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view test-data/compound_fragments_result.txt @ 5:78d5a12406c2 draft
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author | workflow4metabolomics |
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date | Fri, 05 Aug 2022 17:25:45 +0000 |
parents | 856001213966 |
children | 77abacd33c31 |
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"compoundName" "inchikey" "elemcomposition" "fragment" "fragment_mz" "ppm" "fileid" "CorWithPrecursor" "AbsoluteIntensity" "relativeIntensity" "corValid" "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 84 NA "7" 0.601436519480403 406.383798606 0.00344160476662782 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 123 NA "7" -0.167860259307508 295.871994004 0.00250569650751035 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 126 NA "7" 0.907929868611774 430.137959956 0.00364277527394095 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 137 NA "7" 0.676403388268515 430.806630151 0.00364843814371653 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 146 NA "7" -0.125051837812104 538.358772757 0.00455928145962519 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 148 NA "7" 0.1558553290912 143.310915941 0.00121367912083162 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 149 NA "7" -0.276972713799663 617.416199707 0.00522880720932724 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 150 NA "7" -0.410733329402461 5080.527405 0.0430262411887723 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 151 NA "7" -0.243340932574313 218.539256565 0.00185077690023418 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 154 NA "7" 0.991757449276389 16836.882397703 0.14258908675458 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 164 NA "7" 0.146040591250743 1829.10214243 0.0154903976822645 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 180 NA "7" 0.39213526382476 209.753137589 0.00177636854770712 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 182 NA "7" 1 118079.7407496 1 TRUE "5-hydroxy-thiabendazole" NA NA NA 132 NA "1" 0.710501933879621 105.532976149 6.84594522892331e-05 TRUE "5-hydroxy-thiabendazole" NA NA NA 144 NA "1" 0.276479394498518 203.085251814 0.00013174180824369 TRUE "5-hydroxy-thiabendazole" NA NA NA 146 NA "1" 0.604633971720309 166.134730821 0.000107771931516144 TRUE "5-hydroxy-thiabendazole" NA NA NA 156 NA "1" 0.191791879044897 459.381193152 0.000298001496998986 TRUE "5-hydroxy-thiabendazole" NA NA NA 158 NA "1" -0.331971393756239 13878.1056368 0.00900275482959977 FALSE "5-hydroxy-thiabendazole" NA NA NA 160 NA "1" 0.77523958114776 386.949028017 0.000251014606889261 TRUE "5-hydroxy-thiabendazole" NA NA NA 162 NA "1" -0.476769537229124 213.45186329 0.000138466649801652 FALSE "5-hydroxy-thiabendazole" NA NA NA 172 NA "1" 0.593280623618274 794.89456843 0.000515649693282338 TRUE "5-hydroxy-thiabendazole" NA NA NA 173 NA "1" 0.89953946593837 207.738348006 0.000134760281031794 TRUE "5-hydroxy-thiabendazole" NA NA NA 174 NA "1" 0.150820546879602 1525.52666664 0.000989612193854381 TRUE "5-hydroxy-thiabendazole" NA NA NA 175 NA "1" 0.646696639290413 163.18886233 0.000105860940745588 TRUE "5-hydroxy-thiabendazole" NA NA NA 176 NA "1" 0.506660895270366 1125.51529793 0.000730124020482966 TRUE "5-hydroxy-thiabendazole" NA NA NA 177 NA "1" -0.349150043770229 185.412219041 0.000120277276605531 FALSE "5-hydroxy-thiabendazole" NA NA NA 186 NA "1" -0.386785516946622 13148.1585083 0.00852923667024592 FALSE "5-hydroxy-thiabendazole" NA NA NA 188 NA "1" -0.333885650073135 540.530680192 0.000350643331229711 FALSE "5-hydroxy-thiabendazole" NA NA NA 190 NA "1" 0.710817170481525 358.462937357 0.000232535623015143 TRUE "5-hydroxy-thiabendazole" NA NA NA 191 NA "1" 0.943541098312933 285.348824959 0.000185106352354628 TRUE "5-hydroxy-thiabendazole" NA NA NA 200 NA "1" 0.285023586376285 2249.33108917 0.00145914556758363 TRUE "5-hydroxy-thiabendazole" NA NA NA 204 NA "1" 0.272327432166324 220.729373931 0.000143187585481591 TRUE "5-hydroxy-thiabendazole" NA NA NA 218 NA "1" 1 1541539.884122 1 TRUE "5-hydroxy-thiabendazole" NA NA NA 219 NA "1" 0.989745977797565 55751.12976688 0.0361658691683048 TRUE "acetamiprid-N-desmethyl" NA NA NA 99 NA "2" 0.667400010170284 282.404261107 0.000748607853773036 TRUE "acetamiprid-N-desmethyl" NA NA NA 107 NA "2" 0.644182822419527 250.776102526 0.000664766739544435 TRUE "acetamiprid-N-desmethyl" NA NA NA 121 NA "2" 0.468461643454679 182.548945409 0.000483907621278365 TRUE "acetamiprid-N-desmethyl" NA NA NA 126 NA "2" 0.99471830230169 148406.8197 0.393402388283387 TRUE "acetamiprid-N-desmethyl" NA NA NA 127 NA "2" 0.685580673617811 301.425851346 0.000799031001739535 TRUE "acetamiprid-N-desmethyl" NA NA NA 131 NA "2" 0.71686560485514 235.917765632 0.00062537970037848 TRUE "acetamiprid-N-desmethyl" NA NA NA 132 NA "2" 0.825023006886452 3437.337815361 0.00911182456866446 TRUE "acetamiprid-N-desmethyl" NA NA NA 133 NA "2" 0.609229728784487 1059.475870153 0.00280849854804084 TRUE "acetamiprid-N-desmethyl" NA NA NA 135 NA "2" -0.0630703589928776 1620.073705625 0.00429455240855075 FALSE "acetamiprid-N-desmethyl" NA NA NA 139 NA "2" 0.388512588178974 560.54565096 0.00148591552783965 TRUE "acetamiprid-N-desmethyl" NA NA NA 141 NA "2" 0.971318347491603 11361.06560494 0.0301163406874599 TRUE "acetamiprid-N-desmethyl" NA NA NA 146 NA "2" 0.677368485127156 744.749183894 0.00197420919205914 TRUE "acetamiprid-N-desmethyl" NA NA NA 147 NA "2" 0.814646347538386 171.753984928 0.00045529193337915 TRUE "acetamiprid-N-desmethyl" NA NA NA 149 NA "2" -0.156704527239734 1569.49830252 0.00416048522477764 FALSE "acetamiprid-N-desmethyl" NA NA NA 151 NA "2" 0.451637386634768 547.910546303 0.00145242191643876 TRUE "acetamiprid-N-desmethyl" NA NA NA 153 NA "2" 0.307104196288287 353.766232977 0.00093777685707774 TRUE "acetamiprid-N-desmethyl" NA NA NA 156 NA "2" 0.486407391413412 347.237878558 0.000920471249254685 TRUE "acetamiprid-N-desmethyl" NA NA NA 159 NA "2" 0.161971228755214 544.50952719 0.00144340636685447 TRUE "acetamiprid-N-desmethyl" NA NA NA 163 NA "2" -0.0146119879123163 804.357781409 0.00213222190786309 FALSE "acetamiprid-N-desmethyl" NA NA NA 165 NA "2" 0.907832718528441 5504.73675146 0.0145921635493123 TRUE "acetamiprid-N-desmethyl" NA NA NA 167 NA "2" 0.967321684550227 14122.07723917 0.0374353343373474 TRUE "acetamiprid-N-desmethyl" NA NA NA 168 NA "2" 0.977465016016083 20360.7667386 0.0539730874796597 TRUE "acetamiprid-N-desmethyl" NA NA NA 173 NA "2" 0.825972891702218 4449.28006372 0.0117943192014181 TRUE "acetamiprid-N-desmethyl" NA NA NA 174 NA "2" 0.438640287775404 357.580513016 0.00094788789429259 TRUE "acetamiprid-N-desmethyl" NA NA NA 175 NA "2" -0.153796105444945 275.919033053 0.000731416566942933 FALSE "acetamiprid-N-desmethyl" NA NA NA 177 NA "2" -0.495623187250053 34391.2702636 0.0911656747658185 FALSE "acetamiprid-N-desmethyl" NA NA NA 179 NA "2" 0.00427133435060827 165.392969587 0.000438429914287877 TRUE "acetamiprid-N-desmethyl" NA NA NA 180 NA "2" 0.855262507886083 2962.451229122 0.00785297731644369 TRUE "acetamiprid-N-desmethyl" NA NA NA 181 NA "2" 0.514902430711196 334.53332619 0.000886793543245312 TRUE "acetamiprid-N-desmethyl" NA NA NA 182 NA "2" 0.983758938668445 16217.3405395 0.0429895372243752 TRUE "acetamiprid-N-desmethyl" NA NA NA 191 NA "2" 0.248678055177222 2196.72544869 0.00582316257207377 TRUE "acetamiprid-N-desmethyl" NA NA NA 192 NA "2" 0.98871539868282 29705.473639 0.0787443885550213 TRUE "acetamiprid-N-desmethyl" NA NA NA 193 NA "2" 0.375698142428829 714.29845333 0.0018934892483728 TRUE "acetamiprid-N-desmethyl" NA NA NA 195 NA "2" 0.144605138810588 367.760202152 0.000974872597732636 TRUE "acetamiprid-N-desmethyl" NA NA NA 207 NA "2" 0.7622236383338 134.383083348 0.000356227739674342 TRUE "acetamiprid-N-desmethyl" NA NA NA 209 