLM-UHFFFAOYSA-N</td>\n      <td>281.111067</td>\n    </tr>\n    <tr>\n      <th>1335</th>\n      <td>Pangamic Acid Sodium</td>\n      <td>MKVDFFROCUECAJ-CKDSBIORSA-M</td>\n      <td>PFPpos_P N 26_EAD</td>\n      <td>CN(C)CC(=O)OCC(C(C(C(C(=O)[O-])O)O)O)O.[Na+]</td>\n      <td>0</td>\n      <td>C10H18NNaO8</td>\n      <td>CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)[O-]</td>\n      <td>C10H18NO8-</td>\n      <td>-1</td>\n      <td>CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)O</td>\n      <td>C10H19NO8</td>\n      <td>0</td>\n      <td>ZQTHOIGMSJMBLM-UHFFFAOYSA-N</td>\n      <td>281.111067</td>\n    </tr>\n    <tr>\n      <th>1337</th>\n      <td>Phenacylamine Hydrochloride</td>\n      <td>CVXGFPPAIUELDV-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 26_EAD</td>\n      <td>C1=CC=C(C=C1)C(=O)C[NH3+].[Cl-]</td>\n      <td>0</td>\n      <td>C8H10ClNO</td>\n      <td>[NH3+]CC(=O)c1ccccc1</td>\n      <td>C8H10NO+</td>\n      <td>1</td>\n      <td>NCC(=O)c1ccccc1</td>\n      <td>C8H9NO</td>\n      <td>0</td>\n      <td>HEQOJEGTZCTHCF-UHFFFAOYSA-N</td>\n      <td>135.068414</td>\n    </tr>\n    <tr>\n      <th>1342</th>\n      <td>Salinomycin, Sodium</td>\n      <td>YPZYGIQXBGHDBH-WKWCOTLASA-M</td>\n      <td>PFPpos_P N 26_EAD</td>\n      <td>CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O...</td>\n      <td>0</td>\n      <td>C42H69NaO11</td>\n      <td>CCC(C(=O)[O-])C1CCC(C)C(C(C)C(O)C(C)C(=O)C(CC)...</td>\n      <td>C42H69O11-</td>\n      <td>-1</td>\n      <td>CCC(C(=O)O)C1CCC(C)C(C(C)C(O)C(C)C(=O)C(CC)C2O...</td>\n      <td>C42H70O11</td>\n      <td>0</td>\n      <td>KQXDHUJYNAXLNZ-UHFFFAOYSA-N</td>\n      <td>750.491813</td>\n    </tr>\n    <tr>\n      <th>1345</th>\n      <td>Venlafaxine HCl</td>\n      <td>QYRYFNHXARDNFZ-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 26_EAD</td>\n      <td>CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O.Cl</td>\n      <td>0</td>\n      <td>C17H28ClNO2</td>\n      <td>COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1</td>\n      <td>C17H27NO2</td>\n      <td>0</td>\n      <td>COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1</td>\n      <td>C17H27NO2</td>\n      <td>0</td>\n      <td>PNVNVHUZROJLTJ-UHFFFAOYSA-N</td>\n      <td>277.204179</td>\n    </tr>\n    <tr>\n      <th>1378</th>\n      <td>Palmatine Chloride</td>\n      <td>RLQYRXCUPVKSAW-UHFFFAOYSA-M</td>\n      <td>PFPpos_P N 27_EAD</td>\n      <td>COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O...</td>\n      <td>0</td>\n      <td>C21H22ClNO4</td>\n      <td>COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2</td>\n      <td>C21H22NO4+</td>\n      <td>1</td>\n      <td>COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2</td>\n      <td>C21H22NO4+</td>\n      <td>1</td>\n      <td>QUCQEUCGKKTEBI-UHFFFAOYSA-N</td>\n      <td>352.154335</td>\n    </tr>\n    <tr>\n      <th>1506</th>\n      <td>Cotarnine Chloride</td>\n      <td>UONSFNPHCTWRGS-UHFFFAOYSA-M</td>\n      <td>PFPpos_P N 31_EAD</td>\n      <td>CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3.[Cl-]</td>\n      <td>-1</td>\n      <td>C12H15ClNO4-</td>\n      <td>COc1c2c(cc3c1C(O)N(C)CC3)OCO2</td>\n      <td>C12H15NO4</td>\n      <td>0</td>\n      <td>COc1c2c(cc3c1C(O)N(C)CC3)OCO2</td>\n      <td>C12H15NO4</td>\n      <td>0</td>\n      <td>PAPMYQLKLNRZIR-UHFFFAOYSA-N</td>\n      <td>237.100108</td>\n    </tr>\n    <tr>\n      <th>1554</th>\n      <td>Riboflavin 5-Phosphate Sodium</td>\n      <td>OHSHFZJLPYLRIP-BMZHGHOISA-M</td>\n      <td>PFPpos_P N 32_EAD</td>\n      <td>CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(...</td>\n      <td>0</td>\n      <td>C17H20N4NaO9P</td>\n      <td>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(...</td>\n      <td>C17H20N4O9P-</td>\n      <td>-1</td>\n      <td>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(...</td>\n      <td>C17H21N4O9P</td>\n      <td>0</td>\n      <td>FVTCRASFADXXNN-UHFFFAOYSA-N</td>\n      <td>456.104615</td>\n    </tr>\n    <tr>\n      <th>1578</th>\n      <td>Biliverdin Hydrochloride</td>\n      <td>OZCVSEGCSGTCIO-FVHLCMSXSA-N</td>\n      <td>PFPpos_P N 33_EAD</td>\n      <td>CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)...</td>\n      <td>0</td>\n      <td>C33H35ClN4O6</td>\n      <td>C=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(C=C4NC(=O)C(C)...</td>\n      <td>C33H34N4O6</td>\n      <td>0</td>\n      <td>C=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(C=C4NC(=O)C(C)...</td>\n      <td>C33H34N4O6</td>\n      <td>0</td>\n      <td>RCNSAJSGRJSBKK-UHFFFAOYSA-N</td>\n      <td>582.247835</td>\n    </tr>\n    <tr>\n      <th>1583</th>\n      <td>Coralyne</td>\n      <td>PDYBUYVOPAJLKP-UHFFFAOYSA-M</td>\n      <td>PFPpos_P N 33_EAD</td>\n      <td>CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC...</td>\n      <td>0</td>\n      <td>C22H22ClNO4</td>\n      <td>COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC</td>\n      <td>C22H22NO4+</td>\n      <td>1</td>\n      <td>COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC</td>\n      <td>C22H22NO4+</td>\n      <td>1</td>\n      <td>GOEJQGGEIVSVOK-UHFFFAOYSA-N</td>\n      <td>364.154335</td>\n    </tr>\n    <tr>\n      <th>1584</th>\n      <td>Coralyne Chloride</td>\n      <td>PDYBUYVOPAJLKP-UHFFFAOYSA-M</td>\n      <td>PFPpos_P N 33_EAD</td>\n      <td>CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC...</td>\n      <td>0</td>\n      <td>C22H22ClNO4</td>\n      <td>COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC</td>\n      <td>C22H22NO4+</td>\n      <td>1</td>\n      <td>COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC</td>\n      <td>C22H22NO4+</td>\n      <td>1</td>\n      <td>GOEJQGGEIVSVOK-UHFFFAOYSA-N</td>\n      <td>364.154335</td>\n    </tr>\n    <tr>\n      <th>1629</th>\n      <td>Pelletierine Hydrochloride</td>\n      <td>FMOKUKPRJSMPOI-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 34_EAD</td>\n      <td>CC(=O)CC1CCCCN1.Cl</td>\n      <td>0</td>\n      <td>C8H16ClNO</td>\n      <td>CC(=O)CC1CCCCN1</td>\n      <td>C8H15NO</td>\n      <td>0</td>\n      <td>CC(=O)CC1CCCCN1</td>\n      <td>C8H15NO</td>\n      <td>0</td>\n      <td>JEIZLWNUBXHADF-UHFFFAOYSA-N</td>\n      <td>141.115364</td>\n    </tr>\n  </tbody>\n</table>\n</div>"
     },
     "execution_count": 42,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "std_list_pfp_salt"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "outputs": [],
   "source": [
    "mol = Chem.MolFromSmiles(std_list_pfp_salt.iloc[6]['uncharged_smiles'])\n",
    "# substructure = Chem.MolFromSmarts('[HCl]')\n",
    "# print(mol.GetSubstructMatches(substructure))\n",
    "# mol\n",
    "im = Chem.Draw.MolToImage(mol)\n",
    "im.save(os.path.join(source_dir, 'test_uncharged.png'))"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "outputs": [],
   "source": [
    "from rdkit.Chem.Draw import rdMolDraw2D"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "outputs": [],
   "source": [
    "d = rdMolDraw2D.MolDraw2DSVG(500, 500) # or MolDraw2DCairo to get PNGs\n",
    "hit_ats=list(mol.GetSubstructMatch(substructure))\n",
    "test =rdMolDraw2D.PrepareAndDrawMolecule(d, mol, highlightAtoms=hit_ats)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 39,
   "outputs": [],
   "source": [
    "test"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 600,
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
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      "[21:01:04] Removed negative charge.\n",
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      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Removed negative charge.\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Removed negative charge.\n",
      "[21:01:04] Removed negative charge.\n",
      "[21:01:04] Removed negative charge.\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Removed negative charge.\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:04] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed positive charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed positive charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed positive charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
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      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Removed positive charge.\n",
      "[21:01:05] Removed positive charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
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      "[21:01:05] Running Uncharger\n",
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      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
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      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
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      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Removed negative charge.\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:05] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
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      "[21:01:06] Removed negative charge.\n",
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      "[21:01:06] Removed negative charge.\n",
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      "[21:01:06] Removed negative charge.\n",
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      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Removed negative charge.\n",
      "[21:01:06] Running Uncharger\n",
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      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n",
      "[21:01:06] Running Uncharger\n"
     ]
    }
   ],
   "source": [
    "from toolsets.adduct_calculator import neutrilize_salt_df\n",
    "for list in [std_list_pfp, std_list_hilic]:\n",
    "    list = neutrilize_salt_df(list, '[Na+,K+,Cl-,HCl]')"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "outputs": [
    {
     "ename": "NameError",
     "evalue": "name 'std_list_hilic' is not defined",
     "output_type": "error",
     "traceback": [
      "\u001B[0;31m---------------------------------------------------------------------------\u001B[0m",
      "\u001B[0;31mNameError\u001B[0m                                 Traceback (most recent call last)",
      "Input \u001B[0;32mIn [1]\u001B[0m, in \u001B[0;36m<cell line: 1>\u001B[0;34m()\u001B[0m\n\u001B[0;32m----> 1\u001B[0m \u001B[43mstd_list_hilic\u001B[49m\n",
      "\u001B[0;31mNameError\u001B[0m: name 'std_list_hilic' is not defined"
     ]
    }
   ],
   "source": [
    "monoisotopic_mass = []\n",
    "for index, row in std_list_pfp.iterrows():\n",
    "    mol_ = check_mol(row['uncharged_smiles'])\n",
    "    monoisotopic_mass.append(ExactMolWt(mol_))\n",
    "std_list_pfp['monoisotopic_mass']=monoisotopic_mass\n",
    "monoisotopic_mass = []\n",
    "for index, row in std_list_hilic.iterrows():\n",
    "    mol_ = check_mol(row['uncharged_smiles'])\n",
    "    monoisotopic_mass.append(ExactMolWt(mol_))\n",
    "std_list_hilic['monoisotopic_mass']=monoisotopic_mass"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "outputs": [],
   "source": [
    "std_list_pfp.to_csv(os.path.join(source_dir, \"PFP_std_list_crude.csv\"), index = False)\n",
    "std_list_hilic.to_csv(os.path.join(source_dir, \"HILIC_std_list_crude.csv\"), index = False)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "outputs": [],
   "source": [],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "outputs": [
    {
     "data": {
