Mercurial > repos > workflow4metabolomics > ms2snoop
diff test-data/compound_fragments_result.txt @ 6:77abacd33c31 draft
planemo upload commit 1f791337b9b8f08326c01bf4799f50493ef54f80
| author | workflow4metabolomics |
|---|---|
| date | Fri, 30 Sep 2022 16:18:56 +0000 |
| parents | 78d5a12406c2 |
| children |
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--- a/test-data/compound_fragments_result.txt Fri Aug 05 17:25:45 2022 +0000 +++ b/test-data/compound_fragments_result.txt Fri Sep 30 16:18:56 2022 +0000 @@ -1,743 +1,743 @@ "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" -0.116561248444136 164.247659203 0.0015321896475765 FALSE -"Acetochlor" NA NA NA 109 NA "1" -0.378222721795233 71.653102161 0.00066841830124432 FALSE -"Acetochlor" NA NA NA 131 NA "1" -0.138102380187011 668.788094532 0.00623881155954778 FALSE -"Acetochlor" NA NA NA 133 NA "1" -0.271231157310156 164.479385851 0.00153435131717262 FALSE -"Acetochlor" NA NA NA 146 NA "1" 0.425554853536635 292.081740854 0.00272469404893927 TRUE -"Acetochlor" NA NA NA 148 NA "1" 0.0578513509605613 6853.478112981 0.0639328941767335 TRUE -"Acetochlor" NA NA NA 149 NA "1" 0.301743295670748 176.969023715 0.00165086131147061 TRUE -"Acetochlor" NA NA NA 158 NA "1" 0.97190874911017 424.736170283 0.00396216522181653 TRUE -"Acetochlor" NA NA NA 170 NA "1" -0.13939212527027 148.949374199 0.00138947909679882 FALSE -"Acetochlor" NA NA NA 181 NA "1" 0.141259460310622 150.438060279 0.00140336635346559 TRUE -"Acetochlor" NA NA NA 182 NA "1" -0.0210426315627036 162.282338626 0.00151385609045391 FALSE -"Acetochlor" NA NA NA 187 NA "1" -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" -0.274380798967957 244.831272599 0.00228391651424104 FALSE -"Acetochlor" NA NA NA 214 NA "1" -0.258732686623694 176.2052269075 0.00164373620803241 FALSE -"Acetochlor" NA NA NA 216 NA "1" -0.418583624117481 94.821614269 0.000884546522333634 FALSE -"Acetochlor" NA NA NA 224 NA "1" -0.0120963321458483 107197.9956677 1 FALSE -"Acetochlor" NA NA NA 226 NA "1" -0.257432677982489 399.374764942 0.00372558052465841 FALSE -"Acetochlor" NA NA NA 228 NA "1" 0.263942241843786 184.647782791 0.00172249286603627 TRUE -"Acetochlor" NA NA NA 229 NA "1" -0.00925902828729661 307.596475608 0.00286942375827165 FALSE -"Acetochlor" NA NA NA 234 NA "1" 0.145449046631585 301.330885896 0.00281097500022376 TRUE -"Acetochlor" NA NA NA 236 NA "1" 0.115607205627716 138.344456677 0.00129055077770157 TRUE -"Acetochlor" NA NA NA 238 NA "1" -0.149430685867243 2391.6560440125 0.0223106414361172 FALSE -"Acetochlor" NA NA NA 240 NA "1" 0.156192678570762 600.865685468 0.00560519515057545 TRUE -"Acetochlor" NA NA NA 241 NA "1" 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 -"Benzophenone-3 (Oxybenzone)" NA NA NA 99 NA "3" 0.214978774915306 758.42315006 0.00124089132480787 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 103 NA "3" -0.175614809818246 205.276515963 0.000335862437512779 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA NA 105 NA "3" 0.987595651529689 30618.35601838 0.0500961137065514 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 109 NA "3" -0.0331819338939282 119.257135388 0.000195122135595017 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA NA 125 NA "3" 0.221534949124524 125.521258344 0.000205371157968629 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 131 NA "3" -0.0769400909861422 114.41145277 0.000187193889308003 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA NA 133 NA "3" 0.572601862795851 129.429865364 0.000211766211367009 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 145 NA "3" 0.718567048619817 288.210931778 0.00047155528537047 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 147 NA "3" 0.57814551993529 376.0975962 0.000615350737076991 TRUE -"Benzophenone-3 (Oxybenzone)" 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" -0.310670506555032 259.803405295 0.000425076412502183 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA NA 179 NA "3" 0.442667912965062 428.589997766 0.000701235992183494 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 183 NA "3" 0.203058950554087 944.86580463 0.00154593880735342 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 185 NA "3" 0.086056322407198 684.03097247 0.0011191748294745 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 187 NA "3" 0.188752374223928 691.000221263 0.00113057754096475 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 188 NA "3" 0.532318575773762 155.360950946 0.000254193264311013 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 193 NA "3" 0.532333874252887 550.277831083 0.000900335105502736 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 194 NA "3" 0.404771811623703 213.046855456 0.00034857585068709 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 197 NA "3" -0.376007038146267 9309.2124023 0.0152312345817688 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA NA 199 NA "3" 0.693343211910461 425.048076161 0.00069544088981558 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 201 NA "3" 0.131155119793369 874.082128059 0.00143012634805809 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 211 NA "3" 0.135597286354562 4465.9266051 0.0073069098445358 TRUE -"Benzophenone-3 (Oxybenzone)" NA NA NA 212 NA "3" -0.168353630773146 322.224400034 0.000527206299823496 FALSE -"Benzophenone-3 (Oxybenzone)" NA NA NA 229 NA "3" 1 611192.241333 1 TRUE -"Carbendazim" NA NA NA 160 NA "3" 0.994444263956995 200635.423844 0.331299115613893 TRUE -"Carbendazim" NA NA NA 174 NA "3" -0.327599422633271 174354.292947145 0.28790241498823 FALSE -"Carbendazim" NA NA NA 192 NA "3" 1 605602.0508 1 TRUE 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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 