NA "2" 1 377239.244397 1 TRUE "acetamiprid-N-desmethyl" NA NA NA 210 NA "2" 0.765065526384015 386.747904794 0.00102520591518043 TRUE "Acetochlor" NA NA NA 90 NA "1" -0.413542784417976 168.935868988 0.00157592376551218 FALSE "Acetochlor" NA NA NA 105 NA "1" 0.0886345509407037 645.152495867 0.00601832610627245 TRUE "Acetochlor" NA NA NA 106 NA "1" -0.293052763132192 236.024559512 0.00220176280388344 FALSE "Acetochlor" NA NA NA 108 NA "1" 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-0.0923918791297787 2237.85539434 0.0208759070577874 FALSE "Acetochlor" NA NA NA 188 NA "1" -0.191587550018626 4602.40566264 0.0429336913808246 FALSE "Acetochlor" NA NA NA 192 NA "1" -0.296095034301861 308.925148018 0.00288181832219726 FALSE "Acetochlor" NA NA NA 194 NA "1" 0.259284492453656 715.460827596 0.00667419967266773 TRUE "Acetochlor" NA NA NA 196 NA "1" 0.256252254525688 141.90940619 0.00132380652554271 TRUE "Acetochlor" NA NA NA 198 NA "1" 0.26612556611455 206.362589833 0.0019250601519892 TRUE "Acetochlor" NA NA NA 206 NA "1" -0.103848204114401 1366.751734653 0.0127497881479963 FALSE "Acetochlor" NA NA NA 208 NA "1" 0.14680023271578 230.938957684 0.00215432160130942 TRUE "Acetochlor" NA NA NA 209 NA "1" -0.285178652800338 250.230108255 0.00233427972879905 FALSE "Acetochlor" NA NA NA 210 NA "1" -0.150121465648155 2176.80463217 0.0203063930310583 FALSE "Acetochlor" NA NA NA 211 NA "1" 0.351817549891049 157.548359398 0.00146969501077594 TRUE "Acetochlor" NA NA NA 212 NA "1" 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0.202965937972007 160.343672044 0.0014957711759933 TRUE "Acetochlor" NA NA NA 242 NA "1" 0.124997914136909 329.957005985 0.00307801469542233 TRUE "Acetochlor" NA NA NA 252 NA "1" -0.19893084330067 2059.789746802 0.0192148158552058 FALSE "Acetochlor" NA NA NA 253 NA "1" -0.0791613436472404 452.481779105 0.00422099103893356 FALSE "Acetochlor" NA NA NA 256 NA "1" 0.186204065321267 164.824254505 0.00153756843566305 TRUE "Acetochlor" NA NA NA 261 NA "1" -0.242902770076295 257.921786798 0.00240603180303412 FALSE "Acetochlor" NA NA NA 270 NA "1" 1 16594.42395571 0.154801625276191 TRUE "Acetochlor" NA NA NA 271 NA "1" -0.253532188775508 779.655446051 0.00727304126532208 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 77 NA "3" 0.69477920751872 870.478060227 0.0014242295653631 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 89 NA "3" 0.676653604256223 165.940935375 0.000271503667999917 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 95 NA "3" 0.521609484198171 238.079426778 0.000389532802737732 TRUE 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NA NA NA 151 NA "3" 0.998571995173738 159431.3573291 0.260853045158726 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 155 NA "3" 0.274165989375019 547.054241654 0.00089506084118621 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 157 NA "3" 0.521741962188308 155.837506292 0.000254972978636183 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 159 NA "3" 0.599002952882604 238.00416661 0.000389409666082994 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 167 NA "3" 0.564592368281745 257.318804747 0.000421011242200641 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 168 NA "3" -0.146991507106656 151.218960753 0.000247416361868721 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 169 NA "3" -0.107419781343326 3788.50213244 0.00619854421610022 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 171 NA "3" 0.111676250736762 382.563049794 0.000625929165853998 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 173 NA "3" 0.884908337751885 458.223273266 0.0007497203699226 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 176 NA "3" 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"Chlorfenvinphos" NA NA NA 171 NA "3" -0.531295080469301 99.739204413 0.0012422884535372 FALSE "Chlorfenvinphos" NA NA NA 173 NA "3" -0.198218744905989 168.180216313 0.0020947464145984 FALSE "Chlorfenvinphos" NA NA NA 181 NA "3" -0.128976632201229 461.190903668 0.00574430223175579 FALSE "Chlorfenvinphos" NA NA NA 185 NA "3" -0.2544333889353 247.534089571 0.00308312807527082 FALSE "Chlorfenvinphos" NA NA NA 203 NA "3" -0.172388876944166 163.480865011 0.00203621426672387 FALSE "Chlorfenvinphos" NA NA NA 205 NA "3" 0.752272235645639 6250.3470306075 0.0778503697961336 TRUE "Chlorfenvinphos" NA NA NA 213 NA "3" 0.264335947671665 352.834961408 0.004394689140956 TRUE "Chlorfenvinphos" NA NA NA 217 NA "3" -0.442009813945246 491.887822143 0.00612664363506956 FALSE "Chlorfenvinphos" NA NA NA 227 NA "3" 0.458106805328464 167.324791902 0.00208409178911874 TRUE "Chlorfenvinphos" NA NA NA 229 NA "3" -0.395326148767009 213.640604973 0.00266097226588732 FALSE "Chlorfenvinphos" NA NA NA 231 NA "3" 0.234108428261132 159.982762809 0.00199264411795024 TRUE "Chlorfenvinphos" NA NA NA 239 NA "3" -0.171996620639336 142.366676804 0.00177322929135997 FALSE "Chlorfenvinphos" NA NA NA 247 NA "3" -0.232816566716532 148.446807872 0.0018489595587731 FALSE "Chlorfenvinphos" NA NA NA 256 NA "3" 0.394955111460252 475.08197783 0.00591732066658534 TRUE "Chlorfenvinphos" NA NA NA 257 NA "3" 0.227845777482218 243.51356935 0.00303305101803785 TRUE "Chlorfenvinphos" NA NA NA 263 NA "3" 0.313835212054095 156.506553191 0.0019493466493577 TRUE "Chlorfenvinphos" NA NA NA 269 NA "3" 0.0471043568125147 652.63590526 0.00812882009877573 TRUE "Chlorfenvinphos" NA NA NA 270 NA "3" 0.414268218911412 122.097583527 0.00152077028399292 TRUE "Chlorfenvinphos" NA NA NA 271 NA "3" -0.208600220564307 998.660381296 0.0124386821409954 FALSE "Chlorfenvinphos" NA NA NA 277 NA "3" -0.0965894124411186 2095.40770716 0.0260990732318137 FALSE "Chlorfenvinphos" NA NA NA 281 NA "3" -0.469852594334717 209.236600657 0.00260611877328836 FALSE "Chlorfenvinphos" NA NA NA 285 NA "3" 0.0829139920350994 331.69540905 0.00413138824576793 TRUE "Chlorfenvinphos" NA NA NA 297 NA "3" 0.377407626252506 235.281828857 0.00293052166433834 TRUE "Chlorfenvinphos" NA NA NA 299 NA "3" 0.0684165551844081 4636.7299574 0.0577521760089082 TRUE "Chlorfenvinphos" NA NA NA 301 NA "3" 0.755131276527433 309.120713465 0.00385021211415135 TRUE "Chlorfenvinphos" NA NA NA 303 NA "3" 0.256144790638075 675.674108275 0.00841576938581104 TRUE "Chlorfenvinphos" NA NA NA 313 NA "3" -0.204360058382281 243.367131218 0.00303122707727542 FALSE "Chlorfenvinphos" NA NA NA 315 NA "3" -0.382059666252692 364.384241579 0.00453853967082075 FALSE "Chlorfenvinphos" NA NA NA 317 NA "3" 0.310202941106162 455.98356629 0.00567944293057693 TRUE "Chlorfenvinphos" NA NA NA 318 NA "3" 0.415225959687801 228.938733097 0.00285151607502464 TRUE "Chlorfenvinphos" NA NA NA 323 NA "3" -0.314263466258524 563.653416619 0.00702051049417945 FALSE "Chlorfenvinphos" NA NA NA 327 NA "3" -0.140520115757785 2409.41143152 0.0300101050415808 FALSE "Chlorfenvinphos" NA NA NA 331 NA "3" 0.71483882497497 12451.37509615 0.155086453753502 TRUE "Chlorfenvinphos" NA NA NA 341 NA "3" -0.150166105415009 1974.064373155 0.0245876974028676 FALSE "Chlorfenvinphos" NA NA NA 342 NA "3" 0.842450324350269 114.13835049 0.00142163511082737 TRUE "Chlorfenvinphos" NA NA NA 343 NA "3" -0.147385439331454 393.598319057 0.0049024117444477 FALSE "Chlorfenvinphos" NA NA NA 359 NA "3" 1 22584.7152179 0.28130092982741 TRUE "Chlorfenvinphos" NA NA NA 360 NA "3" -0.226912638302916 850.672736164 0.0105954416229301 FALSE "Chlorfenvinphos" NA NA NA 119 NA "6" 0.0731250401711081 66.353376868 0.000891803512611579 TRUE "Chlorfenvinphos" NA NA NA 127 NA "6" 0.967444814451871 20710.93127215 0.278359325927056 TRUE "Chlorfenvinphos" NA NA NA 155 NA "6" 0.963091521050382 74403.5832217 1 TRUE "Chlorfenvinphos" NA NA NA 170 NA "6" 0.449862694478131 251.752763748 0.00338361074624395 TRUE "Chlorfenvinphos" NA NA NA 177 NA "6" 0.170534803208042 308.496086376 0.00414625308376313 TRUE "Chlorfenvinphos" NA NA NA 181 