{"text_format":"3","workbook":"xlsx","n_sheets":1,"sheets":["Annotated metabolites"],"read":"whole","date_system":"1900"}

{"sheet":"Annotated metabolites","index":0,"n_rows":825,"n_cols":10,"rows_kept":825}
["Peak ID","MS2 score","MS2_name","IR_mean","ID_mean","VIP","p_value","q_value","Fold change (ID/IR)","log2foldchange"]
[57,0.9368,"Pyrrolidine",0.0639782474977863,0.0890003654896396,0.846106561161866,0.344338613688077,0.715684177469336,1.3911035230016122,0.4762297862091747]
[72,0.998,"Propionic acid",0.411125915603753,0.216996034477775,0.995608529638067,0.220849373894146,0.503434303898389,0.5278091850743795,-0.9219116378458492]
[169,0.8578,"gamma-Aminobutryic acid",0.111694616673203,0.0509632521690569,1.82767358708179,0.0060805309000997,0.07710249585344,0.4562731283474976,-1.1320304043765748]
[188,0.9725,"4-Hydroxybutanoic acid lactone",0.239203785898767,0.102277565695313,1.83519871157702,0.00539947936395191,0.0704738069903749,0.42757502901144595,-1.2257504948067497]
[204,0.7577,"2-Amino-2-methyl-1,3-propanediol",0.0105082810879166,0.00962752282734422,0.524781230305638,0.582562790787336,0.859079659678732,0.9161843641977604,-0.1262901531696622]
[215,0.9553,"Putrescine",0.00779746189958518,0.00489519510922747,0.599828240658786,0.261390786477064,0.632262782034299,0.6277933989633077,-0.6716382353412872]
[217,0.9998,"L-Alanine",0.109458527016755,0.0801466065853073,1.53131696243898,0.0492021351399555,0.260006590974193,0.7322098037463918,-0.4496710044986412]
[218,0.9704,"Sarcosine",0.15507976289898,0.158338367258695,0.627356344267277,0.958679001792418,0.98982376103463,1.0210124409452292,0.030000445432791224]
[222,0.9916,"L-Alanine",0.0181030026642384,0.00694634864479199,1.79004528016898,0.000327666168813638,0.0230146475714341,0.3837125129807423,-1.381902282459262]
[225,0.9338,"Dihydroxyacetone",0.293720407441382,0.25512614865925,0.681665727911714,0.366913577247975,0.641551896670441,0.8686020521409147,-0.20323273361061145]
[226,0.9442,"DL-lactate",0.105278353526048,0.0745592048973094,0.662747099940935,0.324935864688586,0.612186174218214,0.7082102103625884,-0.49775045147866026]
[247,0.7855,"Phenol",0.0546927053699988,0.15817456482182,1.63945718429247,0.00352124950663333,0.0610120034042321,2.8920596220604082,1.5320972948769367]
[311,0.811,"3,3-Dimethylacrylic acid",0.0151273838656554,0.0117909299618789,0.779321893264253,0.485250055609211,0.810660040754497,0.7794427685971895,-0.3594849994719929]
[323,0.9062,"Valeric acid",0.284613698576945,0.134994804192688,1.11134556101157,0.151627171495493,0.423258644678111,0.4743088785524225,-1.076101220516594]
[327,0.7045,"3-Butynoic acid",0.00611716234368912,0.00497528504276913,0.475237458760251,0.620917205056275,0.872909380444999,0.8133321895407879,-0.29808338179978977]
[328,0.8973,"L-.alpha.-Amino-.gamma.-butyrolactone",0.0302438625025385,0.0267264487141377,0.422620530171935,0.519605139595727,0.831977977745267,0.8836982614867539,-0.17837424898968338]
[334,0.7996,"Malonic acid",0.0400494192942656,0.0280282259856422,1.14775454975432,0.105541900455052,0.349045522805386,0.6998410084226956,-0.5149008905630242]
[336,0.9695,"2-hydroxy-butanoic acid",0.119963224516261,0.0871142133582579,0.509133705457531,0.433132583362632,0.692856624957797,0.7261743230855685,-0.4616121763328687]
[337,0.8624,"D(-)-beta-hydroxy butyric acid",0.0232718631585333,0.0275095558097731,0.813481400804195,0.32380924874488,0.611547556848525,1.1820951172826886,0.2413461266414822]
[345,0.9962,"L-Serine",0.0908053927004694,0.0388580871887851,1.7193178830987,0.000673211499967863,0.0310308425766437,0.4279270870724865,-1.2245630928403701]