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154.957 NA "6" 1 74403.5832217 1 TRUE +"Chlorfenvinphos" NA NA NA 169.937 NA "6" 0.400965038923134 251.752763748 0.00338361074624395 TRUE +"Chlorfenvinphos" NA NA NA 177.012 NA "6" 0.152941035271053 308.496086376 0.00414625308376313 TRUE +"Chlorfenvinphos" NA NA NA 180.942 NA "6" -0.0396586829705516 354.258750916 0.00476131303865322 FALSE +"Chlorfenvinphos" NA NA NA 184.93 NA "6" 0.21416204967555 620.034171576 0.00833339127940232 TRUE +"Chlorfenvinphos" NA NA NA 186.967 NA "6" 0.0344669511741455 255.646638389 0.00343594525047605 TRUE +"Chlorfenvinphos" NA NA NA 194.987 NA "6" 0.0600010541304002 215.919657704 0.00290200617167355 TRUE +"Chlorfenvinphos" NA NA NA 204.959 NA "6" 0.974358430327003 4144.892359716 0.0557082358166203 TRUE +"Chlorfenvinphos" NA NA NA 215.074 NA "6" -0.450618424806283 111.581706056 0.00149968188660377 FALSE +"Chlorfenvinphos" NA NA NA 216.952 NA "6" -0.105278812587947 184.536623947 0.00248021151611929 FALSE +"Chlorfenvinphos" NA NA NA 227.058 NA "6" 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315.15 NA "6" -0.535392132745364 228.835577496 0.00307559888364704 FALSE +"Chlorfenvinphos" NA NA NA 317.058 NA "6" 0.108398080800289 371.096517574 0.00498761620751847 TRUE +"Chlorfenvinphos" NA NA NA 327.106 NA "6" -0.0292180991930868 857.215583061 0.0115211599487992 FALSE +"Chlorfenvinphos" NA NA NA 331.034 NA "6" 0.935671136523579 10942.34945269 0.147067506414108 TRUE +"Chlorfenvinphos" NA NA NA 341.156 NA "6" 0.3027544679085 681.509114277 0.0091596275981267 TRUE +"Chlorfenvinphos" NA NA NA 359.083 NA "6" 0.963091521050382 70775.23458992 0.951234221865785 TRUE +"Chlorfenvinphos" NA NA NA 359.907 NA "6" 0.316260785934268 336.06626725 0.0045168021847634 TRUE +"Chlormequat" NA NA NA 103.875 NA "3" 0.258848039085982 1344.00603488 0.0035075545862099 TRUE +"Chlormequat" NA NA NA 121.939 NA "3" 1 383174.65968 1 TRUE +"Chlormequat" NA NA NA 103.891 NA "7" -0.238480528781348 249.84195518 0.00659545474896182 FALSE +"Chlormequat" NA NA NA 121.989 NA "7" 1 37880.9293202 1 TRUE 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TRUE +"Dichlorvos" NA NA NA 76.87 NA "8" 0.673126587009387 741.86317154 0.00161896017936163 TRUE +"Dichlorvos" NA NA NA 78.905 NA "8" 0.878900088282318 1378.256703748 0.00300775507655178 TRUE +"Dichlorvos" NA NA NA 94.966 NA "8" 0.23830151975066 167.451852342 0.000365428412276191 TRUE +"Dichlorvos" NA NA NA 98.879 NA "8" 0.0952811367061809 779.789044359 0.00170172541184249 TRUE +"Dichlorvos" NA NA NA 104.915 NA "8" 0.421334905224525 170.538307904 0.000372163951715189 TRUE +"Dichlorvos" NA NA NA 106.991 NA "8" 0.259129043686515 193.227040286 0.000421677333233239 TRUE +"Dichlorvos" NA NA NA 108.907 NA "8" 0.967088540122942 63244.728942055 0.138018305315196 TRUE +"Dichlorvos" NA NA NA 111.003 NA "8" 0.669971084873578 362.689319128 0.000791493078068717 TRUE +"Dichlorvos" NA NA NA 116.962 NA "8" 0.427724412537125 150.021759756 0.000327390904954265 TRUE +"Dichlorvos" NA NA NA 119.018 NA "8" 0.352320220252662 842.015996927 0.00183752263450484 TRUE +"Dichlorvos" NA NA NA 121.012 NA "8" 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0.00178751936557185 FALSE +"Dichlorvos" NA NA NA 148.978 NA "8" 0.291827272614207 273.867382537 0.000597657902107486 TRUE +"Dichlorvos" NA NA NA 151.105 NA "8" -0.0612144593206886 544.88402842 0.00118909467166422 FALSE +"Dichlorvos" NA NA NA 153.072 NA "8" 0.459453598609755 595.225358962 0.00129895402666414 TRUE +"Dichlorvos" NA NA NA 157.075 NA "8" -0.0788899965991259 259.340542296 0.000565956131775221 FALSE +"Dichlorvos" NA NA NA 158.986 NA "8" 0.0596826580176188 1143.682675356 0.00249584664700842 TRUE +"Dichlorvos" NA NA NA 160.95 NA "8" 0.106726535917086 9549.15720075 0.0208390251026838 TRUE +"Dichlorvos" NA NA NA 163.019 NA "8" 0.0347987341572495 754.856181158 0.00164731468729325 TRUE +"Dichlorvos" NA NA NA 165.051 NA "8" -0.380495498071025 1334.653779975 0.00291260087561511 FALSE +"Dichlorvos" NA NA NA 175.091 NA "8" 0.149156761794573 7231.4122008 0.015781034620363 TRUE +"Dichlorvos" NA NA NA 176.036 NA "8" -0.107338339253918 284.52136421 0.00062090797401014 FALSE +"Dichlorvos" NA NA NA 177.061 NA "8" 0.0961702542234717 389.493910798 0.000849988455926194 TRUE +"Dichlorvos" NA NA NA 177.991 NA "8" 0.493220332481887 482.049106835 0.00105197068462459 TRUE +"Dichlorvos" NA NA NA 179.031 NA "8" -0.0861608852458405 2525.723908887 0.00551186066301337 FALSE +"Dichlorvos" NA NA NA 185.101 NA "8" 0.0918293472268129 668.89163876 0.00145971517255995 TRUE +"Dichlorvos" NA NA NA 188.967 NA "8" -0.197479261216347 5542.6118852 0.0120955834930694 FALSE +"Dichlorvos" NA NA NA 190.968 NA "8" 0.387244221989 1667.67687608 0.00363935366788881 TRUE +"Dichlorvos" NA NA NA 192.082 NA "8" 0.819756995871118 124.725039958 0.000272186139988758 TRUE +"Dichlorvos" NA NA NA 193.079 NA "8" -0.217736800465349 3528.26782225 0.00769970167745111 FALSE +"Dichlorvos" NA NA NA 203.05 NA "8" -0.00105621012897679 9102.7295684 0.0198647907863461 TRUE +"Dichlorvos" NA NA NA 204.09 NA "8" 0.224749665606753 212.49892521 0.000463734164560272 TRUE +"Dichlorvos" NA NA NA 206.076 NA "8" 0.0812819184416861 745.68288134 0.00162729589179507 TRUE +"Dichlorvos" NA NA NA 219.064 NA "8" 0.850573767933108 128.129454139 0.000279615557170436 TRUE +"Dichlorvos" NA NA NA 220.928 NA "8" 1 458234.353752 1 TRUE +"Dichlorvos" NA NA NA 221.982 NA "8" 0.129303934081555 360.408204103 0.000786515024794618 TRUE +"Fluopyram" NA NA NA 129.966 NA "2" 0.988179415765439 17795.909718935 0.0154226372206749 TRUE +"Fluopyram" NA NA NA 144.998 NA "2" 0.928241190042729 3449.545446807 0.00298951213186528 TRUE +"Fluopyram" NA NA NA 149.953 NA "2" 0.988115406284376 12058.53886978 