      "text/plain": "Index(['name', 'inchikey', 'mix', 'smiles_fetched', 'formal_charges',\n       'formula_fetched', 'stripped_smiles', 'stripped_formula',\n       'stripped_formal_charges', 'uncharged_smiles', 'uncharged_formula',\n       'uncharged_formal_charges', 'uncharged_inchikey'],\n      dtype='object')"
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "std_list_pfp.columns"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "outputs": [],
   "source": [
    "from rdkit.Chem.Descriptors import ExactMolWt\n",
    "from toolsets.std_list_prep import check_mol"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 592,
   "outputs": [
    {
     "data": {
      "text/plain": "                                                   name  \\\n557                                             CHOLINE   \n558                                      CHOLINE Cation   \n898                                        Tubocurarine   \n915                                           Berberine   \n916                                    Berberine Cation   \n1059                 19-Methyl-10-oxostrychnidin-19-ium   \n1060          19-Methyl-10-oxostrychnidin-19-ium Cation   \n1173                                        Agelasine B   \n1180                             Cephalosporin C Sodium   \n1181                      Cephalosporin C Sodium Cation   \n1273  [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3...   \n1274  [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3...   \n1303                                       SANGUINARINE   \n1307                                           THIAMINE   \n1334                                      Pangamic Acid   \n1343                                         Spegatrine   \n1344                                  Spegatrine Cation   \n1376                                          Palmatine   \n1377                                   Palmatine Cation   \n1506                                 Cotarnine Chloride   \n\n                         inchikey          Mix label  \\\n557   OEYIOHPDSNJKLS-UHFFFAOYSA-N   PFPpos_P N 5_EAD   \n558   OEYIOHPDSNJKLS-UHFFFAOYSA-N   PFPpos_P N 5_EAD   \n898   JFJZZMVDLULRGK-URLMMPGGSA-O  PFPpos_P N 14_EAD   \n915   YBHILYKTIRIUTE-UHFFFAOYSA-N  PFPpos_P N 15_EAD   \n916   YBHILYKTIRIUTE-UHFFFAOYSA-N  PFPpos_P N 15_EAD   \n1059  CTCZKABHVPGYMK-UHFFFAOYSA-N  PFPpos_P N 19_EAD   \n1060  CTCZKABHVPGYMK-UHFFFAOYSA-N  PFPpos_P N 19_EAD   \n1173  YCSGSEAQYPDNAQ-FGOPRVDBSA-N  PFPpos_P N 22_EAD   \n1180  HZWLVUKHUSRPCG-BJIHTTGYSA-N  PFPpos_P N 22_EAD   \n1181  HZWLVUKHUSRPCG-BJIHTTGYSA-N  PFPpos_P N 22_EAD   \n1273  MUQNMJSHMPEZCV-JHCRVGSQSA-O  PFPpos_P N 25_EAD   \n1274  MUQNMJSHMPEZCV-JHCRVGSQSA-O  PFPpos_P N 25_EAD   \n1303  INVGWHRKADIJHF-UHFFFAOYSA-N  PFPpos_P N 25_EAD   \n1307  JZRWCGZRTZMZEH-UHFFFAOYSA-N  PFPpos_P N 25_EAD   \n1334  ZQTHOIGMSJMBLM-BUJSFMDZSA-M  PFPpos_P N 26_EAD   \n1343  DOTYYDUNWITJSJ-SYMHJQAPSA-O  PFPpos_P N 26_EAD   \n1344  DOTYYDUNWITJSJ-SYMHJQAPSA-O  PFPpos_P N 26_EAD   \n1376  QUCQEUCGKKTEBI-UHFFFAOYSA-N  PFPpos_P N 27_EAD   \n1377  QUCQEUCGKKTEBI-UHFFFAOYSA-N  PFPpos_P N 27_EAD   \n1506  UONSFNPHCTWRGS-UHFFFAOYSA-M  PFPpos_P N 31_EAD   \n\n                                         smiles_fetched  formal_charges  \\\n557                                      C[N+](C)(C)CCO               1   \n558                                      C[N+](C)(C)CCO               1   \n898   CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=...               1   \n915   COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)O...               1   \n916   COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)O...               1   \n1059  C[N+]12CCC34C1CC5C6C3N(C(=O)CC6OCC=C5C2)C7=CC=...               1   \n1060  C[N+]12CCC34C1CC5C6C3N(C(=O)CC6OCC=C5C2)C7=CC=...               1   \n1173  CC1CCC2(C(C1(C)CCC(=CCN3C=[N+](C4=NC=NC(=C43)N...               1   \n1180  CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC...               1   \n1181  CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC...               1   \n1273  COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OCC3C(C...               1   \n1274  COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OCC3C(C...               1   \n1303  C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C...               1   \n1307                 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO               1   \n1334             CN(C)CC(=O)OCC(C(C(C(C(=O)[O-])O)O)O)O              -1   \n1343   CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)O)CO)C               1   \n1344   CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)O)CO)C               1   \n1376  COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O...               1   \n1377  COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O...               1   \n1506               CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3.[Cl-]              -1   \n\n                                        stripped_smiles stripped_formulas  \\\n557                                      C[N+](C)(C)CCO          C5H14NO+   \n558                                      C[N+](C)(C)CCO          C5H14NO+   \n898   COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...       C37H41N2O6+   \n915         COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2        C20H18NO4+   \n916         COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2        C20H18NO4+   \n1059  C[N+]12CCC34c5ccccc5N5C(=O)CC6OCC=C(C1)C(CC32)...       C22H25N2O2+   \n1060  C[N+]12CCC34c5ccccc5N5C(=O)CC6OCC=C(C1)C(CC32)...       C22H25N2O2+   \n1173  CC(=CCn1c[n+](C)c2ncnc(N)c21)CCC1(C)C(C)CCC2(C...         C26H40N5+   \n1180  CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...       C16H21N3O8S   \n1181  CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...       C16H21N3O8S   \n1273  COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc...        C42H47O23+   \n1274  COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc...        C42H47O23+   \n1303       C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3        C20H14NO4+   \n1307                    Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1       C12H17N4OS+   \n1334             CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)[O-]        C10H18NO8-   \n1343    CC=C1C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccc(O)cc12       C20H25N2O2+   \n1344    CC=C1C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccc(O)cc12       C20H25N2O2+   \n1376       COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2        C21H22NO4+   \n1377       COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2        C21H22NO4+   \n1506                      COc1c2c(cc3c1C(O)N(C)CC3)OCO2         C12H15NO4   \n\n      stripped_formal_charges  \\\n557                         1   \n558                         1   \n898                         1   \n915                         1   \n916                         1   \n1059                        1   \n1060                        1   \n1173                        1   \n1180                        0   \n1181                        0   \n1273                        1   \n1274                        1   \n1303                        1   \n1307                        1   \n1334                       -1   \n1343                        1   \n1344                        1   \n1376                        1   \n1377                        1   \n1506                        0   \n\n                                       uncharged_smiles uncharged_formulas  \\\n557                                      C[N+](C)(C)CCO           C5H14NO+   \n558                                      C[N+](C)(C)CCO           C5H14NO+   \n898   COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...        C37H41N2O6+   \n915         COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2         C20H18NO4+   \n916         COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2         C20H18NO4+   \n1059  C[N+]12CCC34c5ccccc5N5C(=O)CC6OCC=C(C1)C(CC32)...        C22H25N2O2+   \n1060  C[N+]12CCC34c5ccccc5N5C(=O)CC6OCC=C(C1)C(CC32)...        C22H25N2O2+   \n1173  CC(=CCn1c[n+](C)c2ncnc(N)c21)CCC1(C)C(C)CCC2(C...          C26H40N5+   \n1180  CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...        C16H21N3O8S   \n1181  CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...        C16H21N3O8S   \n1273  COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc...         C42H47O23+   \n1274  COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc...         C42H47O23+   \n1303       C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3         C20H14NO4+   \n1307                    Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1        C12H17N4OS+   \n1334                CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)O          C10H19NO8   \n1343    CC=C1C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccc(O)cc12        C20H25N2O2+   \n1344    CC=C1C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccc(O)cc12        C20H25N2O2+   \n1376       COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2         C21H22NO4+   \n1377       COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2         C21H22NO4+   \n1506                      COc1c2c(cc3c1C(O)N(C)CC3)OCO2          C12H15NO4   \n\n      uncharged_formal_charges  \n557                          1  \n558                          1  \n898                          1  \n915                          1  \n916                          1  \n1059                         1  \n1060                         1  \n1173                         1  \n1180                         0  \n1181                         0  \n1273                         1  \n1274                         1  \n1303                         1  \n1307                         1  \n1334                         0  \n1343                         1  \n1344                         1  \n1376                         1  \n1377                         1  \n1506                         0  ",