[349,0.8917,"Glyceric acid",0.190792020439663,0.504677001270871,1.73566056825621,0.000165072603412945,0.0145549130990207,2.6451682838091886,1.4033595085374087]
[364,0.9595,"p-Cresol",0.055175793871053,0.32602482769048,1.65164483483156,{"v":7.18199496232686e-05,"d":"7.18E-05"},0.0145549130990207,5.908838003353553,2.5628744465407762]
[365,0.9441,"4-Aminobutyric acid",0.253684902856798,0.11279930651449,1.8251146718458,0.00900140218278232,0.0937602701351083,0.4446433557702242,-1.169279467023782]
[372,0.9721,"3-Aminobutanoic acid",0.0160852335862984,0.0137878273095903,0.589878266553296,0.720215976420622,0.914278787391201,0.857172961500226,-0.2223417522513034]
[375,0.6012,"Choline",4.66777122496719,5.76978746769362,1.43195339136931,0.0403237129836134,0.226365516499911,1.2360904572254772,0.3057843236754673]
[391,0.9995,"Uracil",4.19267482839445,3.95563558638477,0.625594024716776,0.88032037901867,0.969009372427267,0.943463480543648,-0.08396141962470637]
[395,0.8872,"Diethanolamine",0.0369695094043111,0.0263772511536538,0.731655744695458,0.367318108294607,0.734744748095395,0.7134866428759773,-0.48704167350722816]
[434,0.9582,"Maleamic acid",0.00401249557472566,0.00444821379217738,0.895809679060922,0.88154866236932,0.969637790450968,1.1085903297180608,0.14872632810046374]
[436,0.9608,"L-Proline",1.11832532672115,1.22935040086846,0.478726008809489,0.489174785030336,0.735507449459475,1.0992779752854454,0.1365562478491921]
[438,0.9983,"Imidazole",0.180500033289978,0.118348666570169,0.783116305003023,0.250050653966837,0.619795431153012,0.6556711620104734,-0.6089556518164801]
[445,0.9998,"Maleic acid",0.0339844817648043,0.022890915827913,0.832628345660123,0.216982497809602,0.499296699327868,0.6735696600093445,-0.5701009391728601]
[454,0.8497,"Cytosine",0.0142952246129583,0.0157717808574928,0.360976722414816,0.648811324259353,0.886440235511133,1.103290174482186,0.14181228161796186]
[458,0.9808,"Cycloleucine",0.0155012384278095,0.0134522974942892,0.58658388832897,0.489832685501897,0.812779465261895,0.8678208232805152,-0.2045308909831008]
[466,0.8621,"Uracil",0.0336969115249627,0.0251634687374142,1.2262050399259,0.0684175459765481,0.320229656752571,0.7467589045593416,-0.4212855591547648]
[475,0.8301,"L-Valine",0.939608110322772,0.675051492591879,1.16072011384178,0.149525323268513,0.423258644678111,0.718439405934871,-0.47706161175195755]
[482,0.625,"Hydroxyproline",0.013242528032368,0.00671163096267994,1.06847711523221,0.188316284749298,0.557758870910351,0.5068239951069056,-0.9804432657475193]
[484,0.9999,"Creatinine",0.0135042193379932,0.00776542301596025,0.891417558036927,0.226730694747239,0.594468779078311,0.5750367956563591,-0.798273820199895]
[485,1,"Pyruvaldehyde",0.0161712776712616,0.0356949361813849,0.990786570278096,0.231276076311611,0.599653941746076,2.2073046364678595,1.1422857538549083]
[489,0.6703,"epsilon-Caprolactam",0.301477361014023,0.188314025601832,0.850689773134441,0.220670395597785,0.588957101660334,0.6246373690164838,-0.6789092135178567]
[494,0.9382,"Dihydrouracil",0.0189905836181819,0.00279819938854156,1.91573804884609,0.000190974857809915,0.0137654677509387,0.14734667690057285,-2.762713571060165]
[495,0.8438,"3-Cyano-L-alanine",0.0141391452231178,0.00851349718168462,1.48365604238698,0.0467160221762522,0.250548789726262,0.6021224796365252,-0.7318711148934554]
[503,0.9998,"Ornithine",0.0197531654707523,0.0274018745738798,0.468960689626847,0.621529649591742,0.872909380444999,1.38721434873072,0.4721907263479856]