0.0104504053648994 TRUE +"Fluopyram" NA NA NA 151.993 NA "2" 0.714803770971941 843.962879701 0.000731411516855211 TRUE +"Fluopyram" NA NA NA 169.972 NA "2" 0.996118661695746 54335.19384732 0.0470890219301705 TRUE +"Fluopyram" NA NA NA 172.063 NA "2" 0.93623116209915 4358.1586747 0.00377695219022824 TRUE +"Fluopyram" NA NA NA 172.99 NA "2" 0.996725515129425 33891.795142293 0.0293719663390324 TRUE +"Fluopyram" NA NA NA 190.021 NA "2" 0.994751234429169 52936.742621562 0.0458770689439894 TRUE +"Fluopyram" NA NA NA 207.984 NA "2" 0.998926992897114 741312.313808205 0.642450487985915 TRUE +"Fluopyram" NA NA NA 208.978 NA "2" 0.479662731083597 434.75375842 0.000376774753431255 TRUE +"Fluopyram" NA NA NA 223.061 NA "2" 0.919762443227137 180.747808449 0.000156643179369186 TRUE +"Fluopyram" NA NA NA 233.132 NA "2" 0.447788622500763 228.889230719 0.000198364434572427 TRUE +"Fluopyram" NA NA NA 239.159 NA "2" 0.490523688542752 454.236178877 0.000393658987372342 TRUE +"Fluopyram" NA NA NA 251.124 NA "2" 0.399282659683872 207.703212752 0.000180003795840478 TRUE +"Fluopyram" NA NA NA 253.207 NA "2" 0.291997563579388 381.209336282 0.000330371045451865 TRUE +"Fluopyram" NA NA NA 277.084 NA "2" 0.472534154830253 407.468348983 0.000353128141495666 TRUE +"Fluopyram" NA NA NA 293.082 NA "2" 0.439013773646497 230.165272235 0.000199470302476379 TRUE +"Fluopyram" NA NA NA 295.154 NA "2" 0.556087836877115 396.002507198 0.000343191390799996 TRUE +"Fluopyram" NA NA NA 297.093 NA "2" 0.269891270141561 261.36091041 0.000226505672853008 TRUE +"Fluopyram" NA NA NA 305.245 NA "2" 0.13304535194746 151.392195691 0.000131202447588246 TRUE +"Fluopyram" NA NA NA 307.132 NA "2" 0.658489317811748 176.850197312 0.000153265355838801 TRUE +"Fluopyram" NA NA NA 309.193 NA "2" 0.620367265623824 877.951049335 0.0007608670051297 TRUE +"Fluopyram" NA NA NA 312.079 NA "2" -0.101202655215579 313.370437142 0.000271579179938356 FALSE +"Fluopyram" NA NA NA 315.092 NA "2" -0.0918425876545814 1665.552336677 0.00144343334318478 FALSE +"Fluopyram" NA NA NA 317.175 NA "2" 0.747044352703202 276.576972023 0.000239692511957673 TRUE +"Fluopyram" NA NA NA 319.208 NA "2" 0.411135022271651 205.162689204 0.000177802077937308 TRUE +"Fluopyram" NA NA NA 321.075 NA "2" 0.668663039963109 172.5105753 0.000149504468251542 TRUE +"Fluopyram" NA NA NA 322.207 NA "2" 0.457450301072192 363.92931174 0.000315395494671673 TRUE +"Fluopyram" NA NA NA 323.148 NA "2" 0.525525654158042 541.443225855 0.000469236053668481 TRUE +"Fluopyram" NA NA NA 325.172 NA "2" -0.375139543472427 284.063552627 0.000246180677974607 FALSE +"Fluopyram" NA NA NA 335.143 NA "2" 0.85099649332553 354.179540117 0.000306945958059 TRUE +"Fluopyram" NA NA NA 337.149 NA "2" -0.0800505936255548 6092.33305747 0.00527985610496276 FALSE +"Fluopyram" NA NA NA 339.165 NA "2" 0.0817418256376614 1257.39245224 0.001089705889791 TRUE +"Fluopyram" NA NA NA 351.264 NA "2" 0.0922108519959764 325.871292118 0.000282412913885544 TRUE +"Fluopyram" NA NA NA 353.206 NA "2" 0.73819712073071 219.68107702 0.000190384285413725 TRUE +"Fluopyram" NA NA NA 355.042 NA "2" 0.558938657015514 404.386810763 0.0003504575589405 TRUE +"Fluopyram" NA NA NA 357.092 NA "2" 0.962259996620823 6087.032030074 0.00527526202555257 TRUE +"Fluopyram" NA NA NA 361.224 NA "2" 0.552153478272702 857.635546693 0.000743260789310912 TRUE +"Fluopyram" NA NA NA 365.223 NA "2" -0.00936270431495669 3128.58431621 0.00271135455760717 FALSE +"Fluopyram" NA NA NA 377.099 NA "2" 0.95522089194523 6353.409628619 0.00550611535819805 TRUE +"Fluopyram" NA NA NA 379.135 NA "2" 0.976200924337964 23757.38885012 0.0205890901523317 TRUE +"Fluopyram" NA NA NA 380.163 NA "2" 0.802086185702225 299.634428489 0.000259675013101082 TRUE +"Fluopyram" NA NA NA 383.011 NA "2" 0.514484227137365 296.36061955 0.000256837801157807 TRUE +"Fluopyram" NA NA NA 397.143 NA "2" 1 1153882.4044359 1 TRUE +"Fluopyram" NA NA NA 397.852 NA "2" 0.629183355208795 786.96763037 0.000682017185932154 TRUE +"Hydroxy-tebuconazole" NA NA NA 104.943 NA "3" 0.933250800122397 148.864868642 0.000349259198550838 TRUE +"Hydroxy-tebuconazole" NA NA NA 111.016 NA "3" -0.136986211620653 819.476129504 0.00192261329911496 FALSE +"Hydroxy-tebuconazole" NA NA NA 124.953 NA "3" 0.937808762193969 1183.686924417 0.00277710617910255 TRUE +"Hydroxy-tebuconazole" NA NA NA 128.989 NA "3" 0.93947878913899 361.506768723 0.000848148830994743 TRUE +"Hydroxy-tebuconazole" NA NA NA 130.031 NA "3" 0.688489556152789 331.007312771 0.000776592555567199 TRUE +"Hydroxy-tebuconazole" NA NA NA 138.998 NA "3" 0.773254709339752 1538.894389073 0.00361047590264274 TRUE +"Hydroxy-tebuconazole" NA NA NA 142.055 NA "3" 0.570848007480712 609.52418229 0.00143003469754783 TRUE +"Hydroxy-tebuconazole" NA NA NA 143.052 NA "3" 0.806393964441417 697.26483626 0.00163588736624957 TRUE +"Hydroxy-tebuconazole" NA NA NA 144.028 NA "3" 0.617078750669289 821.504440261 0.00192737201885766 TRUE +"Hydroxy-tebuconazole" NA NA NA 150.967 NA "3" 0.969913176100367 8918.60934376 0.020924388541131 TRUE +"Hydroxy-tebuconazole" NA NA NA 163.01 NA "3" 0.943479253411026 4190.003754782 0.00983037412836093 TRUE +"Hydroxy-tebuconazole" NA NA NA 165.016 NA "3" 0.974027692942281 11141.070391724 0.0261386138415883 TRUE +"Hydroxy-tebuconazole" NA NA NA 177.025 NA "3" 0.976181868104272 5276.840125508 0.0123802544544473 TRUE +"Hydroxy-tebuconazole" NA NA NA 179.05 NA "3" 0.985734009124796 18898.49200271 0.0443386826650093 TRUE +"Hydroxy-tebuconazole" NA NA NA 181.003 NA "3" 0.815011717512525 2102.659529777 0.00493315305951243 TRUE +"Hydroxy-tebuconazole" NA NA NA 183.071 NA "3" 0.629817289150805 328.86962314 0.000771577216662296 TRUE +"Hydroxy-tebuconazole" NA NA NA 191.055 NA "3" 0.627994719460226 789.382863066 