NA "6" -0.0163271234849685 354.258750916 0.00476131303865322 FALSE "Chlorfenvinphos" NA NA NA 185 NA "6" 0.257029822176199 620.034171576 0.00833339127940232 TRUE "Chlorfenvinphos" NA NA NA 187 NA "6" 0.089332028465713 255.646638389 0.00343594525047605 TRUE "Chlorfenvinphos" NA NA NA 195 NA "6" -0.00564478295778355 215.919657704 0.00290200617167355 FALSE "Chlorfenvinphos" NA NA NA 205 NA "6" 0.920038935805411 4144.892359716 0.0557082358166203 TRUE "Chlorfenvinphos" NA NA NA 215 NA "6" -0.485598529136673 111.581706056 0.00149968188660377 FALSE "Chlorfenvinphos" NA NA NA 217 NA "6" -0.102544969577153 184.536623947 0.00248021151611929 FALSE "Chlorfenvinphos" NA NA NA 227 NA "6" -0.218545060535632 385.765646933 0.00518477242935378 FALSE "Chlorfenvinphos" NA NA NA 257 NA "6" -0.190658380546032 116.439049717 0.00156496561959989 FALSE "Chlorfenvinphos" NA NA NA 263 NA "6" -0.283711355460578 130.036875959 0.00174772329944822 FALSE "Chlorfenvinphos" NA NA NA 269 NA "6" -0.096686341821556 521.926541329 0.00701480384047927 FALSE "Chlorfenvinphos" NA NA NA 271 NA "6" -0.29431709758827 286.086881162 0.00384506859447277 FALSE "Chlorfenvinphos" NA NA NA 277 NA "6" -0.244117217731705 7365.76094096 0.0989973953137751 FALSE "Chlorfenvinphos" NA NA NA 287 NA "6" -0.285814972272172 1436.521243097 0.0193071513614688 FALSE "Chlorfenvinphos" NA NA NA 299 NA "6" 0.0846894086356431 4075.071828875 0.054769833016409 TRUE "Chlorfenvinphos" NA NA NA 301 NA "6" 0.659557765349154 184.163766389 0.00247520023115349 TRUE "Chlorfenvinphos" NA NA NA 303 NA "6" 0.432503000199826 558.96223402 0.00751257143563184 TRUE "Chlorfenvinphos" NA NA NA 315 NA "6" -0.531353518553151 228.835577496 0.00307559888364704 FALSE "Chlorfenvinphos" NA NA NA 317 NA "6" 0.102388860009693 371.096517574 0.00498761620751847 TRUE "Chlorfenvinphos" NA NA NA 327 NA "6" -0.0392538720434494 857.215583061 0.0115211599487992 FALSE "Chlorfenvinphos" NA NA NA 331 NA "6" 0.927142862540353 10942.34945269 0.147067506414108 TRUE "Chlorfenvinphos" NA NA NA 341 NA "6" 0.27843013514813 681.509114277 0.0091596275981267 TRUE "Chlorfenvinphos" NA NA NA 359 NA "6" 1 70775.23458992 0.951234221865785 TRUE "Chlorfenvinphos" NA NA NA 360 NA "6" 0.211699399531209 336.06626725 0.0045168021847634 TRUE "Chlormequat" NA NA NA 104 NA "3" 0.258848039085982 1344.00603488 0.0035075545862099 TRUE "Chlormequat" NA NA NA 122 NA "3" 1 383174.65968 1 TRUE "Chlormequat" NA NA NA 104 NA "7" -0.238480528781348 249.84195518 0.00659545474896182 FALSE "Chlormequat" NA NA NA 122 NA "7" 1 37880.9293202 1 TRUE "Desisopropylatrazine" NA NA NA 79 NA "1" -0.00233999251843864 530.25218964 0.0010623465213357 TRUE "Desisopropylatrazine" NA NA NA 115 NA "1" 0.0134526232413478 19215.13916 0.0384970333785257 TRUE "Desisopropylatrazine" NA NA NA 130 NA "1" 0.263395383425939 3994.6477049 0.00800317316208218 TRUE "Desisopropylatrazine" NA NA NA 132 NA "1" -0.0312768712385 7326.0765379 0.0146776045005323 FALSE "Desisopropylatrazine" NA NA NA 133 NA "1" 0.249785689081156 9816.328859 0.0196667604950881 TRUE "Desisopropylatrazine" NA NA NA 142 NA "1" -0.064738762712863 4465.0982056 0.0089457085492884 FALSE "Desisopropylatrazine" NA NA NA 146 NA "1" 0.267964087777204 1514.5723649 0.00303440648544061 TRUE "Desisopropylatrazine" NA NA NA 156 NA "1" -0.877674937275134 2233.4023818 0.00447456379700939 FALSE "Desisopropylatrazine" NA NA NA 159 NA "1" -0.178626327953242 56937.500976 0.114072807764298 FALSE "Desisopropylatrazine" NA NA NA 174 NA "1" 1 499132.98438 1 TRUE "Dichlorvos" NA NA NA 77 NA "8" 0.673126587009387 741.86317154 0.00161896017936163 TRUE "Dichlorvos" NA NA NA 79 NA "8" 0.878900088282318 1378.256703748 0.00300775507655178 TRUE "Dichlorvos" NA NA NA 95 NA "8" 0.23830151975066 167.451852342 0.000365428412276191 TRUE "Dichlorvos" NA NA NA 99 NA "8" 0.0952811367061809 779.789044359 0.00170172541184249 TRUE "Dichlorvos" NA NA NA 105 NA "8" 0.421334905224525 170.538307904 0.000372163951715189 TRUE "Dichlorvos" NA NA NA 107 NA "8" 0.259129043686515 193.227040286 0.000421677333233239 TRUE "Dichlorvos" NA NA NA 109 NA "8" 0.967088540122942 63244.728942055 0.138018305315196 TRUE "Dichlorvos" NA NA NA 111 NA "8" 0.669971084873578 362.689319128 0.000791493078068717 TRUE "Dichlorvos" NA NA NA 117 NA "8" 0.427724412537125 150.021759756 0.000327390904954265 TRUE "Dichlorvos" NA NA NA 119 NA "8" 0.352320220252662 842.015996927 0.00183752263450484 TRUE "Dichlorvos" NA NA NA 121 NA "8" 0.347913703205373 778.073791986 0.00169798223466916 TRUE "Dichlorvos" NA NA NA 123 NA "8" 0.375380270767784 270.12158084 0.000589483478548166 TRUE "Dichlorvos" NA NA NA 127 NA "8" 0.948284758535013 7147.09441171 0.0155970287980156 TRUE "Dichlorvos" NA NA NA 133 NA "8" 0.111433255667834 852.743870701 0.00186093396036062 TRUE "Dichlorvos" NA NA NA 135 NA "8" 0.0748728027193132 220.929068083 0.000482131176490902 TRUE "Dichlorvos" NA NA NA 137 NA "8" 0.453769927098964 505.667025571 0.00110351181972854 TRUE "Dichlorvos" NA NA NA 139 NA "8" 0.467524552074558 137.935647968 0.000301015510597557 TRUE "Dichlorvos" NA NA NA 143 NA "8" 0.278796612798532 266.444155698 0.000581458272424074 TRUE "Dichlorvos" NA NA NA 145 NA "8" 0.994170372012309 44316.40897363 0.0967112321692371 TRUE "Dichlorvos" NA NA NA 146 NA "8" 0.346301417994264 207.562618724 0.000452961714948885 TRUE "Dichlorvos" NA NA NA 147 NA "8" -0.183799172220307 819.102781302 0.00178751936557185 FALSE "Dichlorvos" NA NA NA 149 NA "8" 0.291827272614207 273.867382537 0.000597657902107486 TRUE "Dichlorvos" NA NA NA 151 NA "8" -0.0612144593206886 544.88402842 0.00118909467166422 FALSE "Dichlorvos" NA NA NA 153 NA "8" 0.459453598609755 595.225358962 0.00129895402666414 TRUE "Dichlorvos" NA NA NA 157 NA "8" -0.0788899965991259 259.340542296 0.000565956131775221 FALSE "Dichlorvos" NA NA NA 159 NA "8" 0.0596826580176188 1143.682675356 0.00249584664700842 TRUE "Dichlorvos" NA NA NA 161 NA "8" 0.106726535917086 9549.15720075 0.0208390251026838 TRUE "Dichlorvos" NA NA NA 163 NA "8" 0.0347987341572495 754.856181158 0.00164731468729325 TRUE "Dichlorvos" NA NA NA 165 NA "8" -0.380495498071025 1334.653779975 0.00291260087561511 FALSE "Dichlorvos" NA NA NA 175 NA "8" 0.149156761794573 7231.4122008 0.015781034620363 TRUE "Dichlorvos" NA NA NA 176 NA "8" -0.107338339253918 284.52136421 0.00062090797401014 FALSE "Dichlorvos" NA NA NA 177 NA "8" 0.0961702542234717 389.493910798 0.000849988455926194 TRUE "Dichlorvos" NA NA NA 178 NA "8" 0.493220332481887 482.049106835 0.00105197068462459 TRUE "Dichlorvos" NA NA NA 179 NA "8" -0.0861608852458405 2525.723908887 0.00551186066301337 FALSE "Dichlorvos" NA NA NA 185 NA "8" 0.0918293472268129 668.89163876 0.00145971517255995 TRUE "Dichlorvos" NA NA NA 189 NA "8" -0.197479261216347 5542.6118852 0.0120955834930694 FALSE "Dichlorvos" NA NA NA 191 NA "8" 0.387244221989 1667.67687608 0.00363935366788881 TRUE "Dichlorvos" NA NA NA 192 NA "8" 0.819756995871118 124.725039958 0.000272186139988758 TRUE "Dichlorvos" NA NA NA 193 NA "8" -0.217736800465349 3528.26782225 0.00769970167745111 FALSE "Dichlorvos" NA NA NA 203 NA "8" -0.00105621012897679 9102.7295684 0.0198647907863461 TRUE "Dichlorvos" NA NA NA 204 NA "8" 0.224749665606753 212.49892521 0.000463734164560272 TRUE "Dichlorvos" NA NA NA 206 NA "8" 0.0812819184416861 745.68288134 0.00162729589179507 TRUE "Dichlorvos" NA NA NA 219 NA "8" 0.850573767933108 128.129454139 0.000279615557170436 TRUE "Dichlorvos" NA NA NA 221 NA "8" 1 458234.353752 1 TRUE "Dichlorvos" NA NA NA 222 NA "8" 0.129303934081555 360.408204103 0.000786515024794618 TRUE "Fluopyram" NA NA NA 130 NA "2" 0.988179415765439 17795.909718935 0.0154226372206749 TRUE "Fluopyram" NA NA NA 145 NA "2" 0.928241190042729 3449.545446807 0.00298951213186528 TRUE "Fluopyram" NA NA NA 150 NA "2" 0.988115406284376 12058.53886978 0.0104504053648994 TRUE "Fluopyram" NA NA NA 152 NA "2" 