      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>name</th>\n      <th>inchikey</th>\n      <th>Mix label</th>\n      <th>smiles_fetched</th>\n      <th>formal_charges</th>\n      <th>stripped_smiles</th>\n      <th>stripped_formulas</th>\n      <th>stripped_formal_charges</th>\n      <th>uncharged_smiles</th>\n      <th>uncharged_formulas</th>\n      <th>uncharged_formal_charges</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>557</th>\n      <td>CHOLINE</td>\n      <td>OEYIOHPDSNJKLS-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 5_EAD</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>C5H14NO+</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>C5H14NO+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>558</th>\n      <td>CHOLINE Cation</td>\n      <td>OEYIOHPDSNJKLS-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 5_EAD</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>C5H14NO+</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>C5H14NO+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>898</th>\n      <td>Tubocurarine</td>\n      <td>JFJZZMVDLULRGK-URLMMPGGSA-O</td>\n      <td>PFPpos_P N 14_EAD</td>\n      <td>CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=...</td>\n      <td>1</td>\n      <td>COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...</td>\n      <td>C37H41N2O6+</td>\n      <td>1</td>\n      <td>COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...</td>\n      <td>C37H41N2O6+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>915</th>\n      <td>Berberine</td>\n      <td>YBHILYKTIRIUTE-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 15_EAD</td>\n      <td>COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)O...</td>\n      <td>1</td>\n      <td>COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2</td>\n      <td>C20H18NO4+</td>\n      <td>1</td>\n      <td>COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2</td>\n      <td>C20H18NO4+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>916</th>\n      <td>Berberine Cation</td>\n      <td>YBHILYKTIRIUTE-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 15_EAD</td>\n      <td>COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)O...</td>\n      <td>1</td>\n      <td>COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2</td>\n      <td>C20H18NO4+</td>\n      <td>1</td>\n      <td>COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2</td>\n      <td>C20H18NO4+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1059</th>\n      <td>19-Methyl-10-oxostrychnidin-19-ium</td>\n      <td>CTCZKABHVPGYMK-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 19_EAD</td>\n      <td>C[N+]12CCC34C1CC5C6C3N(C(=O)CC6OCC=C5C2)C7=CC=...</td>\n      <td>1</td>\n      <td>C[N+]12CCC34c5ccccc5N5C(=O)CC6OCC=C(C1)C(CC32)...</td>\n      <td>C22H25N2O2+</td>\n      <td>1</td>\n      <td>C[N+]12CCC34c5ccccc5N5C(=O)CC6OCC=C(C1)C(CC32)...</td>\n      <td>C22H25N2O2+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1060</th>\n      <td>19-Methyl-10-oxostrychnidin-19-ium Cation</td>\n      <td>CTCZKABHVPGYMK-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 19_EAD</td>\n      <td>C[N+]12CCC34C1CC5C6C3N(C(=O)CC6OCC=C5C2)C7=CC=...</td>\n      <td>1</td>\n      <td>C[N+]12CCC34c5ccccc5N5C(=O)CC6OCC=C(C1)C(CC32)...</td>\n      <td>C22H25N2O2+</td>\n      <td>1</td>\n      <td>C[N+]12CCC34c5ccccc5N5C(=O)CC6OCC=C(C1)C(CC32)...</td>\n      <td>C22H25N2O2+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1173</th>\n      <td>Agelasine B</td>\n      <td>YCSGSEAQYPDNAQ-FGOPRVDBSA-N</td>\n      <td>PFPpos_P N 22_EAD</td>\n      <td>CC1CCC2(C(C1(C)CCC(=CCN3C=[N+](C4=NC=NC(=C43)N...</td>\n      <td>1</td>\n      <td>CC(=CCn1c[n+](C)c2ncnc(N)c21)CCC1(C)C(C)CCC2(C...</td>\n      <td>C26H40N5+</td>\n      <td>1</td>\n      <td>CC(=CCn1c[n+](C)c2ncnc(N)c21)CCC1(C)C(C)CCC2(C...</td>\n      <td>C26H40N5+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1180</th>\n      <td>Cephalosporin C Sodium</td>\n      <td>HZWLVUKHUSRPCG-BJIHTTGYSA-N</td>\n      <td>PFPpos_P N 22_EAD</td>\n      <td>CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC...</td>\n      <td>1</td>\n      <td>CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...</td>\n      <td>C16H21N3O8S</td>\n      <td>0</td>\n      <td>CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...</td>\n      <td>C16H21N3O8S</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>1181</th>\n      <td>Cephalosporin C Sodium Cation</td>\n      <td>HZWLVUKHUSRPCG-BJIHTTGYSA-N</td>\n      <td>PFPpos_P N 22_EAD</td>\n      <td>CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC...</td>\n      <td>1</td>\n      <td>CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...</td>\n      <td>C16H21N3O8S</td>\n      <td>0</td>\n      <td>CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O...</td>\n      <td>C16H21N3O8S</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>1273</th>\n      <td>[(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3...</td>\n      <td>MUQNMJSHMPEZCV-JHCRVGSQSA-O</td>\n      <td>PFPpos_P N 25_EAD</td>\n      <td>COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OCC3C(C...</td>\n      <td>1</td>\n      <td>COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc...</td>\n      <td>C42H47O23+</td>\n      <td>1</td>\n      <td>COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc...</td>\n      <td>C42H47O23+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1274</th>\n      <td>[(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3...</td>\n      <td>MUQNMJSHMPEZCV-JHCRVGSQSA-O</td>\n      <td>PFPpos_P N 25_EAD</td>\n      <td>COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OCC3C(C...</td>\n      <td>1</td>\n      <td>COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc...</td>\n      <td>C42H47O23+</td>\n      <td>1</td>\n      <td>COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc...</td>\n      <td>C42H47O23+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1303</th>\n      <td>SANGUINARINE</td>\n      <td>INVGWHRKADIJHF-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 25_EAD</td>\n      <td>C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C...</td>\n      <td>1</td>\n      <td>C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3</td>\n      <td>C20H14NO4+</td>\n      <td>1</td>\n      <td>C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3</td>\n      <td>C20H14NO4+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1307</th>\n      <td>THIAMINE</td>\n      <td>JZRWCGZRTZMZEH-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 25_EAD</td>\n      <td>CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO</td>\n      <td>1</td>\n      <td>Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1</td>\n      <td>C12H17N4OS+</td>\n      <td>1</td>\n      <td>Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1</td>\n      <td>C12H17N4OS+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1334</th>\n      <td>Pangamic Acid</td>\n      <td>ZQTHOIGMSJMBLM-BUJSFMDZSA-M</td>\n      <td>PFPpos_P N 26_EAD</td>\n      <td>CN(C)CC(=O)OCC(C(C(C(C(=O)[O-])O)O)O)O</td>\n      <td>-1</td>\n      <td>CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)[O-]</td>\n      <td>C10H18NO8-</td>\n      <td>-1</td>\n      <td>CN(C)CC(=O)OCC(O)C(O)C(O)C(O)C(=O)O</td>\n      <td>C10H19NO8</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>1343</th>\n      <td>Spegatrine</td>\n      <td>DOTYYDUNWITJSJ-SYMHJQAPSA-O</td>\n      <td>PFPpos_P N 26_EAD</td>\n      <td>CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)O)CO)C</td>\n      <td>1</td>\n      <td>CC=C1C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccc(O)cc12</td>\n      <td>C20H25N2O2+</td>\n      <td>1</td>\n      <td>CC=C1C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccc(O)cc12</td>\n      <td>C20H25N2O2+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1344</th>\n      <td>Spegatrine Cation</td>\n      <td>DOTYYDUNWITJSJ-SYMHJQAPSA-O</td>\n      <td>PFPpos_P N 26_EAD</td>\n      <td>CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)O)CO)C</td>\n      <td>1</td>\n      <td>CC=C1C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccc(O)cc12</td>\n      <td>C20H25N2O2+</td>\n      <td>1</td>\n      <td>CC=C1C[N+]2(C)C3CC1C(CO)C2Cc1c3[nH]c2ccc(O)cc12</td>\n      <td>C20H25N2O2+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1376</th>\n      <td>Palmatine</td>\n      <td>QUCQEUCGKKTEBI-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 27_EAD</td>\n      <td>COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O...</td>\n      <td>1</td>\n      <td>COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2</td>\n      <td>C21H22NO4+</td>\n      <td>1</td>\n      <td>COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2</td>\n      <td>C21H22NO4+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1377</th>\n      <td>Palmatine Cation</td>\n      <td>QUCQEUCGKKTEBI-UHFFFAOYSA-N</td>\n      <td>PFPpos_P N 27_EAD</td>\n      <td>COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O...</td>\n      <td>1</td>\n      <td>COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2</td>\n      <td>C21H22NO4+</td>\n      <td>1</td>\n      <td>COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2</td>\n      <td>C21H22NO4+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1506</th>\n      <td>Cotarnine Chloride</td>\n      <td>UONSFNPHCTWRGS-UHFFFAOYSA-M</td>\n      <td>PFPpos_P N 31_EAD</td>\n      <td>CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3.[Cl-]</td>\n      <td>-1</td>\n      <td>COc1c2c(cc3c1C(O)N(C)CC3)OCO2</td>\n      <td>C12H15NO4</td>\n      <td>0</td>\n      <td>COc1c2c(cc3c1C(O)N(C)CC3)OCO2</td>\n      <td>C12H15NO4</td>\n      <td>0</td>\n    </tr>\n  </tbody>\n</table>\n</div>"
     },
     "execution_count": 592,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "string_search(std_list_pfp, 'formal_charges', 0, reverse=True)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "markdown",
   "source": [
    "# # preparing std_list for UVPD library"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%% md\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "outputs": [],
   "source": [
    "# from toolsets.API_gets import GNPS_get, pubchem_get\n",
    "# # GNPS_get('inchikey', row['inchikey'], 'smiles')\n",
    "# smiles = []\n",
    "# for index, row in tqdm(std_list_pos.iterrows(), total=len(std_list_pos)):\n",
    "#     try:\n",
    "#         smiles.append(pubchem_get(content= row['inchikey']))\n",
    "#     except:\n",
    "#         smiles.append(np.NAN)\n",
    "# std_list_pos['smiles_fetched']=smiles\n",
    "# smiles = []\n",
    "# for index, row in tqdm(std_list_neg.iterrows(), total=len(std_list_neg)):\n",
    "#     try:\n",
    "#         smiles.append(pubchem_get(content= row['inchikey']))\n",
    "#     except:\n",
    "#         smiles.append(np.NAN)\n",
    "# std_list_neg['smiles_fetched']=smiles\n",
    "#\n",
    "# std_list_pos.to_csv(os.path.join(source_dir, \"std_list_pos_crude.csv\"), index = False)\n",
    "# std_list_neg.to_csv(os.path.join(source_dir, \"std_list_neg_crude.csv\"), index = False)\n",
    "# std_list = pd.read_csv(os.path.join(source_dir, 'std_list_pos_crude.csv'))\n",
    "# std_list.at[1893, 'Formula']='C12H14ClNO3'\n",
    "# std_list.at[1893, 'inchikey']='BWQAGVANIBSWBW-UHFFFAOYSA-M'\n",
    "# std_list.at[1893, 'smiles_fetched']='C[N+]1=CC2=C(C3=C(C=C2CC1)OCO3)OC.[Cl-]'\n",
    "# std_list.drop_duplicates(subset=['inchikey'], inplace=True, keep = 'last')\n",
    "# from rdkit import Chem\n",
    "# formal_charges = []\n",
    "# for index, row in std_list.iterrows():\n",
    "#     mol = Chem.MolFromSmiles(row['smiles_fetched'])\n",
    "#     formal_charges.append(Chem.GetFormalCharge(mol))\n",
    "# std_list['formal_charges']=formal_charges\n",
    "# std_list_formula = complete_formula(std_list, 'smiles_fetched')\n",
    "# std_list_formula.reset_index(inplace=True, drop=True)\n",
    "# string_search(std_list_formula, 'formal_charges', 0, reverse=True)\n",
    "# std_list_formula.at[1707, 'Formula_fetched']='C10H19NO8'\n",
    "# std_list_formula.at[1707, 'inchikey']='ZQTHOIGMSJMBLM-BUJSFMDZSA-N'\n",
    "# std_list_formula.at[1707, 'smiles_fetched']='CN(C)CC(=O)OCC(C(C(C(C(=O)O)O)O)O)O'\n",
    "#\n",
    "# std_list_formula.head()\n",
    "# std_list_formula.to_csv(os.path.join(source_dir, \"std_list_inchikey_fixed.csv\"), index = False)\n",
    "# std_list_formula.head()"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "markdown",
   "source": [
    "# dealing with salts/charged molecules"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%% md\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 402,
   "outputs": [],
   "source": [
    "std_list_crude = pd.read_csv(os.path.join(source_dir, \"std_list_inchikey_fixed.csv\"))"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 403,
   "outputs": [
    {
     "data": {
      "text/plain": "Index(['Mix', 'Name', 'Formula_fetched', 'Formula', 'inchikey',\n       'smiles_fetched', 'formal_charges'],\n      dtype='object')"
     },