0.00185201000490732 TRUE +"Hydroxy-tebuconazole" NA NA NA 193.087 NA "3" 0.834581905027916 786.770006146 0.00184587985262806 TRUE +"Hydroxy-tebuconazole" NA NA NA 207.094 NA "3" 0.912806973260801 1817.33848199 0.00426374729985384 TRUE +"Hydroxy-tebuconazole" NA NA NA 213.136 NA "3" 0.533276651096227 209.824030864 0.000492278490719679 TRUE +"Hydroxy-tebuconazole" NA NA NA 219.028 NA "3" 0.973387546070147 5785.704654759 0.0135741265834354 TRUE +"Hydroxy-tebuconazole" NA NA NA 225.246 NA "3" 0.158710766132164 598.46658039 0.00140409191324474 TRUE +"Hydroxy-tebuconazole" NA NA NA 233.996 NA "3" 0.533892369953371 498.037124195 0.00116846942083577 TRUE +"Hydroxy-tebuconazole" NA NA NA 236.081 NA "3" 0.757916887845443 401.455109619 0.000941873600660352 TRUE +"Hydroxy-tebuconazole" NA NA NA 237.098 NA "3" 0.819617372910582 1804.698136231 0.00423409116224753 TRUE +"Hydroxy-tebuconazole" NA NA NA 241.966 NA "3" 0.0281666681525705 492.2943644595 0.00115499604944205 TRUE +"Hydroxy-tebuconazole" NA NA NA 249.215 NA "3" 0.148844380563395 668.821608301 0.00156915530856678 TRUE +"Hydroxy-tebuconazole" NA NA NA 251.196 NA "3" -0.0957358039667109 294.37336396 0.000690643844375629 FALSE +"Hydroxy-tebuconazole" NA NA NA 252.021 NA "3" 0.571270701114537 262.84086132 0.000616663887245291 TRUE +"Hydroxy-tebuconazole" NA NA NA 260.974 NA "3" 0.307249106849353 301.249457372 0.000706776185714076 TRUE +"Hydroxy-tebuconazole" NA NA NA 262.007 NA "3" -0.0664296147654578 356.3203392 0.000835980693306733 FALSE +"Hydroxy-tebuconazole" NA NA NA 264.108 NA "3" -0.234448577231542 1060.76663015 0.00248871682402531 FALSE +"Hydroxy-tebuconazole" NA NA NA 266.097 NA "3" 0.442854013871549 224.958957681 0.000527787287781417 TRUE +"Hydroxy-tebuconazole" NA NA NA 268.218 NA "3" 0.333877814717464 167.482578998 0.00039293912556858 TRUE +"Hydroxy-tebuconazole" NA NA NA 276.183 NA "3" 0.814390714374443 472.387895585 0.00110829250260451 TRUE +"Hydroxy-tebuconazole" NA NA NA 278.186 NA "3" 0.275231308762053 379.986748698 0.000891505621983662 TRUE +"Hydroxy-tebuconazole" NA NA NA 280.045 NA "3" 0.650641022624376 416.402436187 0.000976942259540319 TRUE +"Hydroxy-tebuconazole" NA NA NA 282.042 NA "3" 0.782140125615591 155.801819332 0.000365534320145864 TRUE +"Hydroxy-tebuconazole" NA NA NA 288.14 NA "3" 0.702501554923525 901.789572159 0.00211573292011017 TRUE +"Hydroxy-tebuconazole" NA NA NA 292.107 NA "3" -0.282700274468723 1574.001168335 0.00369284164615631 FALSE +"Hydroxy-tebuconazole" NA NA NA 296.201 NA "3" -0.00403563274731662 354.472442154 0.000831645251055126 TRUE +"Hydroxy-tebuconazole" NA NA NA 306.19 NA "3" 0.939487898745732 6832.34144213 0.0160296926875516 TRUE +"Hydroxy-tebuconazole" NA NA NA 307.097 NA "3" 0.647420935806109 170.978830823 0.000401141854133558 TRUE +"Hydroxy-tebuconazole" NA NA NA 324.177 NA "3" 1 426230.3448547 1 TRUE +"Hydroxy-tebuconazole" NA NA NA 325.033 NA "3" 0.526687588803207 740.769098256 0.0017379548575044 TRUE +"Isoproturon" NA NA NA 71.89 NA "2" 0.993086605464471 59907.1442268 0.115787147683237 TRUE +"Isoproturon" NA NA NA 119.978 NA "2" 0.927282017838371 790.062006494 0.00152701363761405 TRUE +"Isoproturon" NA NA NA 133.985 NA "2" 0.71269989274101 432.2311039 0.000835406315999436 TRUE +"Isoproturon" NA NA NA 137.024 NA "2" 0.213034502535958 770.65881154 0.00148951158959186 TRUE +"Isoproturon" NA NA NA 146.925 NA "2" -0.543816345969317 1151.6802063 0.00222594095999428 FALSE +"Isoproturon" NA NA NA 149.063 NA "2" 0.500520723996853 390.29506684 0.000754353310068573 TRUE +"Isoproturon" NA NA NA 161.063 NA "2" 0.400505614578046 614.84665681 0.00118836144792821 TRUE +"Isoproturon" NA NA NA 162.055 NA "2" 0.804730923860733 2048.22309885 0.00395875840011529 TRUE +"Isoproturon" NA NA NA 165.029 NA "2" 0.985177338187729 41795.7801207 0.0807819205510825 TRUE +"Isoproturon" NA NA NA 173.91 NA "2" -0.672244697055266 2538.22496785 0.00490582271945875 FALSE +"Isoproturon" NA NA NA 174.904 NA "2" -0.891117335203028 41310.6113296 0.0798441974933163 FALSE +"Isoproturon" NA NA NA 179.091 NA "2" 0.106337033555785 305.46005153 0.000590386147667693 TRUE +"Isoproturon" NA NA NA 189.09 NA "2" -0.557815616548336 2256.78026215 0.00436185287873026 FALSE +"Isoproturon" NA NA NA 192.871 NA "2" -0.457037805653279 900.73918538 0.00174092793819098 FALSE +"Isoproturon" NA NA NA 207.103 NA "2" 1 517390.275393 1 TRUE +"Malathion dicarboxilic acid" NA NA NA 98.901 NA "5" -0.0145062980310714 146.313006405 0.00728513388971739 FALSE +"Malathion dicarboxilic acid" NA NA NA 101.001 NA "5" -0.0828141093237674 435.762945656 0.0216972604232751 FALSE +"Malathion dicarboxilic acid" NA NA NA 104.913 NA "5" 0.587019603923614 89.451040273 0.00445389525494049 TRUE +"Malathion dicarboxilic acid" NA NA NA 110.87 NA "5" -0.390287162095832 129.625732421 0.00645425064690212 FALSE +"Malathion dicarboxilic acid" NA NA NA 112.962 NA "5" 0.436063164175773 214.697242755 0.0106900828412605 TRUE +"Malathion dicarboxilic acid" NA NA NA 114.854 NA "5" -0.487491202047035 169.733005041 0.00845124912412097 FALSE +"Malathion dicarboxilic acid" NA NA NA 124.899 NA "5" 0.211743045350572 976.859200016 0.0486392169662613 TRUE +"Malathion dicarboxilic acid" NA NA NA 126.97 NA "5" -0.193115673489529 251.457530026 0.0125204301300888 FALSE +"Malathion dicarboxilic acid" NA NA NA 132.921 NA "5" -0.0235937319440911 106.381536014 0.00529688885696561 FALSE +"Malathion dicarboxilic acid" NA NA NA 134.959 NA "5" 0.0943867349562522 265.367501262 0.0132130274961485 TRUE +"Malathion dicarboxilic acid" NA NA NA 142.949 NA "5" 0.324562260639024 2027.15360119 0.100934877647263 TRUE +"Malathion dicarboxilic acid" NA NA NA 144.918 NA "5" 0.0513679474641989 340.208190446 0.0169394524702548 TRUE +"Malathion dicarboxilic