0.714803770971941 843.962879701 0.000731411516855211 TRUE "Fluopyram" NA NA NA 170 NA "2" 0.996118661695746 54335.19384732 0.0470890219301705 TRUE "Fluopyram" NA NA NA 172 NA "2" 0.93623116209915 4358.1586747 0.00377695219022824 TRUE "Fluopyram" NA NA NA 173 NA "2" 0.996725515129425 33891.795142293 0.0293719663390324 TRUE "Fluopyram" NA NA NA 190 NA "2" 0.994751234429169 52936.742621562 0.0458770689439894 TRUE "Fluopyram" NA NA NA 208 NA "2" 0.998926992897114 741312.313808205 0.642450487985915 TRUE "Fluopyram" NA NA NA 209 NA "2" 0.479662731083597 434.75375842 0.000376774753431255 TRUE "Fluopyram" NA NA NA 223 NA "2" 0.919762443227137 180.747808449 0.000156643179369186 TRUE "Fluopyram" NA NA NA 233 NA "2" 0.447788622500763 228.889230719 0.000198364434572427 TRUE "Fluopyram" NA NA NA 239 NA "2" 0.490523688542752 454.236178877 0.000393658987372342 TRUE "Fluopyram" NA NA NA 251 NA "2" 0.399282659683872 207.703212752 0.000180003795840478 TRUE "Fluopyram" NA NA NA 253 NA "2" 0.291997563579388 381.209336282 0.000330371045451865 TRUE "Fluopyram" NA NA NA 277 NA "2" 0.472534154830253 407.468348983 0.000353128141495666 TRUE "Fluopyram" NA NA NA 293 NA "2" 0.439013773646497 230.165272235 0.000199470302476379 TRUE "Fluopyram" NA NA NA 295 NA "2" 0.556087836877115 396.002507198 0.000343191390799996 TRUE "Fluopyram" NA NA NA 297 NA "2" 0.269891270141561 261.36091041 0.000226505672853008 TRUE "Fluopyram" NA NA NA 305 NA "2" 0.13304535194746 151.392195691 0.000131202447588246 TRUE "Fluopyram" NA NA NA 307 NA "2" 0.658489317811748 176.850197312 0.000153265355838801 TRUE "Fluopyram" NA NA NA 309 NA "2" 0.620367265623824 877.951049335 0.0007608670051297 TRUE "Fluopyram" NA NA NA 312 NA "2" -0.101202655215579 313.370437142 0.000271579179938356 FALSE "Fluopyram" NA NA NA 315 NA "2" -0.0918425876545814 1665.552336677 0.00144343334318478 FALSE "Fluopyram" NA NA NA 317 NA "2" 0.747044352703202 276.576972023 0.000239692511957673 TRUE "Fluopyram" NA NA NA 319 NA "2" 0.411135022271651 205.162689204 0.000177802077937308 TRUE "Fluopyram" NA NA NA 321 NA "2" 0.668663039963109 172.5105753 0.000149504468251542 TRUE "Fluopyram" NA NA NA 322 NA "2" 0.457450301072192 363.92931174 0.000315395494671673 TRUE "Fluopyram" NA NA NA 323 NA "2" 0.525525654158042 541.443225855 0.000469236053668481 TRUE "Fluopyram" NA NA NA 325 NA "2" -0.375139543472427 284.063552627 0.000246180677974607 FALSE "Fluopyram" NA NA NA 335 NA "2" 0.85099649332553 354.179540117 0.000306945958059 TRUE "Fluopyram" NA NA NA 337 NA "2" -0.0800505936255548 6092.33305747 0.00527985610496276 FALSE "Fluopyram" NA NA NA 339 NA "2" 0.0817418256376614 1257.39245224 0.001089705889791 TRUE "Fluopyram" NA NA NA 351 NA "2" 0.0922108519959764 325.871292118 0.000282412913885544 TRUE "Fluopyram" NA NA NA 353 NA "2" 0.73819712073071 219.68107702 0.000190384285413725 TRUE "Fluopyram" NA NA NA 355 NA "2" 0.558938657015514 404.386810763 0.0003504575589405 TRUE "Fluopyram" NA NA NA 357 NA "2" 0.962259996620823 6087.032030074 0.00527526202555257 TRUE "Fluopyram" NA NA NA 361 NA "2" 0.552153478272702 857.635546693 0.000743260789310912 TRUE "Fluopyram" NA NA NA 365 NA "2" -0.00936270431495669 3128.58431621 0.00271135455760717 FALSE "Fluopyram" NA NA NA 377 NA "2" 0.95522089194523 6353.409628619 0.00550611535819805 TRUE "Fluopyram" NA NA NA 379 NA "2" 0.976200924337964 23757.38885012 0.0205890901523317 TRUE "Fluopyram" NA NA NA 380 NA "2" 0.802086185702225 299.634428489 0.000259675013101082 TRUE "Fluopyram" NA NA NA 383 NA "2" 0.514484227137365 296.36061955 0.000256837801157807 TRUE "Fluopyram" NA NA NA 397 NA "2" 1 1153882.4044359 1 TRUE "Fluopyram" NA NA NA 398 NA "2" 0.629183355208795 786.96763037 0.000682017185932154 TRUE "Hydroxy-tebuconazole" NA NA NA 105 NA "3" 0.933250800122397 148.864868642 0.000349259198550838 TRUE "Hydroxy-tebuconazole" NA NA NA 111 NA "3" -0.136986211620653 819.476129504 0.00192261329911496 FALSE "Hydroxy-tebuconazole" NA NA NA 125 NA "3" 0.937808762193969 1183.686924417 0.00277710617910255 TRUE "Hydroxy-tebuconazole" NA NA NA 129 NA "3" 0.93947878913899 361.506768723 0.000848148830994743 TRUE "Hydroxy-tebuconazole" NA NA NA 130 NA "3" 0.688489556152789 331.007312771 0.000776592555567199 TRUE "Hydroxy-tebuconazole" NA NA NA 139 NA "3" 0.773254709339752 1538.894389073 0.00361047590264274 TRUE "Hydroxy-tebuconazole" NA NA NA 142 NA "3" 0.570848007480712 609.52418229 0.00143003469754783 TRUE "Hydroxy-tebuconazole" NA NA NA 143 NA "3" 0.806393964441417 697.26483626 0.00163588736624957 TRUE "Hydroxy-tebuconazole" NA NA NA 144 NA "3" 0.617078750669289 821.504440261 0.00192737201885766 TRUE "Hydroxy-tebuconazole" NA NA NA 151 NA "3" 0.969913176100367 8918.60934376 0.020924388541131 TRUE "Hydroxy-tebuconazole" NA NA NA 163 NA "3" 0.943479253411026 4190.003754782 0.00983037412836093 TRUE "Hydroxy-tebuconazole" NA NA NA 165 NA "3" 0.974027692942281 11141.070391724 0.0261386138415883 TRUE "Hydroxy-tebuconazole" NA NA NA 177 NA "3" 0.976181868104272 5276.840125508 0.0123802544544473 TRUE "Hydroxy-tebuconazole" NA NA NA 179 NA "3" 0.985734009124796 18898.49200271 0.0443386826650093 TRUE "Hydroxy-tebuconazole" NA NA NA 181 NA "3" 0.815011717512525 2102.659529777 0.00493315305951243 TRUE "Hydroxy-tebuconazole" NA NA NA 183 NA "3" 0.629817289150805 328.86962314 0.000771577216662296 TRUE "Hydroxy-tebuconazole" NA NA NA 191 NA "3" 0.627994719460226 789.382863066 0.00185201000490732 TRUE "Hydroxy-tebuconazole" NA NA NA 193 NA "3" 0.834581905027916 786.770006146 0.00184587985262806 TRUE "Hydroxy-tebuconazole" NA NA NA 207 NA "3" 0.912806973260801 1817.33848199 0.00426374729985384 TRUE "Hydroxy-tebuconazole" NA NA NA 213 NA "3" 0.533276651096227 209.824030864 0.000492278490719679 TRUE "Hydroxy-tebuconazole" NA NA NA 219 NA "3" 0.973387546070147 5785.704654759 0.0135741265834354 TRUE "Hydroxy-tebuconazole" NA NA NA 225 NA "3" 0.158710766132164 598.46658039 0.00140409191324474 TRUE "Hydroxy-tebuconazole" NA NA NA 234 NA "3" 0.533892369953371 498.037124195 0.00116846942083577 TRUE "Hydroxy-tebuconazole" NA NA NA 236 NA "3" 0.757916887845443 401.455109619 0.000941873600660352 TRUE "Hydroxy-tebuconazole" NA NA NA 237 NA "3" 0.819617372910582 1804.698136231 0.00423409116224753 TRUE "Hydroxy-tebuconazole" NA NA NA 242 NA "3" 0.0281666681525705 492.2943644595 0.00115499604944205 TRUE "Hydroxy-tebuconazole" NA NA NA 249 NA "3" 0.148844380563395 668.821608301 0.00156915530856678 TRUE "Hydroxy-tebuconazole" NA NA NA 251 NA "3" -0.0957358039667109 294.37336396 0.000690643844375629 FALSE "Hydroxy-tebuconazole" NA NA NA 252 NA "3" 0.571270701114537 262.84086132 0.000616663887245291 TRUE "Hydroxy-tebuconazole" NA NA NA 261 NA "3" 0.307249106849353 301.249457372 0.000706776185714076 TRUE "Hydroxy-tebuconazole" NA NA NA 262 NA "3" -0.0664296147654578 356.3203392 0.000835980693306733 FALSE "Hydroxy-tebuconazole" NA NA NA 264 NA "3" -0.234448577231542 1060.76663015 0.00248871682402531 FALSE "Hydroxy-tebuconazole" NA NA NA 266 NA "3" 0.442854013871549 224.958957681 0.000527787287781417 TRUE "Hydroxy-tebuconazole" NA NA NA 268 NA "3" 0.333877814717464 167.482578998 0.00039293912556858 TRUE "Hydroxy-tebuconazole" NA NA NA 276 NA "3" 0.814390714374443 472.387895585 0.00110829250260451 TRUE "Hydroxy-tebuconazole" NA NA NA 278 NA "3" 0.275231308762053 379.986748698 0.000891505621983662 TRUE "Hydroxy-tebuconazole" NA NA NA 280 NA "3" 0.650641022624376 416.402436187 0.000976942259540319 TRUE "Hydroxy-tebuconazole" NA NA NA 282 NA "3" 0.782140125615591 155.801819332 0.000365534320145864 TRUE "Hydroxy-tebuconazole" NA NA NA 288 NA "3" 0.702501554923525 901.789572159 0.00211573292011017 TRUE "Hydroxy-tebuconazole" NA NA NA 292 NA "3" -0.282700274468723 1574.001168335 0.00369284164615631 FALSE "Hydroxy-tebuconazole" NA NA NA 296 NA "3" -0.00403563274731662 354.472442154 0.000831645251055126 TRUE "Hydroxy-tebuconazole" NA