     "execution_count": 403,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "std_list_crude.columns"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 404,
   "outputs": [],
   "source": [
    "from toolsets.adduct_calculator import check_salt\n",
    "pos_salt_found = []\n",
    "neg_salt_found = []\n",
    "for index, row in std_list_crude.iterrows():\n",
    "    pos_salt_found.append(check_salt(row['smiles_fetched'],salts_smart='[Na+,K+]'))\n",
    "    neg_salt_found.append(check_salt(row['smiles_fetched'],salts_smart='[Cl-,HCl]'))\n",
    "std_list_crude['pos_salt_found']=pos_salt_found\n",
    "std_list_crude['neg_salt_found']=neg_salt_found"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 405,
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
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      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Removed negative charge.\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Removed negative charge.\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:33] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Removed positive charge.\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Removed positive charge.\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
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      "[16:33:34] Running Uncharger\n",
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      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Removed positive charge.\n",
      "[16:33:34] Running Uncharger\n",
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      "[16:33:34] Running Uncharger\n",
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      "[16:33:34] Removed negative charge.\n",
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      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
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      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Removed negative charge.\n",
      "[16:33:34] Removed positive charge.\n",
      "[16:33:34] Removed positive charge.\n",
      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n",
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      "[16:33:34] Running Uncharger\n",
      "[16:33:34] Running Uncharger\n"
     ]
    }
   ],
   "source": [
    "from toolsets.adduct_calculator import neutrilize_salt_df\n",
    "std_list_neutrilized = neutrilize_salt_df(std_list_crude, '[Na+,K+,Cl-,HCl]')"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 485,
   "outputs": [],
   "source": [
    "pos_salt = string_search(std_list_neutrilized, 'pos_salt_found', 0, reverse= True)\n",
    "pos_salt.reset_index(inplace=True, drop=True)\n",
    "neg_salt = string_search(std_list_neutrilized, 'neg_salt_found', 0, reverse= True)\n",
    "neg_salt.reset_index(inplace=True, drop=True)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 516,
   "outputs": [
    {
     "data": {
      "text/plain": "                                 Mix  \\\n0   BEHC18_pos_R63_MX11_PFP_NP_PN_01   \n1   BEHC18_pos_R63_MX11_PFP_NP_PN_01   \n2   BEHC18_pos_R65_MX13_PFP_NP_PN_03   \n3   BEHC18_pos_R67_MX15_PFP_NP_PN_05   \n4   BEHC18_pos_R68_MX16_PFP_NP_PN_06   \n5   BEHC18_pos_R70_MX18_PFP_NP_PN_08   \n6   BEHC18_pos_R72_MX20_PFP_NP_PN_10   \n7   BEHC18_pos_R72_MX20_PFP_NP_PN_10   \n8   BEHC18_pos_R74_MX22_PFP_NP_PN_12   \n9   BEHC18_pos_R75_MX23_PFP_NP_PN_13   \n10  BEHC18_pos_R76_MX24_PFP_NP_PN_14   \n11  BEHC18_pos_R77_MX25_PFP_NP_PN_15   \n12  BEHC18_pos_R77_MX25_PFP_NP_PN_15   \n13  BEHC18_pos_R77_MX25_PFP_NP_PN_15   \n14  BEHC18_pos_R77_MX25_PFP_NP_PN_15   \n15  BEHC18_pos_R79_MX27_PFP_NP_PN_17   \n16  BEHC18_pos_R81_MX29_PFP_NP_PN_19   \n17  BEHC18_pos_R84_MX32_PFP_NP_PN_22   \n18  BEHC18_pos_R84_MX32_PFP_NP_PN_22   \n19  BEHC18_pos_R85_MX33_PFP_NP_PN_23   \n20  BEHC18_pos_R86_MX34_PFP_NP_PN_24   \n21  BEHC18_pos_R88_MX36_PFP_NP_PN_26   \n22  BEHC18_pos_R88_MX36_PFP_NP_PN_26   \n23  BEHC18_pos_R89_MX37_PFP_NP_PN_27   \n24  BEHC18_pos_R93_MX41_PFP_NP_PN_31   \n25  BEHC18_pos_R95_MX43_PFP_NP_PN_33   \n26  BEHC18_pos_R95_MX43_PFP_NP_PN_33   \n27  BEHC18_pos_R96_MX44_PFP_NP_PN_34   \n\n                                                Name Formula_fetched  \\\n0                       Carnitine (Dl) Hydrochloride      C7H16ClNO3   \n1                         PUTRESCINE DIHYDROCHLORIDE      C4H14Cl2N2   \n2                             NALOXONE HYDROCHLORIDE     C19H22ClNO4   \n3                                   CHOLINE CHLORIDE       C5H14ClNO   \n4                            Anabasine Hydrochloride      C10H15ClN2   \n5                          HISTAMINE DIHYDROCHLORIDE      C5H11Cl2N3   \n6                          Kasugamycin Hydrochloride    C14H26ClN3O9   \n7                      PSEUDOEPHEDRINE HYDROCHLORIDE      C10H16ClNO   \n8                              BETAINE HYDROCHLORIDE      C5H12ClNO2   \n9                            Berbamine Hydrochloride    C37H41ClN2O6   \n10                             Tubocurarine Chloride    C37H41ClN2O6   \n11                                Berberine Chloride     C20H18ClNO4   \n12                        Lupanyl Acid Hydrochloride    C14H25ClN2O2   \n13                 N-Methylbenzylamine Hydrochloride        C8H12ClN   \n14                          VANCOMYCIN HYDROCHLORIDE  C66H76Cl3N9O24   \n15                         Anabasamine Hydrochloride      C16H20ClN3   \n16                            Lobeline Hydrochloride     C22H28ClNO2   \n17  Agelasine (Stereochemistry Of Diterpene Unknown)      C26H40ClN5   \n18                           PUROMYCIN HYDROCHLORIDE   C22H31Cl2N7O5   \n19                          OCTOPAMINE HYDROCHLORIDE      C8H12ClNO2   \n20                               3-Amino-Beta-Pinene       C10H18ClN   \n21                       Phenacylamine Hydrochloride       C8H10ClNO   \n22                                   Venlafaxine HCl     C17H28ClNO2   \n23                                Palmatine Chloride     C21H22ClNO4   \n24                                Cotarnine Chloride     C12H14ClNO3   \n25                          Biliverdin Hydrochloride    C33H35ClN4O6   \n26                                 Coralyne Chloride     C22H22ClNO4   \n27                        Pelletierine Hydrochloride       C8H16ClNO   \n\n           Formula                     inchikey  \\\n0       C7H16ClNO3  JXXCENBLGFBQJM-UHFFFAOYSA-N   \n1       C4H14Cl2N2  XXWCODXIQWIHQN-UHFFFAOYSA-N   \n2      C19H22ClNO4  RGPDIGOSVORSAK-STHHAXOLSA-N   \n3        C5H14ClNO  SGMZJAMFUVOLNK-UHFFFAOYSA-M   \n4       C10H15ClN2  VTMZQNZVYCJLGG-UHFFFAOYSA-N   \n5       C5H11Cl2N3  PPZMYIBUHIPZOS-UHFFFAOYSA-N   \n6     C14H26ClN3O9  ZDRBJJNXJOSCLR-YZKQBBCCSA-N   \n7       C10H16ClNO  BALXUFOVQVENIU-KXNXZCPBSA-N   \n8       C5H12ClNO2  HOPSCVCBEOCPJZ-UHFFFAOYSA-N   \n9     C37H41ClN2O6  SFPGJACKHKXGBH-UHFFFAOYSA-N   \n10    C37H41ClN2O6  MHXYWXHKLBMJKL-QBYKQQEBSA-N   \n11     C20H18ClNO4  VKJGBAJNNALVAV-UHFFFAOYSA-M   \n12    C14H25ClN2O2  WHCVEOAUHDJGLW-UHFFFAOYSA-N   \n13        C8H12ClN  CBSOFSBFHDQRLV-UHFFFAOYSA-N   \n14  C66H76Cl3N9O24  LCTORFDMHNKUSG-XTTLPDOESA-N   \n15      C16H20ClN3  PFWHFUPRJSEODI-UHFFFAOYSA-N   \n16     C22H28ClNO2  MKMYPTLXLWOUSO-UHFFFAOYSA-N   \n17      C26H40ClN5  YBNXVKHEQXZPFB-XMMWENQYSA-M   \n18   C22H31Cl2N7O5  MKSVFGKWZLUTTO-FZFAUISWSA-N   \n19      C8H12ClNO2  PUMZXCBVHLCWQG-UHFFFAOYSA-N   \n20       C10H18ClN  SQSDBXYJKLVZJR-UHFFFAOYSA-N   \n21       C8H10ClNO  CVXGFPPAIUELDV-UHFFFAOYSA-N   \n22     C17H28ClNO2  QYRYFNHXARDNFZ-UHFFFAOYSA-N   \n23     C21H22ClNO4  RLQYRXCUPVKSAW-UHFFFAOYSA-M   \n24     C12H14ClNO3  BWQAGVANIBSWBW-UHFFFAOYSA-M   \n25    C33H35ClN4O6  OZCVSEGCSGTCIO-FVHLCMSXSA-N   \n26     C22H22ClNO4  PDYBUYVOPAJLKP-UHFFFAOYSA-M   \n27       C8H16ClNO  FMOKUKPRJSMPOI-UHFFFAOYSA-N   \n\n                                       smiles_fetched  formal_charges  \\\n0                       C[N+](C)(C)CC(CC(=O)O)O.[Cl-]               0   \n1                                      C(CCN)CN.Cl.Cl               0   \n2   C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)...               0   \n3                                C[N+](C)(C)CCO.[Cl-]               0   \n4                            C1CCNC(C1)C2=CN=CC=C2.Cl               0   \n5                                C1=C(NC=N1)CCN.Cl.Cl               0   \n6   CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O...               0   \n7                            CC(C(C1=CC=CC=C1)O)NC.Cl               0   \n8                            C[N+](C)(C)CC(=O)O.[Cl-]               0   \n9   CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=...               0   \n10  CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=...               0   \n11  COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)O...               0   \n12                   C1CCN2CC3CC(C2C1)CNC3CCC(=O)O.Cl               0   \n13                          C[NH2+]CC1=CC=CC=C1.[Cl-]               0   \n14  CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C...               0   \n15               CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3.Cl               0   \n16    CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.Cl               0   \n17  CC1CCC2(C(C1(C)CCC(=CC[N+]3=CN(C4=C(N=CN=C43)N...               0   \n18  CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC...               0   \n19                    C1=CC(=CC=C1C(C[NH3+])O)O.[Cl-]               0   \n20                          CC1(C2CC1C(=C)C(C2)N)C.Cl               0   \n21                    C1=CC=C(C=C1)C(=O)C[NH3+].[Cl-]               0   \n22             CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O.Cl               0   \n23  COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O...               0   \n24            C[N+]1=CC2=C(C3=C(C=C2CC1)OCO3)OC.[Cl-]               0   \n25  CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)...               0   \n26  CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC...               0   \n27                                 CC(=O)CC1CCCCN1.Cl               0   \n\n    pos_salt_found  neg_salt_found  \\\n0                0               1   \n1                0               2   \n2                0               1   \n3                0               1   \n4                0               1   \n5                0               2   \n6                0               1   \n7                0               1   \n8                0               1   \n9                0               1   \n10               0               1   \n11               0               1   \n12               0               1   \n13               0               1   \n14               0               1   \n15               0               1   \n16               0               1   \n17               0               1   \n18               0               2   \n19               0               1   \n20               0               1   \n21               0               1   \n22               0               1   \n23               0               1   \n24               0               1   \n25               0               1   \n26               0               1   \n27               0               1   \n\n                                      stripped_smiles stripped_formulas  \\\n0                             C[N+](C)(C)CC(O)CC(=O)O         C7H16NO3+   \n1                                              NCCCCN           C4H12N2   \n2          C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5         C19H21NO4   \n3                                      C[N+](C)(C)CCO          C5H14NO+   \n4                                  c1cncc(C2CCCCN2)c1          C10H14N2   \n5                                       NCCc1cnc[nH]1            C5H9N3   \n6    CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O        C14H25N3O9   \n7                                  CNC(C)C(O)c1ccccc1          C10H15NO   \n8                                  C[N+](C)(C)CC(=O)O         C5H12NO2+   \n9   COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)...        