acid" NA NA NA 154.962 NA "5" -0.0935008127275434 89.39838505 0.00445127347606401 FALSE +"Malathion dicarboxilic acid" NA NA NA 156.946 NA "5" -0.124840593853139 283.279369826 0.014104885054885 FALSE +"Malathion dicarboxilic acid" NA NA NA 158.921 NA "5" 0.615282973488168 11570.4075283 0.576107142306516 TRUE +"Malathion dicarboxilic acid" NA NA NA 170.98 NA "5" -0.157617624578159 343.725625045 0.0171145905706306 FALSE +"Malathion dicarboxilic acid" NA NA NA 173.045 NA "5" 0.13521369536174 276.705667733 0.0137775710239911 TRUE +"Malathion dicarboxilic acid" NA NA NA 173.932 NA "5" 0.0546754802243834 145.849533325 0.00726205690206577 TRUE +"Malathion dicarboxilic acid" NA NA NA 174.978 NA "5" -0.0449871685056207 1172.409335654 0.0583759379542223 FALSE +"Malathion dicarboxilic acid" NA NA NA 177.077 NA "5" 0.124276700228139 180.05658699 0.00896527503724966 TRUE +"Malathion dicarboxilic acid" NA NA NA 183.054 NA "5" 0.118394234041897 92.657263754 0.00461353770856342 TRUE +"Malathion dicarboxilic acid" NA NA NA 184.956 NA "5" -0.074153926813293 212.018755439 0.0105567171262197 FALSE +"Malathion dicarboxilic acid" NA NA NA 187.004 NA "5" 0.108830633613764 941.066299451 0.0468570372453718 TRUE +"Malathion dicarboxilic acid" NA NA NA 189.021 NA "5" 0.508419430479885 146.580297463 0.00729844269385517 TRUE +"Malathion dicarboxilic acid" NA NA NA 189.911 NA "5" 0.87690485484064 148.989129555 0.0074183818895511 TRUE +"Malathion dicarboxilic acid" NA NA NA 192.981 NA "5" -0.0384696232288205 1596.369196382 0.0794855058946147 FALSE +"Malathion dicarboxilic acid" NA NA NA 197.022 NA "5" -0.0619440037636622 179.884572989 0.00895671021407378 FALSE +"Malathion dicarboxilic acid" NA NA NA 198.997 NA "5" -0.028668865104496 276.667024113 0.0137756469028716 FALSE +"Malathion dicarboxilic acid" NA NA NA 201.02 NA "5" 0.237137284012593 239.864170096 0.0119431801548682 TRUE +"Malathion dicarboxilic acid" NA NA NA 202.991 NA "5" -0.0966182688129124 1407.858670707 0.0700992971568763 FALSE +"Malathion dicarboxilic acid" NA NA NA 205.027 NA "5" 0.133069171499041 130.40357304 0.00649298044402344 TRUE +"Malathion dicarboxilic acid" NA NA NA 213.08 NA "5" -0.457317913367628 282.143243319 0.0140483156908721 FALSE +"Malathion dicarboxilic acid" NA NA NA 215.035 NA "5" 0.104159055038702 4632.372268515 0.23065244185969 TRUE +"Malathion dicarboxilic acid" NA NA NA 215.963 NA "5" 0.149064407342261 152.968408575 0.00761651588431708 TRUE +"Malathion dicarboxilic acid" NA NA NA 217.11 NA "5" -0.065462150775907 149.235903278 0.00743066910622917 FALSE +"Malathion dicarboxilic acid" NA NA NA 219.11 NA "5" 0.135712941972458 275.246332175 0.0137049086189782 TRUE +"Malathion dicarboxilic acid" NA NA NA 229.034 NA "5" 0.1770967268039 508.844859597 0.0253361134621037 TRUE +"Malathion dicarboxilic acid" NA NA NA 231.032 NA "5" -0.102884748154224 548.515546309 0.027311373702427 FALSE +"Malathion dicarboxilic acid" NA NA NA 233.021 NA "5" 0.0252727083027678 5883.46527449 0.292946152316215 TRUE +"Malathion dicarboxilic acid" NA NA NA 239.07 NA "5" 0.360021753339356 289.00519777 0.0143899822190159 TRUE +"Malathion dicarboxilic acid" NA NA NA 243 NA "5" -0.053037039486054 3332.41069708 0.165925495622409 FALSE +"Malathion dicarboxilic acid" NA NA NA 244.961 NA "5" -0.281228966283381 369.79291249 0.0184125181017819 FALSE +"Malathion dicarboxilic acid" NA NA NA 247.121 NA "5" -0.000759194687357852 453.035788533 0.0225572999789294 TRUE +"Malathion dicarboxilic acid" NA NA NA 256.992 NA "5" 1 20083.7772675 1 TRUE +"Malathion dicarboxilic acid" NA NA NA 261.023 NA "5" -0.0148073154145046 138.486630433 0.00689544743443765 FALSE +"Malathion dicarboxilic acid" NA NA NA 275.072 NA "5" 0.106470337603423 7538.973325 0.375376266356017 TRUE +"Methamidophos" NA NA NA 93.9 NA "10" 0.976908842717177 9354.73397623 0.0482149771671354 TRUE +"Methamidophos" NA NA NA 99.88 NA "10" 0.513584871583348 164.780854231 0.000849292469942643 TRUE +"Methamidophos" NA NA NA 109.875 NA "10" 0.284212959905891 434.336410282 0.0022386013496283 TRUE +"Methamidophos" NA NA NA 111.944 NA "10" 0.703154152581651 915.166019881 0.00471683201946947 TRUE +"Methamidophos" NA NA NA 114.009 NA "10" -0.0808744594898649 205.122636803 0.00105721694225077 FALSE +"Methamidophos" NA NA NA 123.965 NA "10" -0.178837358040908 522.942952646 0.00269528589328229 FALSE +"Methamidophos" NA NA NA 124.905 NA "10" 0.944616104231969 4800.928386691 0.0247443329904978 TRUE +"Methamidophos" NA NA NA 141.916 NA "10" 1 194021.3295923 1 TRUE +"Methamidophos" NA NA NA 142.955 NA "10" 0.462998313752461 215.166582594 0.0011089841670817 TRUE +"Metolachlor" NA NA NA 176.128 NA "2" 0.760582065871439 995.27586705 0.00140948787866654 TRUE +"Metolachlor" NA NA NA 196.04 NA "2" 0.191220558744757 165.330739505 0.000234137771263337 TRUE +"Metolachlor" NA NA NA 212.064 NA "2" 0.931185345473568 3303.57566825 0.00467845148748308 TRUE +"Metolachlor" NA NA NA 220.094 NA "2" 0.643787158940323 134.73387814 0.000190807166506454 TRUE +"Metolachlor" NA NA NA 222.125 NA "2" 0.424376972972785 149.329081531 0.000211476573800797 TRUE +"Metolachlor" NA NA NA 224.025 NA "2" 0.280374162629315 1240.410666011 0.0017566424106045 TRUE +"Metolachlor" NA NA NA 238.138 NA "2" 0.391062783784674 278.464510935 0.000394355339856714 TRUE +"Metolachlor" NA NA NA 240.107 NA "2" 0.591264299722738 309.572997085 0.000438410496425569 TRUE +"Metolachlor" NA NA NA 241.023 NA "2" 0.595274120987579 198.540365455 0.000281168515985718 TRUE +"Metolachlor" NA NA NA 243.012 NA "2" 0.396358480157969 350.776814924 0.000496762440566436 TRUE +"Metolachlor" NA NA NA 248.131 NA "2" 0.678240672160261 330.1702237165 0.000467579837542316 TRUE +"Metolachlor" NA NA NA 252.088 NA "2" 1 706125.8788487 1 TRUE +"Metolachlor" NA