NA NA 306 NA "3" 0.939487898745732 6832.34144213 0.0160296926875516 TRUE "Hydroxy-tebuconazole" NA NA NA 307 NA "3" 0.647420935806109 170.978830823 0.000401141854133558 TRUE "Hydroxy-tebuconazole" NA NA NA 324 NA "3" 1 426230.3448547 1 TRUE "Hydroxy-tebuconazole" NA NA NA 325 NA "3" 0.526687588803207 740.769098256 0.0017379548575044 TRUE "Isoproturon" NA NA NA 72 NA "2" 0.993086605464471 59907.1442268 0.115787147683237 TRUE "Isoproturon" NA NA NA 120 NA "2" 0.927282017838371 790.062006494 0.00152701363761405 TRUE "Isoproturon" NA NA NA 134 NA "2" 0.71269989274101 432.2311039 0.000835406315999436 TRUE "Isoproturon" NA NA NA 137 NA "2" 0.213034502535958 770.65881154 0.00148951158959186 TRUE "Isoproturon" NA NA NA 147 NA "2" -0.543816345969317 1151.6802063 0.00222594095999428 FALSE "Isoproturon" NA NA NA 149 NA "2" 0.500520723996853 390.29506684 0.000754353310068573 TRUE "Isoproturon" NA NA NA 161 NA "2" 0.400505614578046 614.84665681 0.00118836144792821 TRUE "Isoproturon" NA NA NA 162 NA "2" 0.804730923860733 2048.22309885 0.00395875840011529 TRUE "Isoproturon" NA NA NA 165 NA "2" 0.985177338187729 41795.7801207 0.0807819205510825 TRUE "Isoproturon" NA NA NA 174 NA "2" -0.672244697055266 2538.22496785 0.00490582271945875 FALSE "Isoproturon" NA NA NA 175 NA "2" -0.891117335203028 41310.6113296 0.0798441974933163 FALSE "Isoproturon" NA NA NA 179 NA "2" 0.106337033555785 305.46005153 0.000590386147667693 TRUE "Isoproturon" NA NA NA 189 NA "2" -0.557815616548336 2256.78026215 0.00436185287873026 FALSE "Isoproturon" NA NA NA 193 NA "2" -0.457037805653279 900.73918538 0.00174092793819098 FALSE "Isoproturon" NA NA NA 207 NA "2" 1 517390.275393 1 TRUE "Malathion dicarboxilic acid" NA NA NA 99 NA "5" 0.0390122357382497 146.313006405 0.00728513388971739 TRUE "Malathion dicarboxilic acid" NA NA NA 101 NA "5" -0.00307888841729598 435.762945656 0.0216972604232751 TRUE "Malathion dicarboxilic acid" NA NA NA 105 NA "5" 0.592401757892981 89.451040273 0.00445389525494049 TRUE "Malathion dicarboxilic acid" NA NA NA 111 NA "5" 0.238541386362055 129.625732421 0.00645425064690212 TRUE "Malathion dicarboxilic acid" NA NA NA 113 NA "5" -0.181700362244182 214.697242755 0.0106900828412605 FALSE "Malathion dicarboxilic acid" NA NA NA 115 NA "5" -0.231992590984375 169.733005041 0.00845124912412097 FALSE "Malathion dicarboxilic acid" NA NA NA 125 NA "5" -0.250900317999769 976.859200016 0.0486392169662613 FALSE "Malathion dicarboxilic acid" NA NA NA 127 NA "5" -0.120496404762161 251.457530026 0.0125204301300888 FALSE "Malathion dicarboxilic acid" NA NA NA 133 NA "5" -0.00480587756063445 106.381536014 0.00529688885696561 TRUE "Malathion dicarboxilic acid" NA NA NA 135 NA "5" -0.090209154235706 265.367501262 0.0132130274961485 FALSE "Malathion dicarboxilic acid" NA NA NA 143 NA "5" -0.131857430656449 2027.15360119 0.100934877647263 FALSE "Malathion dicarboxilic acid" NA NA NA 145 NA "5" -0.00327881805976476 340.208190446 0.0169394524702548 TRUE "Malathion dicarboxilic acid" NA NA NA 155 NA "5" -0.103996527690727 89.39838505 0.00445127347606401 FALSE "Malathion dicarboxilic acid" NA NA NA 157 NA "5" 0.0930278278084389 283.279369826 0.014104885054885 TRUE "Malathion dicarboxilic acid" NA NA NA 159 NA "5" -0.0612368257690917 11570.4075283 0.576107142306516 FALSE "Malathion dicarboxilic acid" NA NA NA 171 NA "5" -0.19710660695736 343.725625045 0.0171145905706306 FALSE "Malathion dicarboxilic acid" NA NA NA 173 NA "5" 0.0378284550947032 276.705667733 0.0137775710239911 TRUE "Malathion dicarboxilic acid" NA NA NA 174 NA "5" -0.540544488822746 145.849533325 0.00726205690206577 FALSE "Malathion dicarboxilic acid" NA NA NA 175 NA "5" 0.184070758387235 1172.409335654 0.0583759379542223 TRUE "Malathion dicarboxilic acid" NA NA NA 177 NA "5" -0.140789116062933 180.05658699 0.00896527503724966 FALSE "Malathion dicarboxilic acid" NA NA NA 183 NA "5" -0.260101643573225 92.657263754 0.00461353770856342 FALSE "Malathion dicarboxilic acid" NA NA NA 185 NA "5" 0.435155306012117 212.018755439 0.0105567171262197 TRUE "Malathion dicarboxilic acid" NA NA NA 187 NA "5" -0.0466843753550633 941.066299451 0.0468570372453718 FALSE "Malathion dicarboxilic acid" NA NA NA 189 NA "5" -0.395771460619492 146.580297463 0.00729844269385517 FALSE "Malathion dicarboxilic acid" NA NA NA 190 NA "5" -0.103737669048405 148.989129555 0.0074183818895511 FALSE "Malathion dicarboxilic acid" NA NA NA 193 NA "5" -0.153009009646862 1596.369196382 0.0794855058946147 FALSE "Malathion dicarboxilic acid" NA NA NA 197 NA "5" -0.244011968974358 179.884572989 0.00895671021407378 FALSE "Malathion dicarboxilic acid" NA NA NA 199 NA "5" 0.150914124088504 276.667024113 0.0137756469028716 TRUE "Malathion dicarboxilic acid" NA NA NA 201 NA "5" -0.10556131251179 239.864170096 0.0119431801548682 FALSE "Malathion dicarboxilic acid" NA NA NA 203 NA "5" -0.0442733202671276 1407.858670707 0.0700992971568763 FALSE "Malathion dicarboxilic acid" NA NA NA 205 NA "5" -0.206299059029665 130.40357304 0.00649298044402344 FALSE "Malathion dicarboxilic acid" NA NA NA 213 NA "5" 0.034041946036616 282.143243319 0.0140483156908721 TRUE "Malathion dicarboxilic acid" NA NA NA 215 NA "5" -0.0174569064315414 4632.372268515 0.23065244185969 FALSE "Malathion dicarboxilic acid" NA NA NA 216 NA "5" 0.11460473836849 152.968408575 0.00761651588431708 TRUE "Malathion dicarboxilic acid" NA NA NA 217 NA "5" -0.0749466491463488 149.235903278 0.00743066910622917 FALSE "Malathion dicarboxilic acid" NA NA NA 219 NA "5" -0.229702200918307 275.246332175 0.0137049086189782 FALSE "Malathion dicarboxilic acid" NA NA NA 229 NA "5" -0.0736331507746074 508.844859597 0.0253361134621037 FALSE "Malathion dicarboxilic acid" NA NA NA 231 NA "5" -0.398924747325029 548.515546309 0.027311373702427 FALSE "Malathion dicarboxilic acid" NA NA NA 233 NA "5" -0.0593443075085707 5883.46527449 0.292946152316215 FALSE "Malathion dicarboxilic acid" NA NA NA 239 NA "5" -0.250539714331339 289.00519777 0.0143899822190159 FALSE "Malathion dicarboxilic acid" NA NA NA 243 NA "5" -0.0531886469417714 3332.41069708 0.165925495622409 FALSE "Malathion dicarboxilic acid" NA NA NA 245 NA "5" -0.230543139716182 369.79291249 0.0184125181017819 FALSE "Malathion dicarboxilic acid" NA NA NA 247 NA "5" -0.0791167715438849 453.035788533 0.0225572999789294 FALSE "Malathion dicarboxilic acid" NA NA NA 257 NA "5" 0.106470337603423 20083.7772675 1 TRUE "Malathion dicarboxilic acid" NA NA NA 261 NA "5" 0.355868386838636 138.486630433 0.00689544743443765 TRUE "Malathion dicarboxilic acid" NA NA NA 275 NA "5" 1 7538.973325 0.375376266356017 TRUE "Methamidophos" NA NA NA 94 NA "10" 0.976908842717177 9354.73397623 0.0482149771671354 TRUE "Methamidophos" NA NA NA 100 NA "10" 0.513584871583348 164.780854231 0.000849292469942643 TRUE "Methamidophos" NA NA NA 110 NA "10" 0.284212959905891 434.336410282 0.0022386013496283 TRUE "Methamidophos" NA NA NA 112 NA "10" 0.703154152581651 915.166019881 0.00471683201946947 TRUE "Methamidophos" NA NA NA 114 NA "10" -0.0808744594898649 205.122636803 0.00105721694225077 FALSE "Methamidophos" NA NA NA 124 NA "10" -0.178837358040908 522.942952646 0.00269528589328229 FALSE "Methamidophos" NA NA NA 125 NA "10" 0.944616104231969 4800.928386691 0.0247443329904978 TRUE "Methamidophos" NA NA NA 142 NA "10" 1 194021.3295923 1 TRUE "Methamidophos" NA NA NA 143 NA "10" 0.462998313752461 215.166582594 0.0011089841670817 TRUE "Metolachlor" NA NA NA 176 NA "2" 0.791796112912307 995.27586705 0.00140948787866654 TRUE "Metolachlor" NA NA NA 196 NA "2" 0.390316117761383 165.330739505 0.000234137771263337 TRUE "Metolachlor" NA NA NA 212 NA "2" 0.793947617278503 3303.57566825 0.00467845148748308 TRUE "Metolachlor" NA NA NA 220 NA "2" 0.784265545338331 134.73387814 0.000190807166506454 TRUE "Metolachlor" NA NA NA 222 NA "2" 0.837765555939223 149.329081531 