C37H40N2O6   \n10  COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...       C37H41N2O6+   \n11        COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2        C20H18NO4+   \n12                        O=C(O)CCC1NCC2CC1CN1CCCCC21        C14H24N2O2   \n13                                   C[NH2+]Cc1ccccc1           C8H12N+   \n14  CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=...    C66H75Cl2N9O24   \n15                       CN1CCCCC1c1ccc(-c2cccnc2)nc1          C16H19N3   \n16             CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1         C22H27NO2   \n17  CC(=CC[n+]1cn(C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C...         C26H40N5+   \n18  COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncn...        C22H29N7O5   \n19                             [NH3+]CC(O)c1ccc(O)cc1         C8H12NO2+   \n20                               C=C1C(N)CC2CC1C2(C)C           C10H17N   \n21                               [NH3+]CC(=O)c1ccccc1          C8H10NO+   \n22                   COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1         C17H27NO2   \n23       COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2        C21H22NO4+   \n24                     COc1c2c(cc3c1OCO3)CC[N+](C)=C2        C12H14NO3+   \n25  C=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(C=C4NC(=O)C(C)...        C33H34N4O6   \n26       COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC        C22H22NO4+   \n27                                    CC(=O)CC1CCCCN1           C8H15NO   \n\n    stripped_formal_charges  \\\n0                         1   \n1                         0   \n2                         0   \n3                         1   \n4                         0   \n5                         0   \n6                         0   \n7                         0   \n8                         1   \n9                         0   \n10                        1   \n11                        1   \n12                        0   \n13                        1   \n14                        0   \n15                        0   \n16                        0   \n17                        1   \n18                        0   \n19                        1   \n20                        0   \n21                        1   \n22                        0   \n23                        1   \n24                        1   \n25                        0   \n26                        1   \n27                        0   \n\n                                     uncharged_smiles uncharged_formulas  \\\n0                             C[N+](C)(C)CC(O)CC(=O)O          C7H16NO3+   \n1                                              NCCCCN            C4H12N2   \n2          C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5          C19H21NO4   \n3                                      C[N+](C)(C)CCO           C5H14NO+   \n4                                  c1cncc(C2CCCCN2)c1           C10H14N2   \n5                                       NCCc1cnc[nH]1             C5H9N3   \n6    CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O         C14H25N3O9   \n7                                  CNC(C)C(O)c1ccccc1           C10H15NO   \n8                                  C[N+](C)(C)CC(=O)O          C5H12NO2+   \n9   COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)...         C37H40N2O6   \n10  COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...        C37H41N2O6+   \n11        COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2         C20H18NO4+   \n12                        O=C(O)CCC1NCC2CC1CN1CCCCC21         C14H24N2O2   \n13                                        CNCc1ccccc1             C8H11N   \n14  CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=...     C66H75Cl2N9O24   \n15                       CN1CCCCC1c1ccc(-c2cccnc2)nc1           C16H19N3   \n16             CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1          C22H27NO2   \n17  CC(=CC[n+]1cn(C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C...          C26H40N5+   \n18  COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncn...         C22H29N7O5   \n19                                  NCC(O)c1ccc(O)cc1           C8H11NO2   \n20                               C=C1C(N)CC2CC1C2(C)C            C10H17N   \n21                                    NCC(=O)c1ccccc1             C8H9NO   \n22                   COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1          C17H27NO2   \n23       COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2         C21H22NO4+   \n24                     COc1c2c(cc3c1OCO3)CC[N+](C)=C2         C12H14NO3+   \n25  C=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(C=C4NC(=O)C(C)...         C33H34N4O6   \n26       COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC         C22H22NO4+   \n27                                    CC(=O)CC1CCCCN1            C8H15NO   \n\n    uncharged_formal_charges  \n0                          1  \n1                          0  \n2                          0  \n3                          1  \n4                          0  \n5                          0  \n6                          0  \n7                          0  \n8                          1  \n9                          0  \n10                         1  \n11                         1  \n12                         0  \n13                         0  \n14                         0  \n15                         0  \n16                         0  \n17                         1  \n18                         0  \n19                         0  \n20                         0  \n21                         0  \n22                         0  \n23                         1  \n24                         1  \n25                         0  \n26                         1  \n27                         0  ",
      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>Mix</th>\n      <th>Name</th>\n      <th>Formula_fetched</th>\n      <th>Formula</th>\n      <th>inchikey</th>\n      <th>smiles_fetched</th>\n      <th>formal_charges</th>\n      <th>pos_salt_found</th>\n      <th>neg_salt_found</th>\n      <th>stripped_smiles</th>\n      <th>stripped_formulas</th>\n      <th>stripped_formal_charges</th>\n      <th>uncharged_smiles</th>\n      <th>uncharged_formulas</th>\n      <th>uncharged_formal_charges</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>BEHC18_pos_R63_MX11_PFP_NP_PN_01</td>\n      <td>Carnitine (Dl) Hydrochloride</td>\n      <td>C7H16ClNO3</td>\n      <td>C7H16ClNO3</td>\n      <td>JXXCENBLGFBQJM-UHFFFAOYSA-N</td>\n      <td>C[N+](C)(C)CC(CC(=O)O)O.[Cl-]</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CC(O)CC(=O)O</td>\n      <td>C7H16NO3+</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CC(O)CC(=O)O</td>\n      <td>C7H16NO3+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>BEHC18_pos_R63_MX11_PFP_NP_PN_01</td>\n      <td>PUTRESCINE DIHYDROCHLORIDE</td>\n      <td>C4H14Cl2N2</td>\n      <td>C4H14Cl2N2</td>\n      <td>XXWCODXIQWIHQN-UHFFFAOYSA-N</td>\n      <td>C(CCN)CN.Cl.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>2</td>\n      <td>NCCCCN</td>\n      <td>C4H12N2</td>\n      <td>0</td>\n      <td>NCCCCN</td>\n      <td>C4H12N2</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>2</th>\n      <td>BEHC18_pos_R65_MX13_PFP_NP_PN_03</td>\n      <td>NALOXONE HYDROCHLORIDE</td>\n      <td>C19H22ClNO4</td>\n      <td>C19H22ClNO4</td>\n      <td>RGPDIGOSVORSAK-STHHAXOLSA-N</td>\n      <td>C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5</td>\n      <td>C19H21NO4</td>\n      <td>0</td>\n      <td>C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5</td>\n      <td>C19H21NO4</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>3</th>\n      <td>BEHC18_pos_R67_MX15_PFP_NP_PN_05</td>\n      <td>CHOLINE CHLORIDE</td>\n      <td>C5H14ClNO</td>\n      <td>C5H14ClNO</td>\n      <td>SGMZJAMFUVOLNK-UHFFFAOYSA-M</td>\n      <td>C[N+](C)(C)CCO.[Cl-]</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>C5H14NO+</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CCO</td>\n      <td>C5H14NO+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>4</th>\n      <td>BEHC18_pos_R68_MX16_PFP_NP_PN_06</td>\n      <td>Anabasine Hydrochloride</td>\n      <td>C10H15ClN2</td>\n      <td>C10H15ClN2</td>\n      <td>VTMZQNZVYCJLGG-UHFFFAOYSA-N</td>\n      <td>C1CCNC(C1)C2=CN=CC=C2.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>c1cncc(C2CCCCN2)c1</td>\n      <td>C10H14N2</td>\n      <td>0</td>\n      <td>c1cncc(C2CCCCN2)c1</td>\n      <td>C10H14N2</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>5</th>\n      <td>BEHC18_pos_R70_MX18_PFP_NP_PN_08</td>\n      <td>HISTAMINE DIHYDROCHLORIDE</td>\n      <td>C5H11Cl2N3</td>\n      <td>C5H11Cl2N3</td>\n      <td>PPZMYIBUHIPZOS-UHFFFAOYSA-N</td>\n      <td>C1=C(NC=N1)CCN.Cl.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>2</td>\n      <td>NCCc1cnc[nH]1</td>\n      <td>C5H9N3</td>\n      <td>0</td>\n      <td>NCCc1cnc[nH]1</td>\n      <td>C5H9N3</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>6</th>\n      <td>BEHC18_pos_R72_MX20_PFP_NP_PN_10</td>\n      <td>Kasugamycin Hydrochloride</td>\n      <td>C14H26ClN3O9</td>\n      <td>C14H26ClN3O9</td>\n      <td>ZDRBJJNXJOSCLR-YZKQBBCCSA-N</td>\n      <td>CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O</td>\n      <td>C14H25N3O9</td>\n      <td>0</td>\n      <td>CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O</td>\n      <td>C14H25N3O9</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>7</th>\n      <td>BEHC18_pos_R72_MX20_PFP_NP_PN_10</td>\n      <td>PSEUDOEPHEDRINE HYDROCHLORIDE</td>\n      <td>C10H16ClNO</td>\n      <td>C10H16ClNO</td>\n      <td>BALXUFOVQVENIU-KXNXZCPBSA-N</td>\n      <td>CC(C(C1=CC=CC=C1)O)NC.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>CNC(C)C(O)c1ccccc1</td>\n      <td>C10H15NO</td>\n      <td>0</td>\n      <td>CNC(C)C(O)c1ccccc1</td>\n      <td>C10H15NO</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>8</th>\n      <td>BEHC18_pos_R74_MX22_PFP_NP_PN_12</td>\n      <td>BETAINE HYDROCHLORIDE</td>\n      <td>C5H12ClNO2</td>\n      <td>C5H12ClNO2</td>\n      <td>HOPSCVCBEOCPJZ-UHFFFAOYSA-N</td>\n      <td>C[N+](C)(C)CC(=O)O.[Cl-]</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CC(=O)O</td>\n      <td>C5H12NO2+</td>\n      <td>1</td>\n      <td>C[N+](C)(C)CC(=O)O</td>\n      <td>C5H12NO2+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>9</th>\n      <td>BEHC18_pos_R75_MX23_PFP_NP_PN_13</td>\n      <td>Berbamine Hydrochloride</td>\n      <td>C37H41ClN2O6</td>\n      <td>C37H41ClN2O6</td>\n      <td>SFPGJACKHKXGBH-UHFFFAOYSA-N</td>\n      <td>CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)...</td>\n      <td>C37H40N2O6</td>\n      <td>0</td>\n      <td>COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)...</td>\n      <td>C37H40N2O6</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>10</th>\n      <td>BEHC18_pos_R76_MX24_PFP_NP_PN_14</td>\n      <td>Tubocurarine Chloride</td>\n      <td>C37H41ClN2O6</td>\n      <td>C37H41ClN2O6</td>\n      <td>MHXYWXHKLBMJKL-QBYKQQEBSA-N</td>\n      <td>CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...