NA NA 253.149 NA "2" 0.617816316710038 610.27153687 0.000864253180842224 TRUE +"Metolachlor" NA NA NA 256.233 NA "2" 0.912395716840148 160.856989391 0.000227802144361666 TRUE +"Metolachlor" NA NA NA 266.126 NA "2" -0.116852848038893 2686.12464523 0.00380403087564158 FALSE +"Metolachlor" NA NA NA 267.137 NA "2" 0.0441030462799913 90.919785974 0.000128758609048913 TRUE +"Metolachlor" NA NA NA 284.143 NA "2" 0.917041451436126 27717.1231987 0.0392523826543382 TRUE +"Metolachlor" NA NA NA 285.045 NA "2" 0.46981332944969 786.727229625 0.00111414586717558 TRUE +"Metolachlor" NA NA NA 104.917 NA "6" 0.130410538297487 67.732931137 0.000302088164521329 TRUE +"Metolachlor" NA NA NA 212.095 NA "6" 0.585824508393064 1215.116215726 0.00541940561447594 TRUE +"Metolachlor" NA NA NA 224.037 NA "6" -0.121009816842564 339.173356055 0.00151270962093686 FALSE +"Metolachlor" NA NA NA 252.116 NA "6" 1 224215.7723866 1 TRUE +"Metolachlor" NA NA NA 266.193 NA "6" -0.192997823151521 628.791106722 0.00280440176009482 FALSE +"Metolachlor" NA NA NA 284.148 NA "6" 0.993045070992658 155026.670419 0.691417328802802 TRUE +"Metolachlor" NA NA NA 284.996 NA "6" 0.137649546667365 459.575310689 0.00204970107944318 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 71.924 NA "1" 0.831213054372806 1933.43451305 0.00181816864864583 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 90.956 NA "1" 0.822308544953969 1277.57458017 0.00120140921882462 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 99.971 NA "1" 0.904831380805312 4819.97843154 0.0045326250318924 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 118.961 NA "1" 0.996276922706082 196757.537712 0.185027413154208 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 159.034 NA "1" 0.318506076968014 5745.2918091 0.00540277385870641 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 159.873 NA "1" -0.60812844929883 81418.296387 0.076564369218524 FALSE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 173.926 NA "1" -0.0254778159834255 6464.1887357 0.00607881219604324 FALSE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 177.88 NA "1" 0.189033868824133 1156.2770652 0.00108734311656538 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 192.083 NA "1" 1 1063396.68462 1 TRUE +"N,N-diethyl-m-toluamide ou DEET" NA NA NA 192.983 NA "1" 0.843516913487705 669.860601479 0.000629925418394897 TRUE +"Nigericin" NA NA NA 303.112 NA "8" 0.276061805503448 256.771903521 2.6267948084131e-05 TRUE +"Nigericin" NA NA NA 345.081 NA "8" 0.872974522948053 170.187350269 1.74102867959473e-05 TRUE +"Nigericin" NA NA NA 361.017 NA "8" 0.0124772075594237 270.481686601 2.76704686296107e-05 TRUE +"Nigericin" NA NA NA 377.207 NA "8" 0.131631712997993 212.930380819 2.17829291764015e-05 TRUE +"Nigericin" NA NA NA 399.234 NA "8" -0.160310017373442 155.459186543 1.59035851871495e-05 FALSE +"Nigericin" NA NA NA 419.123 NA "8" 0.454680561332234 334.087566385 3.41773953030539e-05 TRUE +"Nigericin" NA NA NA 485.072 NA "8" 0.625478626726129 192.458596704 1.96886511228122e-05 TRUE +"Nigericin" NA NA NA 491.181 NA "8" 0.789429377035226 124.569573874 1.27435558739663e-05 TRUE +"Nigericin" NA NA NA 501.074 NA "8" 0.518631975615399 1962.279740704 0.000200742611043264 TRUE +"Nigericin" NA NA NA 501.674 NA "8" -0.430131005779289 200.27525187 2.04883004975159e-05 FALSE +"Nigericin" NA NA NA 507.181 NA "8" -0.251490955631681 218.69433498 2.23725857805091e-05 FALSE +"Nigericin" NA NA NA 509.012 NA "8" -0.429865460317741 199.1876421 2.03770372456477e-05 FALSE +"Nigericin" NA NA NA 523.044 NA "8" 0.751433918824564 240.14782524 2.45672930699186e-05 TRUE +"Nigericin" NA NA NA 525.047 NA "8" 0.369620356347346 576.361316696 5.89621720175225e-05 TRUE +"Nigericin" NA NA NA 559.128 NA "8" -0.452581405412262 103.529180519 1.05911086913109e-05 FALSE +"Nigericin" NA NA NA 567.118 NA "8" -0.280307875056363 249.41364288 2.55151927948768e-05 FALSE +"Nigericin" NA NA NA 567.84 NA "8" 0.314904511665119 259.228322029 2.65192414419954e-05 TRUE +"Nigericin" NA NA NA 573.188 NA "8" 0.204956739980892 221.88957263 2.26994608612938e-05 TRUE +"Nigericin" NA NA NA 580.134 NA "8" -0.922860631777539 194.64446546 1.99122670489084e-05 FALSE +"Nigericin" NA NA NA 583.175 NA "8" -0.278575818189492 7100.821918505 0.000726419125115431 FALSE +"Nigericin" NA NA NA 589.224 NA "8" 0.259267360589335 295.832520469 3.0263876937929e-05 TRUE +"Nigericin" NA NA NA 597.137 NA "8" 0.0962309118248645 733.689611459 7.50569683029789e-05 TRUE +"Nigericin" NA NA NA 599.176 NA "8" 0.4954055574688 643.235493679 6.58034478154985e-05 TRUE +"Nigericin" NA NA NA 605.112 NA "8" -0.131821024710719 667.355635634 6.82709554671057e-05 FALSE +"Nigericin" NA NA NA 607.207 NA "8" 0.386404570315643 160.19072342 1.63876247699032e-05 TRUE +"Nigericin" NA NA NA 641.29 NA "8" 0.525836751321722 128.127842899 1.31075693222306e-05 TRUE +"Nigericin" NA NA NA 643.054 NA "8" -0.122597010721492 200.36151887 2.04971256728809e-05 FALSE +"Nigericin" NA NA NA 649.15 NA "8" 0.0135917112326882 318.911627299 3.26248859569277e-05 TRUE +"Nigericin" NA NA NA 659.2 NA "8" -0.0208921009305321 191.511249542 1.95917368353539e-05 FALSE +"Nigericin" NA NA NA 662.044 NA "8" 0.641603671405639 564.714775576 5.77707225898213e-05 TRUE +"Nigericin" NA NA NA 662.839 NA "8" -0.770778338634856 298.1920786 3.05052614104381e-05 FALSE +"Nigericin" NA NA NA 665.097 NA "8" 0.173815491725012 7548.058466541 0.000772171741597377 TRUE +"Nigericin" NA NA NA 665.749 NA "8" 0.300790361762257 281.057827949 2.87524154004613e-05 TRUE +"Nigericin" NA NA NA 669.122 NA "8" 0.0967591317188712 356.941339497 3.65153525226741e-05 TRUE +"Nigericin" NA NA NA 673.1 NA "8" 0.367543680004672 302.894679066 3.09863407777965e-05 TRUE +"Nigericin" NA NA NA 