0.000211476573800797 TRUE "Metolachlor" NA NA NA 224 NA "2" 0.333881608192525 1240.410666011 0.0017566424106045 TRUE "Metolachlor" NA NA NA 238 NA "2" 0.0957538782410419 278.464510935 0.000394355339856714 TRUE "Metolachlor" NA NA NA 240 NA "2" 0.702714684679668 309.572997085 0.000438410496425569 TRUE "Metolachlor" NA NA NA 241 NA "2" 0.310895385493475 198.540365455 0.000281168515985718 TRUE "Metolachlor" NA NA NA 243 NA "2" 0.131240121206885 350.776814924 0.000496762440566436 TRUE "Metolachlor" NA NA NA 248 NA "2" 0.61859332075056 330.1702237165 0.000467579837542316 TRUE "Metolachlor" NA NA NA 252 NA "2" 0.917041451436126 706125.8788487 1 TRUE "Metolachlor" NA NA NA 253 NA "2" 0.855704337813672 610.27153687 0.000864253180842224 TRUE "Metolachlor" NA NA NA 256 NA "2" 0.912087870841402 160.856989391 0.000227802144361666 TRUE "Metolachlor" NA NA NA 266 NA "2" -0.228646021214337 2686.12464523 0.00380403087564158 FALSE "Metolachlor" NA NA NA 267 NA "2" -0.172706372060116 90.919785974 0.000128758609048913 FALSE "Metolachlor" NA NA NA 284 NA "2" 1 27717.1231987 0.0392523826543382 TRUE "Metolachlor" NA NA NA 285 NA "2" 0.516690728602645 786.727229625 0.00111414586717558 TRUE "Metolachlor" NA NA NA 105 NA "6" 0.147510907385547 67.732931137 0.000302088164521329 TRUE "Metolachlor" NA NA NA 212 NA "6" 0.56820247221881 1215.116215726 0.00541940561447594 TRUE "Metolachlor" NA NA NA 224 NA "6" -0.111227845735124 339.173356055 0.00151270962093686 FALSE "Metolachlor" NA NA NA 252 NA "6" 0.993045070992658 224215.7723866 1 TRUE "Metolachlor" NA NA NA 266 NA "6" -0.146787460104817 628.791106722 0.00280440176009482 FALSE "Metolachlor" NA NA NA 284 NA "6" 1 155026.670419 0.691417328802802 TRUE "Metolachlor" NA NA NA 285 NA "6" 0.118321686070868 459.575310689 0.00204970107944318 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 72 NA "1" 0.831213054372806 1933.43451305 0.00181816864864583 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 91 NA "1" 0.822308544953969 1277.57458017 0.00120140921882462 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 100 NA "1" 0.904831380805312 4819.97843154 0.0045326250318924 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 119 NA "1" 0.996276922706082 196757.537712 0.185027413154208 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 159 NA "1" 0.318506076968014 5745.2918091 0.00540277385870641 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 160 NA "1" -0.60812844929883 81418.296387 0.076564369218524 FALSE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 174 NA "1" -0.0254778159834255 6464.1887357 0.00607881219604324 FALSE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 178 NA "1" 0.189033868824133 1156.2770652 0.00108734311656538 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 192 NA "1" 1 1063396.68462 1 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 193 NA "1" 0.843516913487705 669.860601479 0.000629925418394897 TRUE "Nigericin" NA NA NA 303 NA "8" 0.69388156788724 256.771903521 2.6267948084131e-05 TRUE "Nigericin" NA NA NA 345 NA "8" 0.488441108859454 170.187350269 1.74102867959473e-05 TRUE "Nigericin" NA NA NA 361 NA "8" -0.298158261851774 270.481686601 2.76704686296107e-05 FALSE "Nigericin" NA NA NA 377 NA "8" 0.921913240362568 212.930380819 2.17829291764015e-05 TRUE "Nigericin" NA NA NA 399 NA "8" -0.00219607480717936 155.459186543 1.59035851871495e-05 TRUE "Nigericin" NA NA NA 419 NA "8" -0.128312924215981 334.087566385 3.41773953030539e-05 FALSE "Nigericin" NA NA NA 485 NA "8" -0.153312907002539 192.458596704 1.96886511228122e-05 FALSE "Nigericin" NA NA NA 491 NA "8" -0.422922944471844 124.569573874 1.27435558739663e-05 FALSE "Nigericin" NA NA NA 501 NA "8" 0.330721867433802 1962.279740704 0.000200742611043264 TRUE "Nigericin" NA NA NA 502 NA "8" 0.746783956260905 200.27525187 2.04883004975159e-05 TRUE "Nigericin" NA NA NA 507 NA "8" -0.354836880533629 218.69433498 2.23725857805091e-05 FALSE "Nigericin" NA NA NA 509 NA "8" -0.728921794848418 199.1876421 2.03770372456477e-05 FALSE "Nigericin" NA NA NA 523 NA "8" 0.0880948030696946 240.14782524 2.45672930699186e-05 TRUE "Nigericin" NA NA NA 525 NA "8" 0.117962948439402 576.361316696 5.89621720175225e-05 TRUE "Nigericin" NA NA NA 559 NA "8" 0.84810344800213 103.529180519 1.05911086913109e-05 TRUE "Nigericin" NA NA NA 567 NA "8" -0.752351991905382 249.41364288 2.55151927948768e-05 FALSE "Nigericin" NA NA NA 568 NA "8" -0.532840101817629 259.228322029 2.65192414419954e-05 FALSE "Nigericin" NA NA NA 573 NA "8" 0.244836394250901 221.88957263 2.26994608612938e-05 TRUE "Nigericin" NA NA NA 580 NA "8" 0.992118727855313 194.64446546 1.99122670489084e-05 TRUE "Nigericin" NA NA NA 583 NA "8" -0.188987118257525 7100.821918505 0.000726419125115431 FALSE "Nigericin" NA NA NA 589 NA "8" -0.259152968299446 295.832520469 3.0263876937929e-05 FALSE "Nigericin" NA NA NA 597 NA "8" -0.0565070203738975 733.689611459 7.50569683029789e-05 FALSE "Nigericin" NA NA NA 599 NA "8" 0.972283168725802 643.235493679 6.58034478154985e-05 TRUE "Nigericin" NA NA NA 605 NA "8" 0.429575707714564 667.355635634 6.82709554671057e-05 TRUE "Nigericin" NA NA NA 607 NA "8" 0.386766245051255 160.19072342 1.63876247699032e-05 TRUE "Nigericin" NA NA NA 641 NA "8" -0.367379921280677 128.127842899 1.31075693222306e-05 FALSE "Nigericin" NA NA NA 643 NA "8" -0.327136371457191 200.36151887 2.04971256728809e-05 FALSE "Nigericin" NA NA NA 649 NA "8" 0.0943387745709055 318.911627299 3.26248859569277e-05 TRUE "Nigericin" NA NA NA 659 NA "8" -0.44098780723767 191.511249542 1.95917368353539e-05 FALSE "Nigericin" NA NA NA 662 NA "8" 0.545210082812083 564.714775576 5.77707225898213e-05 TRUE "Nigericin" NA NA NA 663 NA "8" 0.781327728555262 298.1920786 3.05052614104381e-05 TRUE "Nigericin" NA NA NA 665 NA "8" 0.175836851592496 7548.058466541 0.000772171741597377 TRUE "Nigericin" NA NA NA 666 NA "8" 0.677134729766668 281.057827949 2.87524154004613e-05 TRUE "Nigericin" NA NA NA 669 NA "8" 0.492874926182605 356.941339497 3.65153525226741e-05 TRUE "Nigericin" NA NA NA 673 NA "8" 0.468263078612871 302.894679066 3.09863407777965e-05 TRUE "Nigericin" NA NA NA 686 NA "8" 0.979254974248858 2607.612306107 0.000266760590785424 TRUE "Nigericin" NA NA NA 687 NA "8" 0.115882523363508 3219.00846012 0.00032930685154147 TRUE "Nigericin" NA NA NA 688 NA "8" -0.0312413984218769 432.271391383 4.4221670328409e-05 FALSE "Nigericin" NA NA NA 689 NA "8" 0.303565798366849 331.674744123 3.39305618721164e-05 TRUE "Nigericin" NA NA NA 690 NA "8" 0.917857589616908 218.260694507 2.2328224052159e-05 TRUE "Nigericin" NA NA NA 698 NA "8" 0.996559990627632 785.784382825 8.03863004103169e-05 TRUE "Nigericin" NA NA NA 701 NA "8" -0.762539621315271 315.705478664 3.22968946746288e-05 FALSE "Nigericin" NA NA NA 703 NA "8" 0.888427798130252 2052.161657913 0.000209937595005967 TRUE "Nigericin" NA NA NA 704 NA "8" 0.976064645824982 20306.616162854 0.00207738125478592 TRUE "Nigericin" NA NA NA 705 NA "8" 0.460902244572369 318.047350886 3.25364698660871e-05 TRUE "Nigericin" NA NA NA 706 NA "8" -0.0507438235593349 253.04758263 2.58869474120484e-05 FALSE "Nigericin" NA NA NA 711 NA "8" 0.582341602837042 280.26337147 2.86711419384535e-05 TRUE "Nigericin" NA NA NA 715 NA "8" 0.228528344235473 1563.55045611 0.000159952322060259 TRUE "Nigericin" NA NA NA 716 NA "8" 0.996781845725518 2603.190510313 0.000266308237935432 TRUE "Nigericin" NA NA NA 717 NA "8" 0.107960596669131 379.933180811 3.88674342174119e-05 TRUE "Nigericin" NA NA NA 729 NA "8" 0.999145606196272 21682.60615534 0.002218146008216 TRUE "Nigericin" NA NA NA 730 NA "8" 0.955282483269449 859696.24143705 0.0879475360369561 TRUE "Nigericin" NA NA NA 731 NA "8" 0.874035041277187 1660.164900783 0.000169836048363826 TRUE "Nigericin" NA NA NA 732 NA "8" -0.745052004293459 456.192295545 4.66687958122979e-05 FALSE "Nigericin" NA NA NA 738 NA "8" -0.369885793196866 