</td>\n      <td>C37H41N2O6+</td>\n      <td>1</td>\n      <td>COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4...</td>\n      <td>C37H41N2O6+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>11</th>\n      <td>BEHC18_pos_R77_MX25_PFP_NP_PN_15</td>\n      <td>Berberine Chloride</td>\n      <td>C20H18ClNO4</td>\n      <td>C20H18ClNO4</td>\n      <td>VKJGBAJNNALVAV-UHFFFAOYSA-M</td>\n      <td>COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)O...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2</td>\n      <td>C20H18NO4+</td>\n      <td>1</td>\n      <td>COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2</td>\n      <td>C20H18NO4+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>12</th>\n      <td>BEHC18_pos_R77_MX25_PFP_NP_PN_15</td>\n      <td>Lupanyl Acid Hydrochloride</td>\n      <td>C14H25ClN2O2</td>\n      <td>C14H25ClN2O2</td>\n      <td>WHCVEOAUHDJGLW-UHFFFAOYSA-N</td>\n      <td>C1CCN2CC3CC(C2C1)CNC3CCC(=O)O.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>O=C(O)CCC1NCC2CC1CN1CCCCC21</td>\n      <td>C14H24N2O2</td>\n      <td>0</td>\n      <td>O=C(O)CCC1NCC2CC1CN1CCCCC21</td>\n      <td>C14H24N2O2</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>13</th>\n      <td>BEHC18_pos_R77_MX25_PFP_NP_PN_15</td>\n      <td>N-Methylbenzylamine Hydrochloride</td>\n      <td>C8H12ClN</td>\n      <td>C8H12ClN</td>\n      <td>CBSOFSBFHDQRLV-UHFFFAOYSA-N</td>\n      <td>C[NH2+]CC1=CC=CC=C1.[Cl-]</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>C[NH2+]Cc1ccccc1</td>\n      <td>C8H12N+</td>\n      <td>1</td>\n      <td>CNCc1ccccc1</td>\n      <td>C8H11N</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>14</th>\n      <td>BEHC18_pos_R77_MX25_PFP_NP_PN_15</td>\n      <td>VANCOMYCIN HYDROCHLORIDE</td>\n      <td>C66H76Cl3N9O24</td>\n      <td>C66H76Cl3N9O24</td>\n      <td>LCTORFDMHNKUSG-XTTLPDOESA-N</td>\n      <td>CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=...</td>\n      <td>C66H75Cl2N9O24</td>\n      <td>0</td>\n      <td>CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=...</td>\n      <td>C66H75Cl2N9O24</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>15</th>\n      <td>BEHC18_pos_R79_MX27_PFP_NP_PN_17</td>\n      <td>Anabasamine Hydrochloride</td>\n      <td>C16H20ClN3</td>\n      <td>C16H20ClN3</td>\n      <td>PFWHFUPRJSEODI-UHFFFAOYSA-N</td>\n      <td>CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>CN1CCCCC1c1ccc(-c2cccnc2)nc1</td>\n      <td>C16H19N3</td>\n      <td>0</td>\n      <td>CN1CCCCC1c1ccc(-c2cccnc2)nc1</td>\n      <td>C16H19N3</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>16</th>\n      <td>BEHC18_pos_R81_MX29_PFP_NP_PN_19</td>\n      <td>Lobeline Hydrochloride</td>\n      <td>C22H28ClNO2</td>\n      <td>C22H28ClNO2</td>\n      <td>MKMYPTLXLWOUSO-UHFFFAOYSA-N</td>\n      <td>CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1</td>\n      <td>C22H27NO2</td>\n      <td>0</td>\n      <td>CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1</td>\n      <td>C22H27NO2</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>17</th>\n      <td>BEHC18_pos_R84_MX32_PFP_NP_PN_22</td>\n      <td>Agelasine (Stereochemistry Of Diterpene Unknown)</td>\n      <td>C26H40ClN5</td>\n      <td>C26H40ClN5</td>\n      <td>YBNXVKHEQXZPFB-XMMWENQYSA-M</td>\n      <td>CC1CCC2(C(C1(C)CCC(=CC[N+]3=CN(C4=C(N=CN=C43)N...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>CC(=CC[n+]1cn(C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C...</td>\n      <td>C26H40N5+</td>\n      <td>1</td>\n      <td>CC(=CC[n+]1cn(C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C...</td>\n      <td>C26H40N5+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>18</th>\n      <td>BEHC18_pos_R84_MX32_PFP_NP_PN_22</td>\n      <td>PUROMYCIN HYDROCHLORIDE</td>\n      <td>C22H31Cl2N7O5</td>\n      <td>C22H31Cl2N7O5</td>\n      <td>MKSVFGKWZLUTTO-FZFAUISWSA-N</td>\n      <td>CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>2</td>\n      <td>COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncn...</td>\n      <td>C22H29N7O5</td>\n      <td>0</td>\n      <td>COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncn...</td>\n      <td>C22H29N7O5</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>19</th>\n      <td>BEHC18_pos_R85_MX33_PFP_NP_PN_23</td>\n      <td>OCTOPAMINE HYDROCHLORIDE</td>\n      <td>C8H12ClNO2</td>\n      <td>C8H12ClNO2</td>\n      <td>PUMZXCBVHLCWQG-UHFFFAOYSA-N</td>\n      <td>C1=CC(=CC=C1C(C[NH3+])O)O.[Cl-]</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>[NH3+]CC(O)c1ccc(O)cc1</td>\n      <td>C8H12NO2+</td>\n      <td>1</td>\n      <td>NCC(O)c1ccc(O)cc1</td>\n      <td>C8H11NO2</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>20</th>\n      <td>BEHC18_pos_R86_MX34_PFP_NP_PN_24</td>\n      <td>3-Amino-Beta-Pinene</td>\n      <td>C10H18ClN</td>\n      <td>C10H18ClN</td>\n      <td>SQSDBXYJKLVZJR-UHFFFAOYSA-N</td>\n      <td>CC1(C2CC1C(=C)C(C2)N)C.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>C=C1C(N)CC2CC1C2(C)C</td>\n      <td>C10H17N</td>\n      <td>0</td>\n      <td>C=C1C(N)CC2CC1C2(C)C</td>\n      <td>C10H17N</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>21</th>\n      <td>BEHC18_pos_R88_MX36_PFP_NP_PN_26</td>\n      <td>Phenacylamine Hydrochloride</td>\n      <td>C8H10ClNO</td>\n      <td>C8H10ClNO</td>\n      <td>CVXGFPPAIUELDV-UHFFFAOYSA-N</td>\n      <td>C1=CC=C(C=C1)C(=O)C[NH3+].[Cl-]</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>[NH3+]CC(=O)c1ccccc1</td>\n      <td>C8H10NO+</td>\n      <td>1</td>\n      <td>NCC(=O)c1ccccc1</td>\n      <td>C8H9NO</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>22</th>\n      <td>BEHC18_pos_R88_MX36_PFP_NP_PN_26</td>\n      <td>Venlafaxine HCl</td>\n      <td>C17H28ClNO2</td>\n      <td>C17H28ClNO2</td>\n      <td>QYRYFNHXARDNFZ-UHFFFAOYSA-N</td>\n      <td>CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1</td>\n      <td>C17H27NO2</td>\n      <td>0</td>\n      <td>COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1</td>\n      <td>C17H27NO2</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>23</th>\n      <td>BEHC18_pos_R89_MX37_PFP_NP_PN_27</td>\n      <td>Palmatine Chloride</td>\n      <td>C21H22ClNO4</td>\n      <td>C21H22ClNO4</td>\n      <td>RLQYRXCUPVKSAW-UHFFFAOYSA-M</td>\n      <td>COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2</td>\n      <td>C21H22NO4+</td>\n      <td>1</td>\n      <td>COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2</td>\n      <td>C21H22NO4+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>24</th>\n      <td>BEHC18_pos_R93_MX41_PFP_NP_PN_31</td>\n      <td>Cotarnine Chloride</td>\n      <td>C12H14ClNO3</td>\n      <td>C12H14ClNO3</td>\n      <td>BWQAGVANIBSWBW-UHFFFAOYSA-M</td>\n      <td>C[N+]1=CC2=C(C3=C(C=C2CC1)OCO3)OC.[Cl-]</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>COc1c2c(cc3c1OCO3)CC[N+](C)=C2</td>\n      <td>C12H14NO3+</td>\n      <td>1</td>\n      <td>COc1c2c(cc3c1OCO3)CC[N+](C)=C2</td>\n      <td>C12H14NO3+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>25</th>\n      <td>BEHC18_pos_R95_MX43_PFP_NP_PN_33</td>\n      <td>Biliverdin Hydrochloride</td>\n      <td>C33H35ClN4O6</td>\n      <td>C33H35ClN4O6</td>\n      <td>OZCVSEGCSGTCIO-FVHLCMSXSA-N</td>\n      <td>CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>C=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(C=C4NC(=O)C(C)...</td>\n      <td>C33H34N4O6</td>\n      <td>0</td>\n      <td>C=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(C=C4NC(=O)C(C)...</td>\n      <td>C33H34N4O6</td>\n      <td>0</td>\n    </tr>\n    <tr>\n      <th>26</th>\n      <td>BEHC18_pos_R95_MX43_PFP_NP_PN_33</td>\n      <td>Coralyne Chloride</td>\n      <td>C22H22ClNO4</td>\n      <td>C22H22ClNO4</td>\n      <td>PDYBUYVOPAJLKP-UHFFFAOYSA-M</td>\n      <td>CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC...</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC</td>\n      <td>C22H22NO4+</td>\n      <td>1</td>\n      <td>COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC</td>\n      <td>C22H22NO4+</td>\n      <td>1</td>\n    </tr>\n    <tr>\n      <th>27</th>\n      <td>BEHC18_pos_R96_MX44_PFP_NP_PN_34</td>\n      <td>Pelletierine Hydrochloride</td>\n      <td>C8H16ClNO</td>\n      <td>C8H16ClNO</td>\n      <td>FMOKUKPRJSMPOI-UHFFFAOYSA-N</td>\n      <td>CC(=O)CC1CCCCN1.Cl</td>\n      <td>0</td>\n      <td>0</td>\n      <td>1</td>\n      <td>CC(=O)CC1CCCCN1</td>\n      <td>C8H15NO</td>\n      <td>0</td>\n      <td>CC(=O)CC1CCCCN1</td>\n      <td>C8H15NO</td>\n      <td>0</td>\n    </tr>\n  </tbody>\n</table>\n</div>"
     },
     "execution_count": 516,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "neg_salt"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 539,
   "outputs": [
    {
     "data": {
      "text/plain": "<rdkit.Chem.rdchem.Mol at 0x167b40e20>",
      "image/png": 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\n"
     },
     "execution_count": 539,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol = Chem.MolFromSmiles(neg_salt.iloc[14]['smiles_fetched'])\n",
    "# Chem.MolToInchiKey(mol)\n",
    "mol"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 547,
   "outputs": [
    {
     "data": {
      "text/plain": "'CC1C(O)C(C)(N)CC(OC2C(O)C(O)C(CO)OC2Oc2c3cc4cc2Oc2c(Cl)cc(cc2)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(=O)N)C(=O)NC4C(=O)NC2c4cc(c(O)cc4)-c4c(cc(O)cc4O)C(C(=O)O)NC(=O)C(C(O)c4cc(Cl)c(cc4)O3)NC2=O)O1.Cl'"
     },
     "execution_count": 547,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Chem.MolToSmiles(mol,doRandom=False,canonical=False)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 548,
   "outputs": [
    {
     "data": {
      "text/plain": "'CC1C(O)C(C)(N)CC(OC2C(O)C(O)C(CO)OC2Oc2c3cc4cc2Oc2c(Cl)cc(cc2)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(=O)N)C(=O)NC4C(=O)NC2c4cc(c(O)cc4)-c4c(cc(O)cc4O)C(C(=O)O)NC(=O)C(C(O)c4cc(Cl)c(cc4)O3)NC2=O)O1.Cl'"
     },
     "execution_count": 548,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Chem.MolToSmiles(mol,doRandom=False,canonical=False)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 543,
   "outputs": [
    {
     "data": {
      "text/plain": "'C1(CC(N)=O)NC(=O)C(NC(C(NC)CC(C)C)=O)C(c2ccc(c(c2)Cl)Oc2c(c3cc(c2)C(C(=O)NC2c4cc(-c5c(cc(O)cc5O)C(C(O)=O)NC(C(NC2=O)C(c2ccc(O3)c(c2)Cl)O)=O)c(cc4)O)NC1=O)OC1OC(C(C(O)C1OC1CC(C)(N)C(C(C)O1)O)O)CO)O.Cl'"
     },
     "execution_count": 543,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Chem.MolToSmiles(mol,doRandom=True,canonical=False)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 545,
   "outputs": [
    {
     "data": {
      "text/plain": "['C(C(CC(C)C)NC)(=O)NC1C(NC(CC(=O)N)C(NC2C(=O)NC3C(NC(C(NC(c4cc(O)cc(O)c4-c4c(ccc3c4)O)C(O)=O)=O)C(O)c3cc(c(Oc4c(OC5C(OC6OC(C(O)C(N)(C6)C)C)C(C(C(CO)O5)O)O)c(Oc5c(cc(cc5)C1O)Cl)cc2c4)cc3)Cl)=O)=O)=O.Cl']"
     },
     "execution_count": 545,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Chem.MolToRandomSmilesVect(mol,1)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 541,
   "outputs": [
    {
     "data": {
      "text/plain": "<rdkit.Chem.rdchem.Mol at 0x167b40e20>",
      "image/png": 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\n"
     },
     "execution_count": 541,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "from rdkit.Chem import rdCoordGen\n",
    "rdCoordGen.AddCoords(mol)\n",
    "mol"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 518,
   "outputs": [
    {
     "data": {
      "text/plain": "'HOKIDJSKDBPKTQ-UHFFFAOYSA-N'"