685.782 NA "8" 0.989073483112958 2607.612306107 0.000266760590785424 TRUE +"Nigericin" NA NA NA 687.162 NA "8" 0.117209497383374 3219.00846012 0.00032930685154147 TRUE +"Nigericin" NA NA NA 687.93 NA "8" -0.295647504227922 432.271391383 4.4221670328409e-05 FALSE +"Nigericin" NA NA NA 689.222 NA "8" 0.0990170536326388 331.674744123 3.39305618721164e-05 TRUE +"Nigericin" NA NA NA 689.69 NA "8" -0.0874519018397863 218.260694507 2.2328224052159e-05 FALSE +"Nigericin" NA NA NA 697.766 NA "8" 0.978490404441732 785.784382825 8.03863004103169e-05 TRUE +"Nigericin" NA NA NA 701.101 NA "8" 0.731316939349366 315.705478664 3.22968946746288e-05 TRUE +"Nigericin" NA NA NA 703.314 NA "8" 0.989992321852776 2052.161657913 0.000209937595005967 TRUE +"Nigericin" NA NA NA 703.713 NA "8" 0.812645867594796 20306.616162854 0.00207738125478592 TRUE +"Nigericin" NA NA NA 704.813 NA "8" 0.599238844962928 318.047350886 3.25364698660871e-05 TRUE +"Nigericin" NA NA NA 705.992 NA "8" 0.120548202111509 253.04758263 2.58869474120484e-05 TRUE +"Nigericin" NA NA NA 711.315 NA "8" 0.151876467907261 280.26337147 2.86711419384535e-05 TRUE +"Nigericin" NA NA NA 715.256 NA "8" 0.480161788515133 1563.55045611 0.000159952322060259 TRUE +"Nigericin" NA NA NA 715.695 NA "8" 0.72775020990742 2603.190510313 0.000266308237935432 TRUE +"Nigericin" NA NA NA 717.092 NA "8" -0.391884247279159 379.933180811 3.88674342174119e-05 FALSE +"Nigericin" NA NA NA 729.441 NA "8" 0.804708938857451 21682.60615534 0.002218146008216 TRUE +"Nigericin" NA NA NA 729.694 NA "8" 0.786614968968642 859696.24143705 0.0879475360369561 TRUE +"Nigericin" NA NA NA 730.964 NA "8" 0.975276542575758 1660.164900783 0.000169836048363826 TRUE +"Nigericin" NA NA NA 732.111 NA "8" 0.177582057430054 456.192295545 4.66687958122979e-05 TRUE +"Nigericin" NA NA NA 738.222 NA "8" -0.112157886239301 289.26318264 2.95918290126186e-05 FALSE +"Nigericin" NA NA NA 747.371 NA "8" -0.0779329807538978 3244089.5208734 0.331872661868578 FALSE +"Nigericin" NA NA NA 747.847 NA "8" 1 9775103.20557247 1 TRUE +"Nigericin" NA NA NA 748.688 NA "8" 0.871801308846705 19038.053184765 0.00194760636122103 TRUE +"Omethoate" NA NA NA 87.929 NA "2" 0.868211031404848 429.379247656 0.00784836708858288 TRUE +"Omethoate" NA NA NA 124.897 NA "2" 0.63416703268722 307.230954691 0.00561569131846479 TRUE +"Omethoate" NA NA NA 140.943 NA "2" 0.28867995166299 2547.8089448 0.0465698796099839 TRUE +"Omethoate" NA NA NA 153.952 NA "2" 0.445002235355301 1394.67151636 0.0254923685486383 TRUE +"Omethoate" NA NA NA 154.898 NA "2" 0.903281466013988 3686.16078187 0.0673771336681627 TRUE +"Omethoate" NA NA NA 157.948 NA "2" -0.171952225299012 5749.6453247 0.10509433649563 FALSE +"Omethoate" NA NA NA 171.95 NA "2" -0.593063434599588 180.908488267 0.0033067183221149 FALSE +"Omethoate" NA NA NA 173.018 NA "2" 0.59156649019933 570.920797354 0.0104355206279798 TRUE +"Omethoate" NA NA NA 181.925 NA "2" 0.167929175305517 2353.4972763 0.0430181725530914 TRUE +"Omethoate" NA NA NA 182.907 NA "2" 1 54709.3736582 1 TRUE +"Omethoate" NA NA NA 195.97 NA "2" 0.967697478321254 12714.1094668 0.232393621360613 TRUE +"Omethoate" NA NA NA 214.033 NA "2" 0.989920907401226 20372.4348769 0.37237558236689 TRUE +"Prochloraz" NA NA NA 201.986 NA "1" 0.654532994188289 320.311538685 0.00111224181016321 TRUE +"Prochloraz" NA NA NA 238.099 NA "1" 0.419623954559818 257.66075992 0.000894694806181419 TRUE +"Prochloraz" NA NA NA 244.082 NA "1" 0.717875977812794 894.255809314 0.00310519160247456 TRUE +"Prochloraz" NA NA NA 245.134 NA "1" -0.306469344418807 179.53681564 0.000623419167595921 FALSE +"Prochloraz" NA NA NA 265.97 NA "1" 0.959110121105955 6848.746319913 0.0237814161659027 TRUE +"Prochloraz" NA NA NA 280.082 NA "1" 0.945296169467766 2133.000283721 0.00740657706676483 TRUE +"Prochloraz" NA NA NA 291.007 NA "1" -0.00151994503068215 389.368725297 0.00135203426521318 TRUE +"Prochloraz" NA NA NA 294.043 NA "1" 0.133059143955174 1008.16582397 0.00350072990064777 TRUE +"Prochloraz" NA NA NA 303.009 NA "1" 0.495070256706509 206.674549112 0.000717651557489022 TRUE +"Prochloraz" NA NA NA 308.012 NA "1" 1 287987.3205252 1 TRUE +"Prochloraz" NA NA NA 310.113 NA "1" 0.322378179260344 261.194522859 0.000906965356608971 TRUE +"Prochloraz" NA NA NA 315.053 NA "1" -0.154138467883504 338.202372563 0.00117436549618304 FALSE +"Prochloraz" NA NA NA 316.099 NA "1" -0.0399268222906899 2865.441486445 0.00994988765900984 FALSE +"Prochloraz" NA NA NA 318.151 NA "1" 0.092384504879909 199.611021524 0.000693124340196544 TRUE +"Prochloraz" NA NA NA 330.215 NA "1" 0.0921833864370504 276.492937091 0.000960087189209449 TRUE +"Prochloraz" NA NA NA 332.181 NA "1" 0.3876058495216 376.843055239 0.00130854044043243 TRUE +"Prochloraz" NA NA NA 333.889 NA "1" 0.847586588601703 113.467085369 0.000394000281547365 TRUE +"Prochloraz" NA NA NA 335.042 NA "1" -0.1360577095389 215.835879809 0.000749463134055284 FALSE +"Prochloraz" NA NA NA 340.17 NA "1" 0.393974584266385 381.260290641 0.00132387873863925 TRUE +"Prochloraz" NA NA NA 344.135 NA "1" -0.119541691585983 1388.246995462 0.00482051429531782 FALSE +"Prochloraz" NA NA NA 358.239 NA "1" -0.0333640421174193 811.082062751 0.00281638115619756 FALSE +"Prochloraz" NA NA NA 358.985 NA "1" -0.139135961325793 228.147804732 0.000792214755552185 FALSE +"Prochloraz" NA NA NA 376.176 NA "1" 0.213578908908872 10308.57720772 0.035795246780033 TRUE +"Prochloraz" NA NA NA 377.023 NA "1" -0.0453165711816044 369.333282477 0.00128246369251066 FALSE +"Prochloraz" NA NA NA 135.973 NA "7" 0.114630923350083 143.928166396 0.000949178809656671 TRUE +"Prochloraz" NA NA NA 202.005 NA "7" 0.258425894565265 394.165222649 0.00259944447435434 TRUE +"Prochloraz" NA NA NA 233.023 NA "7" -0.273261446171226 