[504,0.9757,"Succinate",0.526659118171601,0.715126407792531,1.27689702096174,0.0847562061386941,0.308680010011293,1.3578544130693695,0.4413288044704375]
[506,0.8041,"Methylmalonic acid",0.0407964304281448,0.0335156339878256,0.528478783150408,0.70575663250866,0.877912567945601,0.8215334929083331,-0.28360870161369345]
[510,0.7715,"2-Methyl-3-hydroxybutyric acid",0.248601484389458,0.3163006725814,1.02127253880311,0.142079995304942,0.414165994218951,1.2723201285712546,0.347461712913564]
[516,0.9999,"L-Proline",0.0296571640196857,0.0221078933326421,0.724688533126019,0.406993319228901,0.759896756797351,0.7454486652185429,-0.42381908910518235]
[526,0.8088,"L-Threonine",0.0444664466167757,0.0270316569993084,0.411431810005319,0.332459292590459,0.615080659887858,0.6079113366596346,-0.7180671716939704]
[539,0.7735,"1,2-Diacetylhydrazine",0.0138485783663952,0.00999428805964505,0.963876703402296,0.153858503969827,0.502269971292803,0.7216833233869748,-0.4705621774451837]
[548,0.9902,"Betaine",0.707570063018918,0.65183008375104,0.242851577463833,0.77280450528833,0.930541946592461,0.9212233781767732,-0.11837707156410006]
[559,0.9893,"5-Aminopentanoic acid",0.263510175591041,0.329799311346474,0.818595745357268,0.535888209284009,0.837614716702686,1.2515619581169857,0.3237297128844585]
[564,0.9039,"Benzoic acid",0.652141509031514,0.682252304953356,0.616739357182376,0.910189708883628,0.977647084161143,1.046172181198156,0.0651203128832188]
[571,0.6672,"Succinate",0.10253296604095,0.109970230686973,0.760447942852463,0.849434286228552,0.957187863971189,1.0725353506603201,0.1010251995960056]
[572,0.9995,"Nicotinate",0.514195909426554,0.828035544051105,1.56750121485786,0.00304770033683235,0.0576327948311246,1.6103503137054396,0.6873745646566618]
[573,0.6514,"Methylmalonic acid",0.00716077253607869,0.00668311002001188,0.587247817079607,0.845947438976064,0.957187863971189,0.9332945553485793,-0.09959561566004883]
[578,0.8941,"2-Methyl-3-hydroxybutyric acid",0.026867509083887,0.0198976787649177,0.698825917098595,0.371616896392303,0.740590590729521,0.7405851693505429,-0.4332624358972069]
[587,0.9999,"Taurine",0.034075874939386,0.0295980729487709,0.557798685238331,0.431775863104523,0.692856624957797,0.8685931909721999,-0.20324745154656262]
[592,0.9849,"L-Threonine",0.0114722676354557,0.00582474870878383,0.169286683651783,0.241469609538548,0.610914188470801,0.50772426985421,-0.977882870546748]
[596,0.8946,"Tyramine",0.0657439018278989,0.0503338844765849,1.42561804882734,0.0912298407320019,0.386762204810605,0.765605372926396,-0.3853271403676729]
[620,0.9091,"Glutaraldehyde",0.01044320382062,0.00821481146443964,0.480487481885994,0.567723728225805,0.853815808027876,0.7866179388569988,-0.3462650075069601]
[620,0.7866,"5-Amino-4-carbamoylimidazole (AICA)",0.0155197777865702,0.0124065854563215,0.505954169014341,0.656698034313242,0.846704196339189,0.7994048385832784,-0.32300178985607936]
[625,0.7955,"Parachlorophenol",0.159825568973258,0.113468867871839,0.685075743662128,0.29693981212228,0.583204025140297,0.709954412180598,-0.4942017060905094]
[628,0.8556,"Ammelide",0.181756144532782,0.102758592803796,0.855248716831695,0.10661544978979,0.351807132975258,0.565365165881708,-0.8227450984495703]
[646,0.9598,"L-Pyroglutamic acid",3.4291049502254,1.61597378319317,1.5599662316179,0.0564662103883888,0.2366126713718,0.47125235495838347,-1.085428267003053]
[651,0.9997,"L-Pipecolic acid",0.706274879550097,0.292112029189624,1.5786776177176,0.0544317437871831,0.232615299648678,0.4135953828284276,-1.2737080146690198]