289.26318264 2.95918290126186e-05 FALSE "Nigericin" NA NA NA 747 NA "8" 1 3244089.5208734 0.331872661868578 TRUE "Nigericin" NA NA NA 748 NA "8" -0.0779329807538978 9775103.20557247 1 FALSE "Nigericin" NA NA NA 749 NA "8" 0.660672365160515 19038.053184765 0.00194760636122103 TRUE "Omethoate" NA NA NA 88 NA "2" 0.837631756199775 429.379247656 0.00784836708858288 TRUE "Omethoate" 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0.00117436549618304 FALSE "Prochloraz" NA NA NA 316 NA "1" -0.414325790160877 2865.441486445 0.00994988765900984 FALSE "Prochloraz" NA NA NA 318 NA "1" -0.0146190767976322 199.611021524 0.000693124340196544 FALSE "Prochloraz" NA NA NA 330 NA "1" -0.100952287856643 276.492937091 0.000960087189209449 FALSE "Prochloraz" NA NA NA 332 NA "1" 0.0730849767291783 376.843055239 0.00130854044043243 TRUE "Prochloraz" NA NA NA 334 NA "1" 0.256923538184557 113.467085369 0.000394000281547365 TRUE "Prochloraz" NA NA NA 335 NA "1" -0.432559277132849 215.835879809 0.000749463134055284 FALSE "Prochloraz" NA NA NA 340 NA "1" 0.164051069587271 381.260290641 0.00132387873863925 TRUE "Prochloraz" NA NA NA 344 NA "1" 0.0951799660822054 1388.246995462 0.00482051429531782 TRUE "Prochloraz" NA NA NA 358 NA "1" -0.338701570029738 811.082062751 0.00281638115619756 FALSE "Prochloraz" NA NA NA 359 NA "1" 0.0947541243923221 228.147804732 0.000792214755552185 TRUE "Prochloraz" NA NA NA 376 NA "1" 1 10308.57720772 0.035795246780033 TRUE "Prochloraz" NA NA NA 377 NA "1" -0.0914354549210393 369.333282477 0.00128246369251066 FALSE "Prochloraz" NA NA NA 136 NA "7" 0.944908525655583 143.928166396 0.000949178809656671 TRUE "Prochloraz" NA NA NA 202 NA "7" 0.227219474826345 394.165222649 0.00259944447435434 TRUE "Prochloraz" NA NA NA 233 NA "7" -0.160181971496585 190.591785906 0.00125691648137069 FALSE "Prochloraz" NA NA NA 234 NA "7" -0.215390395430049 278.200731283 0.00183468076872653 FALSE "Prochloraz" NA NA NA 238 NA "7" 0.171437804200547 205.77438355 0.00135704281744572 TRUE "Prochloraz" NA NA NA 244 NA "7" -0.0722661579933315 872.686310784 0.0057551997945598 FALSE "Prochloraz" NA NA NA 266 NA "7" -0.248405378950945 4327.34904575 0.0285380417125085 FALSE "Prochloraz" NA NA NA 280 NA "7" -0.310554448197158 1298.919650077 0.00856612738265254 FALSE "Prochloraz" NA NA NA 293 NA "7" 0.749156351291992 200.444505207 0.00132189328620453 TRUE "Prochloraz" NA NA NA 294 NA "7" 0.368691768696427 1575.694126647 0.0103914022735398 TRUE "Prochloraz" NA NA NA 304 NA "7" -0.0471320285371403 809.598223213 0.00533914588820071 FALSE "Prochloraz" NA NA NA 308 NA "7" -0.181127485034532 151634.4074812 1 FALSE "Prochloraz" NA NA NA 310 NA "7" 0.972222645802573 105.641312124 0.000696684307201831 TRUE "Prochloraz" NA NA NA 315 NA "7" 0.245209450661914 440.677309527 0.00290618281725825 TRUE "Prochloraz" NA NA NA 316 NA "7" 0.0468248391732196 2305.138855487 0.0152019511519692 TRUE "Prochloraz" NA NA NA 334 NA "7" -0.117192670406485 201.20180177 0.00132688751261778 FALSE "Prochloraz" NA NA NA 344 NA "7" 0.0172168957967989 697.322455414 0.0045987086110417 TRUE "Prochloraz" NA NA NA 358 NA "7" -0.02670740410531 305.289077308 0.00201332324489645 FALSE "Prochloraz" NA NA NA 360 NA "7" 0.955423389695647 135.6890707 0.000894843544772799 TRUE "Prochloraz" NA NA NA 376 NA "7" 1 375.156909479 0.00247408827396587 TRUE "p-Toluenesulfonamide" NA NA NA 113 NA "5" -0.366092969375946 527.826451544 0.0576739280872289 FALSE "p-Toluenesulfonamide" NA NA NA 128 NA "5" 0.382005468968477 236.805536746 0.0258749925415739 TRUE "p-Toluenesulfonamide" NA NA NA 129 NA "5" 0.0354255654285688 209.208140355 0.0228595122635519 TRUE "p-Toluenesulfonamide" NA NA NA 130 NA "5" 0.343557987221976 354.06029941 0.038687049856979 TRUE "p-Toluenesulfonamide" NA NA NA 131 NA "5" 0.504235767820085 318.10253716 0.0347580588257077 TRUE "p-Toluenesulfonamide" NA NA NA 140 NA "5" 0.133841907512124 1235.91298662 0.135044305763544 TRUE "p-Toluenesulfonamide" NA NA NA 144 NA "5" -0.125957159650464 305.941217187 0.033429229829895 FALSE "p-Toluenesulfonamide" NA NA NA 155 NA "5" -0.357274519521877 9151.9074398 1 FALSE "p-Toluenesulfonamide" NA NA NA 157 NA "5" -0.0351539509074643 2257.3347168 0.246651829866991 FALSE "p-Toluenesulfonamide" NA NA NA 172 NA "5" 1 7086.8286743 0.774355370278403 TRUE "Rifaximin" NA NA NA 346 NA "8" 0.728429173484556 176.740460381 0.000392943004325989 TRUE "Rifaximin" NA NA NA 347 NA "8" 0.551480939860562 845.098484031 0.00187888804041035 TRUE "Rifaximin" NA NA NA 348 NA "8" 0.179348753684697 167.926384926 0.00037334687290154 TRUE "Rifaximin" NA NA NA 360 NA "8" 0.200163985279701 229.001089096 0.000509132859274702 TRUE "Rifaximin" NA NA NA 361 NA "8" 0.700514149024748 256.791428577 0.000570918482461169 TRUE "Rifaximin" NA NA NA 362 NA "8" 0.908194936508141 4488.974861598 0.00998023465966812 TRUE "Rifaximin" NA NA NA 388 NA "8" 0.63244225649038 458.896043769 0.00102025302934701 TRUE "Rifaximin" NA NA NA 456 NA "8" 0.766811495693977 248.79816724 0.000553147248204154 TRUE "Rifaximin" NA NA NA 494 NA "8" 0.51297218010457 561.101913887 0.00124748499183791 TRUE "Rifaximin" NA NA NA 512 NA "8" 0.562289965734367 950.848405878 0.00211399941167317 TRUE "Rifaximin" NA NA NA 570 NA "8" 0.338156532760222 482.596581437 0.00107294589014035 TRUE "Rifaximin" NA NA NA 622 NA "8" 0.186144048287016 595.90526104 0.0013248624738328 TRUE "Rifaximin" NA NA NA 624 NA "8" 0.823777819004196 345.76896097 0.000768740185656059 TRUE "Rifaximin" NA NA NA 640 NA "8" 0.305127871832912 242.34437657 0.000538798683706279 TRUE "Rifaximin" NA NA NA 658 NA "8" 0.600134887843284 633.800680162 0.00140911448838505 TRUE "Rifaximin" NA NA NA 672 NA "8" -0.108595525134696 256.3156743 0.000569860748909257 FALSE "Rifaximin" NA NA NA 676 NA "8" 0.851831244395334 3521.297128727 0.00782881899200492 TRUE "Rifaximin" NA NA NA 677 NA "8" 0.663026015501381 1354.23228747 0.00301083352644092 TRUE "Rifaximin" NA NA NA 690 NA "8" 0.538589896436938 329.921241745 0.000733506315660688 TRUE "Rifaximin" NA NA NA 691 NA "8" -0.143300097159239 199.258279815 0.000443006354846814 FALSE "Rifaximin" NA NA NA 694 NA "8" 0.976250294569171 13176.79045907 0.029295655444143 TRUE "Rifaximin" NA NA NA 695 NA "8" 0.485090629105654 2340.68678512 0.0052039951437745 TRUE "Rifaximin" NA NA NA 701 NA "8" 0.396844712081517 259.470815652 0.000576875502176593 TRUE "Rifaximin" NA NA NA 703 NA "8" 0.338525737242399 180.17039776 0.00040056870528574 TRUE "Rifaximin" NA NA NA 704 NA "8" 0.184179884919558 1021.845474262 0.00227184556240179 TRUE "Rifaximin" NA NA NA 708 NA "8" 0.161277644177134 765.49311641 0.00170190325579431 TRUE "Rifaximin" NA NA NA 709 NA "8" 0.603627393944018 566.135319689 0.00125867564729714 TRUE "Rifaximin" NA NA NA 718 NA "8" 0.886076915189961 1544.86607077 0.00343466523636434 TRUE "Rifaximin" NA NA NA 719 NA "8" 0.631861760218661 625.064932854 0.00138969250212996 TRUE "Rifaximin" NA NA NA 726 NA "8" 0.436210154679794 780.54448371 0.00173536661485384 TRUE "Rifaximin" NA NA NA 727 NA "8" 0.683818622475658 367.037548538 0.000816026147674741 TRUE "Rifaximin" NA NA NA 728 NA "8" 0.456657852307783 308.91019535 0.000686792939014015 TRUE "Rifaximin" NA NA NA 736 NA "8" 0.963587972826795 20359.23705387 0.0452642239161706 TRUE "Rifaximin" NA NA NA 737 NA "8" 0.475488850792648 10027.19182742 0.0222932251795978 TRUE "Rifaximin" NA NA NA 750 NA "8" 0.24587454682353 431.02099704 0.000958279078482518 TRUE "Rifaximin" NA NA NA 751 NA "8" 0.648035546708184 363.814557991 0.000808860546851238 TRUE "Rifaximin" NA NA NA 754 NA "8" 0.985440295816136 182701.2351504 0.406195457900849 TRUE "Rifaximin" NA NA NA 755 NA "8" 0.060221206927448 15844.77037246 0.0352273138792795 TRUE "Rifaximin" NA NA NA 768 NA "8" 0.894497716561007 4371.18513866 0.00971835547529683 TRUE "Rifaximin" NA NA NA 769 NA "8" 0.727989068923473 3834.252394655 0.00852460524348515 