190.591785906 0.00125691648137069 FALSE +"Prochloraz" NA NA NA 234.035 NA "7" -0.291827718735545 278.200731283 0.00183468076872653 FALSE +"Prochloraz" NA NA NA 238.026 NA "7" -0.028173451732356 205.77438355 0.00135704281744572 FALSE +"Prochloraz" NA NA NA 244.054 NA "7" 0.485699748004766 872.686310784 0.0057551997945598 TRUE +"Prochloraz" NA NA NA 266.002 NA "7" 0.963071423354662 4327.34904575 0.0285380417125085 TRUE +"Prochloraz" NA NA NA 280.094 NA "7" 0.73706774686317 1298.919650077 0.00856612738265254 TRUE +"Prochloraz" NA NA NA 293.094 NA "7" -0.0928829745817302 200.444505207 0.00132189328620453 FALSE +"Prochloraz" NA NA NA 294.038 NA "7" -0.131949255889773 1575.694126647 0.0103914022735398 FALSE +"Prochloraz" NA NA NA 304.076 NA "7" -0.195251390549766 809.598223213 0.00533914588820071 FALSE +"Prochloraz" NA NA NA 308.049 NA "7" 1 151634.4074812 1 TRUE +"Prochloraz" NA NA NA 310.076 NA "7" -0.143486884545167 105.641312124 0.000696684307201831 FALSE +"Prochloraz" NA NA NA 315.042 NA "7" 0.245421552872291 440.677309527 0.00290618281725825 TRUE +"Prochloraz" NA NA NA 316.046 NA "7" 0.202875988168563 2305.138855487 0.0152019511519692 TRUE +"Prochloraz" NA NA NA 333.982 NA "7" 0.674615895655882 201.20180177 0.00132688751261778 TRUE +"Prochloraz" NA NA NA 344.079 NA "7" -0.113070554769094 697.322455414 0.0045987086110417 FALSE +"Prochloraz" NA NA NA 358.19 NA "7" -0.564930888257682 305.289077308 0.00201332324489645 FALSE +"Prochloraz" NA NA NA 360.155 NA "7" -0.502928639051151 135.6890707 0.000894843544772799 FALSE +"Prochloraz" NA NA NA 375.87 NA "7" -0.181127485034532 375.156909479 0.00247408827396587 FALSE +"p-Toluenesulfonamide" NA NA NA 112.779 NA "5" 0.325044247148387 527.826451544 0.0576739280872289 TRUE +"p-Toluenesulfonamide" NA NA NA 127.908 NA "5" -0.0640430379042245 236.805536746 0.0258749925415739 FALSE +"p-Toluenesulfonamide" NA NA NA 128.987 NA "5" -0.277635803719822 209.208140355 0.0228595122635519 FALSE +"p-Toluenesulfonamide" NA NA NA 129.898 NA "5" 0.000709137026072913 354.06029941 0.038687049856979 TRUE +"p-Toluenesulfonamide" NA NA NA 130.911 NA "5" -0.578543677033297 318.10253716 0.0347580588257077 FALSE +"p-Toluenesulfonamide" NA NA NA 139.929 NA "5" 0.12887185625977 1235.91298662 0.135044305763544 TRUE +"p-Toluenesulfonamide" NA NA NA 143.998 NA "5" 0.373261174761825 305.941217187 0.033429229829895 TRUE +"p-Toluenesulfonamide" NA NA NA 154.942 NA "5" 1 9151.9074398 1 TRUE +"p-Toluenesulfonamide" NA NA NA 156.842 NA "5" -0.117743180396952 2257.3347168 0.246651829866991 FALSE +"p-Toluenesulfonamide" NA NA NA 171.922 NA "5" -0.357274519521877 7086.8286743 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0.00379093348731535 TRUE +"TCMTB" NA NA NA 203.096 NA "9" -0.221096165550379 459.324955954 0.00835148886372388 FALSE +"TCMTB" NA NA NA 206.037 NA "9" 0.224708424475271 152.820631021 0.00277859885811855 TRUE +"TCMTB" NA NA NA 206.968 NA "9" 0.0648459873610877 3160.93913257 0.0574724878811311 TRUE +"TCMTB" NA NA NA 209.042 NA "9" -0.436829860514424 3198.85811233 0.0581619342808629 FALSE +"TCMTB" NA NA NA 211.115 NA "9" -0.280740026389369 578.71673209 0.0105222811881886 FALSE +"TCMTB" NA NA NA 211.964 NA "9" 0.883363605602239 20718.67312981 0.376708832541796 TRUE +"TCMTB" NA NA NA 219.123 NA "9" 0.156834806955156 123.263058663 0.00224118034169187 TRUE +"TCMTB" NA NA NA 221.079 NA "9" -0.065589553913041 2733.66568752 0.0497037625553133 FALSE +"TCMTB" NA NA NA 223.1 NA "9" 0.160330819515189 543.135544781 0.0098753407471842 TRUE +"TCMTB" NA NA NA 225.046 NA "9" -0.213427886842008 381.507453195 0.00693660382586481 FALSE +"TCMTB" NA NA NA 239.075 NA "9" 0.0824682602917446 27067.5244917 0.492144235645765 TRUE +"Trichlorfon (Dylox)" NA NA NA 78.8 NA "4" 0.151257867874564 279.873629576 0.00690652095555926 TRUE +"Trichlorfon (Dylox)" NA NA NA 108.91 NA "4" 0.959259374557172 9640.82224867 0.237909305675332 TRUE +"Trichlorfon (Dylox)" NA NA NA 125.093 NA "4" -0.504318115966813 178.089407913 0.00439476284199285 FALSE +"Trichlorfon (Dylox)" NA NA NA 126.982 NA "4" 0.717921604701925 1076.07612804 0.0265546358881489 TRUE +"Trichlorfon (Dylox)" NA NA NA 139.993 NA "4" 0.278147849900483 1970.98268515 0.0486384988777101 TRUE +"Trichlorfon (Dylox)" NA NA NA 144.957 NA "4" 0.85077548456359 4235.84716059 0.104529202066952 TRUE +"Trichlorfon (Dylox)" NA NA NA 184.933 NA "4" 0.175270400314752 348.909767164 0.00861014530796692 TRUE +"Trichlorfon (Dylox)" NA NA NA 187.018 NA "4" -0.317527047384557 107.324927324 0.00264848767902871 FALSE +"Trichlorfon (Dylox)" NA NA NA 196.962 NA "4" -0.0120243563814562 2081.96281053 0.0513771869161251 FALSE +"Trichlorfon (Dylox)" NA NA NA 199.081 NA "4" 0.511848259153306 144.142693995 0.00355705015215411 TRUE +"Trichlorfon (Dylox)" NA NA NA 201.178 NA "4" 0.0484047608338802 127.383673675 0.00314348305328139 TRUE +"Trichlorfon (Dylox)" NA NA NA 211.039 NA "4" 0.522207219270133 156.726169586 0.00386757614917167 TRUE +"Trichlorfon (Dylox)" NA NA NA 212.979 NA "4" 0.251045877916677 334.711538323 0.00825977158690306 TRUE +"Trichlorfon (Dylox)" NA NA NA 215.037 NA "4" 0.123612564840088 412.352368363 0.0101757363760497 TRUE +"Trichlorfon (Dylox)" NA NA NA 220.939 NA "4" 1 40523.0985871 1 TRUE +"Trichlorfon (Dylox)" NA NA NA 225.006 NA "4" -0.418502449320938 503.974612244 0.012436724480996 FALSE +"Trichlorfon (Dylox)" NA NA NA 226.966 NA "4" 0.029974355651004 177.141063216 0.00437136027086513 TRUE +"Trichlorfon (Dylox)" NA NA NA 228.998 NA "4" 0.686355561238603 1013.548554406 0.0250116252148756 TRUE +"Trichlorfon (Dylox)" NA NA NA 239.072 NA "4" -0.223508651705819 1313.5219316555 0.0324141533459547 FALSE +"Trichlorfon (Dylox)" NA NA NA 257.008 NA "4" 0.950607639404665 25290.7478033 0.624106958379313 TRUE