     },
     "execution_count": 518,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Chem.MolToInchiKey(mol)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 501,
   "outputs": [
    {
     "data": {
      "text/plain": "<rdkit.Chem.rdchem.Mol at 0x179c579a0>",
      "image/png": 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lZeXjPoX6+nonJ6f4+Pgn+hTag8/nu7u7JyYmzpw5s6SkRCwWOzs73717t4vK7l4UCpSWtnNs8PyTmnxZdoXB3tiJrQ7opdkotkpr9Y/DwMKOF9nUhJqajr+dRRSjnSwqCuPHQyxGaioGDUJICFJSOG+/vZj9a5S9evUKCgo6f/788OHDk5OTJ0+e7O7uXltby3IZnah5mu3TfQqjR4/u8D6HDRt25syZkJAQfX39iIgIa2vrl2Kqw/377V+nztygcpPDJQA7oqeVPGSx+ZjHQ3k5e4djgGK000RFYcIEODri+nUMGIDAQGRmwtVVxcsq9oz+0dra2sd9Cvfv358zZ05sbGx7+hTao3mqQ0ZGxqJFi5qnOsyYMSM7O5v5nruv2lq0uDSfUtp39Z+v10nbXDZsy9SLFoYVDxo1tkdPZ6U+AIBSibo69g7HAMVoJ4iJwcyZcHREXByMjeHvj6wsuLt3l6UU1bp/tK6u7nGfQmVlpYODw9mzZyMjIzt9gSsTE5Njx46FhYUZGxtfuHDBzs4uICCgx/ePZpYbvn10id2Btf+TMPpAXJvzQzX48uZ7Tf+6Mba8Tpu9+tTktIBilJErVzBnDqZOxfnzMDSEvz/y8+HpCS0tVVf2lCf6R62trbt5/2jLPoXi4mJ7e/vjx4/HxMTMnDmz6w4qFoszMzNdXV3r6+u9vLx6bP+otnZBlb5buJP1t+t/TbbmcxWuY6+/ZZPyjHfMF2UvGpEhlXNrmxitdStTcMMzLfzOT991ccrJbNGzWqS4XGizGNkMUIx2UGwsnJ0xeTLOnIGeHjw9cesWPD279b97y/7RoqKiJUuWuLi4lLb7VgNrpFLpoUOHLC0t3dzc7t2719ySdPnyZWdnZxaO3qdPn5CQkBMnTgwaNCghIWHixIleXl6Nnb4CvOrcvg13P4Phe9xCr4/lcLDCLin9g/0hzhGv6D3nfk7QvP/VFTLqo71Xozcu1HXxb8tOZot+SrJd8PPb835a3iRv47aBTEbzRnus5GS4uMDeHhER0NWFpycKC+HvrzZPP2zZPyqRSCwtLUNDQ1Vd1CMKhUIikYwYMWLVqlV5eXnW1tZhYWE3b94Ui8UsVzJ//vzk5OSWUx16QP9oaSm8vGBhgb37OFI5V2yVlrZh/6FFvw/tU9Wetw/s9eCzaReZFLA9enpFnVbqhm9j/3EwdcO3X8w+G3lr6M9JNq2PFgqh36HZ+6xTm2WbZ89GXh7c3eHu3voAT09IJHBwwOHDz9pPcDC++QYA1q2Dh0fr+zlyBHPn4sBTC9GmpcHXF0eOQKmEjg5Wr8Znn6Fv3w58mm4hPz9/7dq1p0+fBjBv3rzvvvvOzMxMVcUoFIqjR49u3bo1KysLwMiRIz09PZcvX85V9eMlLl26tGbNmoyMDC6Xu2bNmt27d+vq6qq2pA4oL8fXX2PvXtTXg8vFkiX4fEmCxa3/fXrqaHS+WWmtzkjjMqu+ZU/vp0nO+zNjOIBR/YtFhpU3i/unlRn30ax/TZTT6nHvPtCLLhgMwMUqlc9VyBTcezV6g3o96pevkwp0v9i8bnz8/gVPtX5yuRgzBgsWMPnUrFGbb6OFhcjLQ1Xb/2uWliIvD0VFz9lPVRVyc5Gbi61bkZXVyoCyMuTmoqTkby/m5cHNDba2kEggFMLVFTk5CApS4wzFf/tHw8LCjIyMmvtHVXJTRalUhoeHjxkzxsXFJSsra8iQISEhIUlJSStXrlR5huK//aM+Pj58Pj80NNTW1jYyMlLVRb2Aigr4+mLYMAQEoKEBTk64cQNhYbBwbn2a7fTBBWKrtFYzFICQJ2+eECoyrAQwqn/x2zbJbWUoAFP9mrdtkt+2SW5+iAifq3icoQB4HAWXi0Z5a3NZuFyoz2NyVP9rqiqNjfjww+cPKyiAmxssLBAaCh4Prq7IzUVICPr37/oSWaHa/tGoqKhx48a9/vrriYmJZmZmISEhWVlZrq6u3WopADXtH62pQUAAhg2Dnx8ePMCcOYiPR3g47OwAANraGDVKtdPxzuUPkSs4Uwc9tYwOl4shQ2BsrIqiOuIljVELC+jp4a+/8Ntvzxq2Zw9EIoSGgsvF2rXIyUFICF55ha0q2dLcPxoeHj5gwIDm/lEvL6+uXpQzKipq/Pjxjo6ON27cGDhwYGBgYPMtcn53fXx5c/9oYGCgtra2RCKxtrY+cuSIqotq3cOHCAiAmRm8vFBdjTlzcO0aIiMxZszfx82apcIYbZDxt5yZPdK47G2b5Ce38XiYP18VRXXQSxqjxsb49FMA+PjjZy1sOGEC5PJHLUkHDmDgQNYKVAEnJyd2+kebF1d1dHSMj4/v27evv79/VlaWu7u7hgZbT/7pqOb+0aSkpJkzZxYXF3fD/tHaWgQFwdwcXl6oqoKDA86fR2QkWl8NXFMTixdDFQ/rlis47/2xMKvC8PuFxwW8vz9/SSDA3Lno3Zv9qjrsJY1RAJs2wcwMRUXYurXNMVOmoKAAYWEwN2exMtXp6v7R5sVVp06dGh0dbWRk5O/vn5+f7+npqdlNGhXap3v2jzY1ITQUIhE++gglJY+m4sXEYPqz245EIkyaxHKS1jQKxRKXPzIs/3zz10kD7vxtm0AAS0uMY3ehaMZe3hjV0sLOnQDw7be4erXNYQMGsFZRd9EV/aNXr151dnaeMmXK2bNnDQ0NfXx8bt265enpqdUNGxXa4XH/6BtvvKHy/tHGRmVwMAYPhpsbiopgb4/ISFy6hFmz2vf+WbNgbQ22FgDLLDe0/35N7B3Tc+/+e/bQvL9tEwgwaBDeeIOdSjpRN70O1ZYLF/D5561vSkp64b299RYOHEBMDDZswLVr6E53NVSsuX/0zTffXL169Y0bNxwdHZcvXx4YGGhgYPCiu0pKSvr8888lEgkAPT299evXb968uZe6TLJ9JhMTk99//10ikWzYsKG5f9THx4fNpbKblwP39w+8fz+uqIhnYwNvbyxdihdeydbZGZqaiI9vz9J5TEhSR77/50INvjxw3qmHTcKo3KEAtAXSyQNvQyiESITFi9ENpme8KLWZNyoSIafNaRX/b/ZsREU9a8COHdi2DQ4OiIkBgJQUjBkDqRSBgY9mpL7/Pn74AYsWoXu3SrJEJpPt3r3bx8ensbHRxMQkODh48eLF7Xxvamqqn5/fkSNHlEqlrq7uhg0bPD09+/Tp06UFq0RVVZWXl1dzF8OkSZMOHjxoZWXVpUeUyWQ//fTT9u3b8/LyACxbJnnzzaULF754gLZ08yZOnoRMBoWC2Y7aZL53463KJ38BzA0qsz/9DtOmwcGhi47b1dQsRmfNQlsPLjp6FDduvHCMAvj0U+zZA319ZGTAxIRitBU5OTlr1qyJjo4GIBaLg4OD+z5zxmx6evquXbt++eUXuVyura29Zs2aLVu29OvXj616VePkyZPr1q0rLCwUCASffPKJn59fV9w0a+5T8Pb2zszMBDBixAgvL69OWw68vBwSCaqquuhraXWDxpNN9AIBV1uz18qFMDXtiiOyQ81O6qdOxZYtrW/Kzu7gY1l9ffHbb7h7F1u24IcfmFTXY5mbm587d+5f//qXh4eHRCKJiory9/d3dXV9emR+fv6uXbu+//57uVwuFApXr17t6+vb/FC5Hq+5f9Tb2zs4ODggIODEiRMHDx6cOLH1pY47QKlURkREbNu27ebNmwAGDx68efPm1atXd+Y1BCMjrF2L69cRFQWFotPDtJdmi6UJ+HxwuZgyHpMnq/sFNfW7DNHp9PSwezcAHDqkRk9/Ydvj54/OnTu3qqrKzc3ttddea/n80Wc/mPMl0XXPH33cp3Dz5s1BgwaFhIRkZ2d3SZ8Ch4Nx4/DJJ5g2DZqa6IpZaEIhhEJMmoSPPsLUqeqeoaAYbbZsGV57DQoF3N3VZYVD1Rg8ePDp06ef6B8tKChwd3e3sLAIDQ3lcDgrVqxIT08PCQkxVefTNCY6t380KipqwoQJzX0KAwYMCAwMbG706to+BaEQU6bAwwPOzhg0CDxeJ9zKFwrB56N/f8ybBw8PzJ7dHReU7BA1O6nvOt98g7NnceUKChk8POYlIRaLp02b9sEHHxw5csTLy2vr1q0ymYzH461atcrb2/sZT+V8eTT3jy5evHj16tXx8fFz584Vi8UHDhwwNDRs/05iYmK8vb3Pnz8PwNjY+NNPP3V3d2d1ji2PBysrWFmhvh5ZWUhLQ2EhZDLweJBKoVA85+1cLgSCRzesTE1hZfWofbDH6ckxKpfj4kXk56N/f4wfj2f/Ag8fDg8PfPEFulNPSvfVr18/iUTSfKnO1NRUS0vrhR7M+ZJ4/PzRLVu2SCSSixcv7tu3rz3PH718+fK2bduap+saGRl5eHh8+OGH2ipcy1ZLC3Z2j7rxq6tRXIzSUpSWoqoKtbWQSvG4dVgggEAAbW307o1+/WBsjP798eLz5NSMUk2YmysBpY9PmwPefVcJKGfPfvRjQoLS3FzJ4SiNjJRcrlJHR3n0qFKpVG7frgSUDg6t7KGuTjlkiBJQAspFizr/I/RUMplM1SV0dzk5OY8X7Xdycrpz505bI69everk5NQ80sDAwMfHp7q6ms1SSQf0zGujTU1YuBCGhsjLQ1kZbt/G4MF49108ePCsd2lpYf9+tkrsQbrVakzdU3v6R5OTk11cXOzt7SMiInR1dT09PW/duuXr66uvJksXv8zUZt7ovn2oqMCMGZgxo/UBf/6JhAQMHYqVKwEgIQF9+/7/XLTvv8eaNYiOhkyGv/6CmRnWrWt9P3v2oLQUVlZYsaLzPwV5yd27d2/Dhg1//PEHgGnTph08eFAkErXsU9DR0fnggw82bdrUgYYxoipqE6MMHTuGJUvwxx9YuFDVpZCX3k8//fTxxx+Xl5dra2tbW1vHx8crFAptbe3169dv2rTJWH3W2STNeuZJ/dOuXAGHg9GjVV0HIcDy5cubJy3V1dVVVVXx+XxXV9fs7OyvvvqKMlQdvRTfRgsLYWuLRYuoSYl0L/Hx8UKh0MDAYMBLuJJYD9LzY7S6Go6OKC5GXBx6elc3IUQFevhJfVER5s7F7ds4c4YylBDSJXpyjMbEYOxY1Nbi4kWIRKquhhDSQ/XYGA0KwqxZGDgQP/8MLvfRQ5UrK1VdFiGkx+mZ10ZTUmBj08rrmzYhIID1agghPVrPjNH6eqSltfJ6//5qvTgsIaQ76pkxSgghrOmx10YJIYQdFKOEEMIIxSghhDBCMUoIIYxQjBJCCCP/B6b6tUm6tvXcAAAAn3pUWHRyZGtpdFBLTCByZGtpdCAyMDIyLjAzLjQAAHice79v7T0GIOBlgABGIOYAYlYgbmBkY0gA0kxM6DQ7mGbE4AsyOIBoKMUNNI2RiYGJmYGBhYGFlUGEQTwLagUYcGi919rf+GDdPhAHyLYHsu1A7LoV3+wNEj+Bxa+cDnBYvD8MJr4fKG4HFT8AFN8HM8xnxh57GFvNRw7kAAYxAGKMJZmtzHMRAAAA63pUWHRNT0wgcmRraXQgMjAyMi4wMy40AAB4nH2RTYrDMAyF9z7Fu0CCJP/FyyYppQx1YCbTOxS67P2pPEPiBtrINkjy52fzbFDie/y6PbCGjMYAtDNTSrhaIjIXlAT98XTOGOZDv3SG6TfPP+jg9YSOLXmYp8vSYQxoqA0hRpaSWcfeR1BLf1HPipIruMNZ5bhNEoljEXTR2tS9AR0ybCtBnGPdFkqR/RvOlyeuijuCQQWbVbHZkYwY7rXNnyW7DSifwWMeN77+O91PeaxOlyHVTi1gq2usy1VvCuyrBVogvF72Kl3q5fs1N094OHHd3ugTowAAAHp6VFh0U01JTEVTIHJka2l0IDIwMjIuMDMuNAAAeJxNjUEOgCAMBL/iUZO2aUuhEo7ceQlP4PFiIuqeNpvZTO1UO7U607axMwiZB4PCoE8LpEnNgEk5u0QoQlmdFZBvJORz4pSSu+ikgkmMDgXfDX/j+n5XXAJ8Dce4AJ2vH1aWHyWIAAAAAElFTkSuQmCC\n"
     },
     "execution_count": 501,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "from rdkit.Chem.Draw import rdMolDraw2D\n",
    "# mol = Chem.MolFromSmiles(neg_salt.iloc[1]['smiles_fetched'])\n",
    "patt = Chem.MolFromSmarts('[NH2]')\n",
    "hit_ats = list(mol.GetSubstructMatch(patt))\n",
    "hit_bonds = []\n",
    "for bond in patt.GetBonds():\n",
    "    aid1 = hit_ats[bond.GetBeginAtomIdx()]\n",
    "    aid2 = hit_ats[bond.GetEndAtomIdx()]\n",
    "    hit_bonds.append(mol.GetBondBetweenAtoms(aid1,aid2).GetIdx())\n",
    "# d = rdMolDraw2D.MolDraw2DSVG(500, 500) # or MolDraw2DCairo to get PNGs\n",
    "# rdMolDraw2D.PrepareAndDrawMolecule(d, mol, highlightAtoms=hit_ats,highlightBonds=hit_bonds)\n",
    "mol"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 500,
   "outputs": [
    {
     "data": {
      "text/plain": "<rdkit.Chem.rdchem.Mol at 0x179c579a0>",
      "image/png": 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\n"
     },
     "execution_count": 500,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 406,
   "outputs": [],
   "source": [
    "std_list_fc0 = pd.DataFrame()\n",
    "for index, row in std_list_neutrilized.iterrows():\n",
    "    # looking for either naturally charged/neutralized molecule\n",
    "    if row['uncharged_formal_charges']==0 or row['uncharged_formal_charges']==row['formal_charges']:\n",
    "        std_list_fc0 = std_list_fc0.append(row)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 407,
   "outputs": [],
   "source": [
    "uncharged_inchikey = []\n",
    "for index, row in std_list_fc0.iterrows():\n",
    "    if row['Formula_fetched']==row['uncharged_formulas']:\n",
    "        uncharged_inchikey.append(row['inchikey'])\n",
    "    else:\n",
    "        uncharged_inchikey.append(Chem.MolToInchiKey(Chem.MolFromSmiles(row['uncharged_smiles'])))\n",
    "    # break"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 408,
   "outputs": [],
   "source": [
    "std_list_fc0['uncharged_inchikey']=uncharged_inchikey"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 409,
   "outputs": [
    {
     "data": {
      "text/plain": "Index(['Mix', 'Name', 'Formula_fetched', 'Formula', 'inchikey',\n       'smiles_fetched', 'formal_charges', 'pos_salt_found', 'neg_salt_found',\n       'stripped_smiles', 'stripped_formulas', 'stripped_formal_charges',\n       'uncharged_smiles', 'uncharged_formulas', 'uncharged_formal_charges',\n       'uncharged_inchikey'],\n      dtype='object')"
     },
     "execution_count": 409,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "std_list_fc0.columns"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 453,
   "outputs": [],
   "source": [
    "std_list_cleaned = {'mix':std_list_fc0['Mix'],\n",
    "                    'name':std_list_fc0['Name'],\n",
    "                    'formula':std_list_fc0['uncharged_formulas'],\n",
    "                    'smiles':std_list_fc0['uncharged_smiles'],\n",
    "                    'inchikey':std_list_fc0['uncharged_inchikey'],\n",
    "                    'formal_charges':std_list_fc0['uncharged_formal_charges'],\n",
    "                    'pos_salt_group':std_list_fc0['pos_salt_found'],\n",
    "                    'neg_salt_group':std_list_fc0['pos_salt_found'],\n",
    "\n",
    "\n",
    "\n",
    "\n",
    "\n",
    "\n",
    "                    }\n",
    "std_list_cleaned= pd.DataFrame.from_dict(std_list_cleaned)\n",
    "std_list_cleaned.reset_index(inplace=True, drop=True)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 454,
   "outputs": [],
   "source": [
    "from toolsets.adduct_calculator import complete_adducts\n",
    "std_list_adducts=complete_adducts(std_list_cleaned, adducts=['[M+H]+','[M+Na]+','[M+NH4]+','[M-H2O+H]+', '[M-H]-','[M+Cl]-','[M-H2O+H]+','[M+C2H4O2-H]-'])"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "outputs": [],
   "source": [],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 455,
   "outputs": [
    {
     "data": {