TRUE "Rifaximin" NA NA NA 786 NA "8" 1 449786.5044936 1 TRUE "Rifaximin" NA NA NA 787 NA "8" 0.502031583649476 1585.108786094 0.00352413594062504 TRUE "Spinosad A (Spinosyn A)" NA NA NA 650 NA "10" -0.319972463486621 301.336536892 0.000725005400459278 FALSE "Spinosad A (Spinosyn A)" NA NA NA 672 NA "10" -0.0751124332871545 147.356142516 0.000354533838534279 FALSE "Spinosad A (Spinosyn A)" NA NA NA 714 NA "10" 0.297354389109674 156.982562536 0.000377694675827935 TRUE "Spinosad A (Spinosyn A)" NA NA NA 732 NA "10" 1 391698.27023234 0.94241264002707 TRUE "Spinosad A (Spinosyn A)" NA NA NA 733 NA "10" -0.252914244331709 415633.506593342 1 FALSE "TCMTB" NA NA NA 81 NA "4" 0.37122794225711 225.766800173 0.00370523391040966 TRUE "TCMTB" NA NA NA 133 NA "4" 0.852030361970682 108.790925507 0.00178545218351194 TRUE "TCMTB" NA NA NA 139 NA "4" -0.433048450364907 146.048198231 0.00239691015784902 FALSE "TCMTB" NA NA NA 157 NA "4" -0.228697268192068 531.528373955 0.00872332404061995 FALSE "TCMTB" NA NA NA 167 NA "4" 0.150333851615877 212.684405793 0.00349052859833993 TRUE "TCMTB" NA NA NA 179 NA "4" -0.17837964882576 1037.96452143 0.0170348401078349 FALSE "TCMTB" NA NA NA 180 NA "4" 0.789611889046075 20869.9768059 0.342513362068421 TRUE "TCMTB" NA NA NA 193 NA "4" -0.166605827659421 150.142760278 0.00246410918858868 FALSE "TCMTB" NA NA NA 195 NA "4" -0.182545269304725 161.612817282 0.00265235318253724 FALSE "TCMTB" NA NA NA 197 NA "4" -0.242749284253616 110.914985894 0.00182031178451457 FALSE "TCMTB" NA NA NA 203 NA "4" -0.312531258837773 175.738325112 0.00288417783777161 FALSE "TCMTB" NA NA NA 206 NA "4" -0.0611854467140295 132.843214032 0.00218019292926153 FALSE "TCMTB" NA NA NA 207 NA "4" -0.101127912669245 1589.964396964 0.0260941378247854 FALSE "TCMTB" NA NA NA 209 NA "4" -0.156399927520568 1072.447051034 0.0176007596226065 FALSE "TCMTB" NA NA NA 211 NA "4" 0.17680025099723 170.462800996 0.0027975971233583 TRUE "TCMTB" NA NA NA 212 NA "4" 0.793502338978203 8421.26882924 0.138207968624554 TRUE "TCMTB" NA NA NA 221 NA "4" -0.0518016280736369 625.5821654935 0.010266913698373 FALSE "TCMTB" NA NA NA 223 NA "4" -0.122424017975061 256.69197036 0.00421277084309532 FALSE "TCMTB" NA NA NA 225 NA "4" 0.390061336386313 194.082402714 0.00318523671061755 TRUE "TCMTB" NA NA NA 239 NA "4" 1 60931.861694 1 TRUE "TCMTB" NA NA NA 81 NA "9" 0.199905171881859 504.416463383 0.00917134682541392 TRUE "TCMTB" NA NA NA 89 NA "9" -0.199107007659055 149.391085399 0.00271624254218471 FALSE "TCMTB" NA NA NA 99 NA "9" -0.0338812622433734 125.761179447 0.00228660140500962 FALSE "TCMTB" NA NA NA 109 NA "9" 0.126483758021084 210.522521964 0.00382773998006215 TRUE "TCMTB" NA NA NA 119 NA "9" -0.79394237724823 127.158565038 0.00231200879916552 FALSE "TCMTB" NA NA NA 121 NA "9" -0.821911171544641 157.729379176 0.00286785017142061 FALSE "TCMTB" NA NA NA 123 NA "9" 0.0805464330600702 205.188810103 0.00373076193732346 TRUE "TCMTB" NA NA NA 125 NA "9" 0.0321761514069641 122.26306915 0.00222299843980867 TRUE "TCMTB" NA NA NA 133 NA "9" -0.199696627444678 412.972375868 0.00750870196226088 FALSE "TCMTB" NA NA NA 135 NA "9" -0.00914152198049568 188.844723215 0.00343359223673672 FALSE "TCMTB" NA NA NA 139 NA "9" 0.0356119841376918 204.951471794 0.00372644663022147 TRUE "TCMTB" NA NA NA 147 NA "9" 0.368323214591474 192.940634707 0.00350806447859693 TRUE "TCMTB" NA NA NA 149 NA "9" 0.217409002829919 126.687723869 0.00230344792145027 TRUE "TCMTB" NA NA NA 151 NA "9" -0.491987609751591 238.69669676 0.00434000543397092 FALSE "TCMTB" NA NA NA 153 NA "9" -0.323263979793048 164.52813863 0.00299146584509828 FALSE "TCMTB" NA NA NA 157 NA "9" 0.0235401472310745 524.488719947 0.00953630245212462 TRUE "TCMTB" NA NA NA 161 NA "9" -0.208033920560992 241.425545684 0.00438962161768608 FALSE "TCMTB" NA NA NA 163 NA "9" -0.101839082838135 132.498260018 0.00240909562752766 FALSE "TCMTB" NA NA NA 165 NA "9" -0.139851929152631 231.5828352 0.00421066054463649 FALSE "TCMTB" NA NA NA 167 NA "9" -0.146067756874238 119.464797018 0.00217211999689992 FALSE "TCMTB" NA NA NA 175 NA "9" -0.304775982977829 383.484092949 0.00697254327282744 FALSE "TCMTB" NA NA NA 177 NA "9" 0.511849259901944 181.200629236 0.00329460661248235 TRUE "TCMTB" NA NA NA 179 NA "9" -0.183784064101631 1750.86946875 0.0318344707391953 FALSE "TCMTB" NA NA NA 180 NA "9" 0.0824682602917446 54999.170022145 1 TRUE "TCMTB" NA NA NA 181 NA "9" -0.186412259346711 596.373793601 0.010843323514898 FALSE "TCMTB" NA NA NA 183 NA "9" 0.22178450880952 494.953159792 0.0089992841636103 TRUE "TCMTB" NA NA NA 193 NA "9" 0.193475698040205 809.099626569 0.0147111242995707 TRUE "TCMTB" NA NA NA 195 NA "9" -0.404056320613755 725.98131943 0.0131998595458384 FALSE "TCMTB" NA NA NA 196 NA "9" 0.174130986610192 133.296440371 0.00242360821658453 TRUE "TCMTB" NA NA NA 197 NA "9" 0.106256782096321 523.726283058 0.00952243975403857 TRUE "TCMTB" NA NA NA 198 NA "9" -0.00716378372760408 208.4981954115 0.00379093348731535 FALSE "TCMTB" NA NA NA 203 NA "9" -0.144194753912229 459.324955954 0.00835148886372388 FALSE "TCMTB" NA NA NA 206 NA "9" 0.325500568016324 152.820631021 0.00277859885811855 TRUE "TCMTB" NA NA NA 207 NA "9" -0.425345150875628 3160.93913257 0.0574724878811311 FALSE "TCMTB" NA NA NA 209 NA "9" 0.212622900608598 3198.85811233 0.0581619342808629 TRUE "TCMTB" NA NA NA 211 NA "9" -0.529929003540618 578.71673209 0.0105222811881886 FALSE "TCMTB" NA NA NA 212 NA "9" -0.0150310618117631 20718.67312981 0.376708832541796 FALSE "TCMTB" NA NA NA 219 NA "9" 0.0614914753429088 123.263058663 0.00224118034169187 TRUE "TCMTB" NA NA NA 221 NA "9" 0.209076519592657 2733.66568752 0.0497037625553133 TRUE "TCMTB" NA NA NA 223 NA "9" 0.0847402042583731 543.135544781 0.0098753407471842 TRUE "TCMTB" NA NA NA 225 NA "9" 0.382588834038783 381.507453195 0.00693660382586481 TRUE "TCMTB" NA NA NA 239 NA "9" 1 27067.5244917 0.492144235645765 TRUE "Trichlorfon (Dylox)" NA NA NA 79 NA "4" 0.0521595798449914 279.873629576 0.00690652095555926 TRUE "Trichlorfon (Dylox)" NA NA NA 109 NA "4" 0.922563790701349 9640.82224867 0.237909305675332 TRUE "Trichlorfon (Dylox)" NA NA NA 125 NA "4" -0.441808918074544 178.089407913 0.00439476284199285 FALSE "Trichlorfon (Dylox)" NA NA NA 127 NA "4" 0.769422232032552 1076.07612804 0.0265546358881489 TRUE "Trichlorfon (Dylox)" NA NA NA 140 NA "4" 0.348604833045235 1970.98268515 0.0486384988777101 TRUE "Trichlorfon (Dylox)" NA NA NA 145 NA "4" 0.820960207936605 4235.84716059 0.104529202066952 TRUE "Trichlorfon (Dylox)" NA NA NA 185 NA "4" 0.31275352450403 348.909767164 0.00861014530796692 TRUE "Trichlorfon (Dylox)" NA NA NA 187 NA "4" -0.260474354038597 107.324927324 0.00264848767902871 FALSE "Trichlorfon (Dylox)" NA NA NA 197 NA "4" -0.0360245652498858 2081.96281053 0.0513771869161251 FALSE "Trichlorfon (Dylox)" NA NA NA 199 NA "4" 0.34691746641912 144.142693995 0.00355705015215411 TRUE "Trichlorfon (Dylox)" NA NA NA 201 NA "4" 0.095844899247823 127.383673675 0.00314348305328139 TRUE "Trichlorfon (Dylox)" NA NA NA 211 NA "4" 0.589929547507267 156.726169586 0.00386757614917167 TRUE "Trichlorfon (Dylox)" NA NA NA 213 NA "4" 0.214402092378455 334.711538323 0.00825977158690306 TRUE "Trichlorfon (Dylox)" NA NA NA 215 NA "4" 0.177739314274526 412.352368363 0.0101757363760497 TRUE "Trichlorfon (Dylox)" NA NA NA 221 NA "4" 0.950607639404665 40523.0985871 1 TRUE "Trichlorfon (Dylox)" NA NA NA 225 NA "4" -0.377401610724356 503.974612244 0.012436724480996 FALSE "Trichlorfon (Dylox)" NA NA NA 227 NA "4" 0.163495046198974 177.141063216 0.00437136027086513 TRUE "Trichlorfon (Dylox)" NA NA NA 229 NA "4" 0.602334206324447 1013.548554406 0.0250116252148756 TRUE "Trichlorfon (Dylox)" NA NA NA 239 NA "4" -0.216616311827602 1313.5219316555 0.0324141533459547 FALSE "Trichlorfon (Dylox)" NA NA NA 257 NA "4" 1 25290.7478033 0.624106958379313 TRUE