      "text/plain": "                                   mix  \\\n0            BEHC18_pos_R22_BA_UK_mix1   \n1            BEHC18_pos_R22_BA_UK_mix1   \n2            BEHC18_pos_R22_BA_UK_mix1   \n3            BEHC18_pos_R22_BA_UK_mix1   \n4            BEHC18_pos_R22_BA_UK_mix1   \n...                                ...   \n2021  BEHC18_pos_R97_MX45_PFP_NP_PN_35   \n2022  BEHC18_pos_R97_MX45_PFP_NP_PN_35   \n2023  BEHC18_pos_R97_MX45_PFP_NP_PN_35   \n2024  BEHC18_pos_R97_MX45_PFP_NP_PN_35   \n2025  BEHC18_pos_R97_MX45_PFP_NP_PN_35   \n\n                                                   name     formula  \\\n0                                     ?-Muricholic acid    C24H40O5   \n1                                 Glycolithocholic acid   C26H43NO4   \n2                            Glycochenodeoxycholic acid   C26H43NO5   \n3                             Tauroursodeoxycholic acid  C26H45NO6S   \n4                               Tauro-?-Muricholic acid  C26H45NO7S   \n...                                                 ...         ...   \n2021                                      Isolaserpitin    C19H20O6   \n2022                                         Kojic acid      C6H6O4   \n2023                                         MENTHOL(-)     C10H20O   \n2024  methyl 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-di...    C17H16O6   \n2025                                     Strophanthidin    C23H32O6   \n\n                                                 smiles  \\\n0     CC(CCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CC...   \n1     CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3C...   \n2     CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)...   \n3     CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CC...   \n4     CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)C(O)C4CC(O...   \n...                                                 ...   \n2021     CC=C(C)C(=O)OC1C(O)c2c(ccc3ccc(=O)oc23)OC1(C)C   \n2022                                    O=c1cc(CO)occ1O   \n2023                                CC1CCC(C(C)C)C(O)C1   \n2024        COC(=O)CC1CC2=C(C(=O)c3c(O)cccc3C2=O)C(C)O1   \n2025  CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(...   \n\n                         inchikey  formal_charges  pos_salt_group  \\\n0     DKPMWHFRUGMUKF-JDDNAIEOSA-N               0               0   \n1     XBSQTYHEGZTYJE-OETIFKLTSA-N               0               0   \n2     GHCZAUBVMUEKKP-GYPHWSFCSA-N               0               0   \n3     BHTRKEVKTKCXOH-LBSADWJPSA-N               0               0   \n4     XSOLDPYUICCHJX-SYCKBGHMSA-N               0               0   \n...                           ...             ...             ...   \n2021  KJWFOHVSTFGWGZ-YHYXMXQVSA-N               0               0   \n2022  BEJNERDRQOWKJM-UHFFFAOYSA-N               0               0   \n2023  NOOLISFMXDJSKH-UHFFFAOYSA-N               0               0   \n2024  FMEUWIKCSICJBO-UHFFFAOYSA-N               0               0   \n2025  ODJLBQGVINUMMR-HZXDTFASSA-N               0               0   \n\n      neg_salt_group  [M+]+    [M+H]+   [M+Na]+  [M+NH4]+  [M-H2O+H]+  \\\n0                  0    0.0  409.2949  431.2768  426.3214    391.2843   \n1                  0    0.0  434.3265  456.3084  451.3530    416.3159   \n2                  0    0.0  450.3214  472.3033  467.3479    432.3108   \n3                  0    0.0  500.3040  522.2860  517.3306    482.2935   \n4                  0    0.0  516.2990  538.2809  533.3255    498.2884   \n...              ...    ...       ...       ...       ...         ...   \n2021               0    0.0  345.1333  367.1152  362.1598    327.1227   \n2022               0    0.0  143.0339  165.0158  160.0604    125.0233   \n2023               0    0.0  157.1587  179.1406  174.1852    139.1481   \n2024               0    0.0  317.1020  339.0839  334.1285    299.0914   \n2025               0    0.0  405.2272  427.2091  422.2537    387.2166   \n\n        [M-H]-   [M+Cl]-  [M+C2H4O2-H]-  \n0     407.2803  443.2570       467.3014  \n1     432.3119  468.2886       492.3331  \n2     448.3068  484.2835       508.3280  \n3     498.2895  534.2662       558.3106  \n4     514.2844  550.2611       574.3055  \n...        ...       ...            ...  \n2021  343.1187  379.0954       403.1398  \n2022  141.0193  176.9960       201.0405  \n2023  155.1441  191.1208       215.1653  \n2024  315.0874  351.0641       375.1085  \n2025  403.2126  439.1893       463.2337  \n\n[2016 rows x 16 columns]",
      "text/html": "<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border=\"1\" class=\"dataframe\">\n  <thead>\n    <tr style=\"text-align: right;\">\n      <th></th>\n      <th>mix</th>\n      <th>name</th>\n      <th>formula</th>\n      <th>smiles</th>\n      <th>inchikey</th>\n      <th>formal_charges</th>\n      <th>pos_salt_group</th>\n      <th>neg_salt_group</th>\n      <th>[M+]+</th>\n      <th>[M+H]+</th>\n      <th>[M+Na]+</th>\n      <th>[M+NH4]+</th>\n      <th>[M-H2O+H]+</th>\n      <th>[M-H]-</th>\n      <th>[M+Cl]-</th>\n      <th>[M+C2H4O2-H]-</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>BEHC18_pos_R22_BA_UK_mix1</td>\n      <td>?-Muricholic acid</td>\n      <td>C24H40O5</td>\n      <td>CC(CCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CC...</td>\n      <td>DKPMWHFRUGMUKF-JDDNAIEOSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>409.2949</td>\n      <td>431.2768</td>\n      <td>426.3214</td>\n      <td>391.2843</td>\n      <td>407.2803</td>\n      <td>443.2570</td>\n      <td>467.3014</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>BEHC18_pos_R22_BA_UK_mix1</td>\n      <td>Glycolithocholic acid</td>\n      <td>C26H43NO4</td>\n      <td>CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3C...</td>\n      <td>XBSQTYHEGZTYJE-OETIFKLTSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>434.3265</td>\n      <td>456.3084</td>\n      <td>451.3530</td>\n      <td>416.3159</td>\n      <td>432.3119</td>\n      <td>468.2886</td>\n      <td>492.3331</td>\n    </tr>\n    <tr>\n      <th>2</th>\n      <td>BEHC18_pos_R22_BA_UK_mix1</td>\n      <td>Glycochenodeoxycholic acid</td>\n      <td>C26H43NO5</td>\n      <td>CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)...</td>\n      <td>GHCZAUBVMUEKKP-GYPHWSFCSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>450.3214</td>\n      <td>472.3033</td>\n      <td>467.3479</td>\n      <td>432.3108</td>\n      <td>448.3068</td>\n      <td>484.2835</td>\n      <td>508.3280</td>\n    </tr>\n    <tr>\n      <th>3</th>\n      <td>BEHC18_pos_R22_BA_UK_mix1</td>\n      <td>Tauroursodeoxycholic acid</td>\n      <td>C26H45NO6S</td>\n      <td>CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CC...</td>\n      <td>BHTRKEVKTKCXOH-LBSADWJPSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>500.3040</td>\n      <td>522.2860</td>\n      <td>517.3306</td>\n      <td>482.2935</td>\n      <td>498.2895</td>\n      <td>534.2662</td>\n      <td>558.3106</td>\n    </tr>\n    <tr>\n      <th>4</th>\n      <td>BEHC18_pos_R22_BA_UK_mix1</td>\n      <td>Tauro-?-Muricholic acid</td>\n      <td>C26H45NO7S</td>\n      <td>CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)C(O)C4CC(O...</td>\n      <td>XSOLDPYUICCHJX-SYCKBGHMSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>516.2990</td>\n      <td>538.2809</td>\n      <td>533.3255</td>\n      <td>498.2884</td>\n      <td>514.2844</td>\n      <td>550.2611</td>\n      <td>574.3055</td>\n    </tr>\n    <tr>\n      <th>...</th>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n      <td>...</td>\n    </tr>\n    <tr>\n      <th>2021</th>\n      <td>BEHC18_pos_R97_MX45_PFP_NP_PN_35</td>\n      <td>Isolaserpitin</td>\n      <td>C19H20O6</td>\n      <td>CC=C(C)C(=O)OC1C(O)c2c(ccc3ccc(=O)oc23)OC1(C)C</td>\n      <td>KJWFOHVSTFGWGZ-YHYXMXQVSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>345.1333</td>\n      <td>367.1152</td>\n      <td>362.1598</td>\n      <td>327.1227</td>\n      <td>343.1187</td>\n      <td>379.0954</td>\n      <td>403.1398</td>\n    </tr>\n    <tr>\n      <th>2022</th>\n      <td>BEHC18_pos_R97_MX45_PFP_NP_PN_35</td>\n      <td>Kojic acid</td>\n      <td>C6H6O4</td>\n      <td>O=c1cc(CO)occ1O</td>\n      <td>BEJNERDRQOWKJM-UHFFFAOYSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>143.0339</td>\n      <td>165.0158</td>\n      <td>160.0604</td>\n      <td>125.0233</td>\n      <td>141.0193</td>\n      <td>176.9960</td>\n      <td>201.0405</td>\n    </tr>\n    <tr>\n      <th>2023</th>\n      <td>BEHC18_pos_R97_MX45_PFP_NP_PN_35</td>\n      <td>MENTHOL(-)</td>\n      <td>C10H20O</td>\n      <td>CC1CCC(C(C)C)C(O)C1</td>\n      <td>NOOLISFMXDJSKH-UHFFFAOYSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>157.1587</td>\n      <td>179.1406</td>\n      <td>174.1852</td>\n      <td>139.1481</td>\n      <td>155.1441</td>\n      <td>191.1208</td>\n      <td>215.1653</td>\n    </tr>\n    <tr>\n      <th>2024</th>\n      <td>BEHC18_pos_R97_MX45_PFP_NP_PN_35</td>\n      <td>methyl 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-di...</td>\n      <td>C17H16O6</td>\n      <td>COC(=O)CC1CC2=C(C(=O)c3c(O)cccc3C2=O)C(C)O1</td>\n      <td>FMEUWIKCSICJBO-UHFFFAOYSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>317.1020</td>\n      <td>339.0839</td>\n      <td>334.1285</td>\n      <td>299.0914</td>\n      <td>315.0874</td>\n      <td>351.0641</td>\n      <td>375.1085</td>\n    </tr>\n    <tr>\n      <th>2025</th>\n      <td>BEHC18_pos_R97_MX45_PFP_NP_PN_35</td>\n      <td>Strophanthidin</td>\n      <td>C23H32O6</td>\n      <td>CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(...</td>\n      <td>ODJLBQGVINUMMR-HZXDTFASSA-N</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0</td>\n      <td>0.0</td>\n      <td>405.2272</td>\n      <td>427.2091</td>\n      <td>422.2537</td>\n      <td>387.2166</td>\n      <td>403.2126</td>\n      <td>439.1893</td>\n      <td>463.2337</td>\n    </tr>\n  </tbody>\n</table>\n<p>2016 rows × 16 columns</p>\n</div>"
     },
     "execution_count": 455,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "string_search(std_list_adducts, 'formal_charges', 0)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 456,
   "outputs": [],
   "source": [
    "std_list_adducts.to_csv(os.path.join(source_dir, \"std_list_sanitized_adducts.csv\"), index = False)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "markdown",
   "source": [
    "# Check for missing MZML files"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%% md\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 68,
   "outputs": [],
   "source": [
    "mzml_dir_pos_HCD = '/Volumes/Samsung_T5/20220713_TS_NP_HCD-UVPD_sequential/pos_HCD-MS2'\n",
    "mzml_dir_pos_UVPD = '/Volumes/Samsung_T5/20220713_TS_NP_HCD-UVPD_sequential/pos_UVPD-MS2'\n",
    "mzml_dir_neg_HCD = '/Volumes/Samsung_T5/20220713_TS_NP_HCD-UVPD_sequential/neg_HCD-MS2'\n",
    "mzml_dir_neg_UVPD = '/Volumes/Samsung_T5/20220713_TS_NP_HCD-UVPD_sequential/neg_UVPD-MS2'"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 59,
   "outputs": [],
   "source": [
    "from toolsets.file_io import check_missing_files"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": 83,
   "outputs": [],
   "source": [
    "goods, duplicates, missings = check_missing_files(std_list_neg['Mix'].unique(), '.mzML', mzml_dir_neg_UVPD)"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "outputs": [],
   "source": [
    "features_dir = '/Users/fanzhoukong/Documents/GitHub/Libgen_data/GT/features'\n",
    "bad_files = []\n",
    "missing_files = []\n",
    "negative_files = []\n",
    "for mix in (std_list['Mix'].unique()):\n",
    "    for enzyme in tqdm(enzyme_list['List of enzymes'].unique()):\n",
    "        filename =enzyme+\"_\"+\"Mix\"+\"_\"+str(mix)\n",
    "        feature_path = os.path.join(feature_dir, filename+\".csv\")\n",
    "        if os.path.exists(feature_path) ==True:\n",
    "            try:\n",
    "                features = read_in_alphapept(feature_path)\n",
    "                if features['charge'].min()<0:\n",
    "                    negative_files.append(filename)\n",
    "            except:\n",
    "                bad_files.append(filename)\n",
    "                # print(\"the file is bad %s\" %(filename) )\n",
    "        else:\n",
    "            missing_files.append(filename)\n",
    "            # print(\"the file doesnt exist\")"
   ],
   "metadata": {
    "collapsed": false,
    "pycharm": {
     "name": "#%%\n"
    }
   }
  }
 ],
 "metadata": {
  "kernelspec": {
   "name": "alphapept_env",
   "language": "python",
   "display_name": "alphapept_env"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 2
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython2",
   "version": "2.7.6"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 0
}