[652,0.7079,"Picolinic acid",1.95891817181268,2.6984767112565,1.65580585670806,0.00467291805014164,0.0628402860175764,1.3775341666055765,0.46208810201322875]
[662,0.9997,"Cyanuric acid",0.0504526674456382,0.0497537448907365,0.594229242213733,0.97048150661347,0.989902274993068,0.9861469652589772,-0.020125427746216826]
[666,0.669,"ketoisocaproic acid",1.49061799153707,0.847570708662585,0.865613280043621,0.197203140458555,0.481076665503976,0.5686035681003698,-0.8145049426454753]
[676,0.7578,"4-Imidazoleacetic acid",0.00718814443804002,0.0114815328738101,1.55336037580946,0.00936389876003676,0.0958735543499218,1.5972874464026146,0.6756239622062786]
[677,0.7631,"5-Methylcytosine",0.00445978296521965,0.00607181281304914,1.12519979694437,0.146155179106788,0.492421420495534,1.3614592594305979,0.44515381154304123]
[680,0.9998,"N-Acetyl-L-alanine",0.0356874155681989,0.0369255265870402,0.246096941327957,0.828407318814083,0.943552737645384,1.0346932104532833,0.04920306785231908]
[683,1,"Creatine",0.0120912855838912,0.00668821001161445,0.430841604704104,0.450271483962213,0.704295269187979,0.553143002471542,-0.8542755904020652]
[687,0.9328,"L-Leucine",5.00733525228445,4.03579659866424,0.784781109998825,0.298313876232278,0.583626778297872,0.8059769109374146,-0.31118958486019127]
[687,0.738,"Melamine",0.00757663717171801,0.00788530130303089,0.0108700272371951,0.812297630875464,0.948645710199344,1.0407389352713177,0.057608220391122]
[688,0.9618,"L-Norleucine",0.0223263781442944,0.0215089643845134,0.584653550995557,0.93037816110118,0.985539896277753,0.9633879819423423,-0.05381116816024014]
[702,0.9694,"L-Asparagine",0.0723668816725857,0.0504949452733531,0.484118901656616,0.44538369294911,0.700363483048973,0.6977631771092576,-0.5191906303496234]
[703,0.8122,"Crotonic acid",0.0112781996973473,0.00695039196939811,0.886612219704403,0.168588686523233,0.529262740618235,0.6162678579838308,-0.6983705469036288]
[708,0.8858,"Hydroxyisocaproic acid",5.0979222579861,9.42220768443029,1.39512844410227,0.0188771860697953,0.140999135537966,1.8482446784413051,0.8861557594635356]
[720,1,"Ala-Gly",0.0052420164037697,0.00441522059758981,1.14840975847688,0.115184352445852,0.445412453020226,0.8422752348532685,-0.24763634725740716]
[723,0.9969,"L-Lysine",0.0215815056364603,0.0181367358583119,0.648990167349459,0.617026592208928,0.872849319510925,0.8403832505398174,-0.25088068656982104]
[725,0.9851,"D-Aspartic acid",0.252642392936013,0.183995282940081,0.530502719507008,0.541569505979824,0.770313424609683,0.7282834871924352,-0.4574279604568841]
[726,0.9845,"L-Aspartate",0.0911870632821168,0.0619640541120476,0.483347030609318,0.570489171579239,0.793092863411289,0.6795268087573088,-0.5573976254277788]
[739,1,".beta.-Homoproline",0.12495853609829,0.103602501356934,0.154591989060719,0.761026915727294,0.930541946592461,0.8290950309744526,-0.2703906218056335]
[741,0.6078,"DL-pipecolic acid",0.0185072360622683,0.0171121823622917,0.47023978749357,0.535464404351779,0.837614716702686,0.9246211754535961,-0.11306569167748388]
[742,0.9966,"D-Pipecolinic acid",4.36392509619077,1.9922591587651,1.78171307233077,0.0113847518330783,0.106297009343042,0.4565291829834853,-1.1312210094864874]
[753,0.7725,"DL-3-Phenyllactic acid",0.0205169626590835,0.0174357767106379,0.70170981224717,0.399091452171029,0.758610545160542,0.849822510298255,-0.23476653628494143]
[762,0.9846,"N-Acetylputrescine",0.0436989543046268,0.0307756589078862,1.47391722067471,0.0467283306762443,0.250548789726262,0.7042653399289169,-0.505809011937347]
[766,0.976,"Creatine",0.15765984782923,0.0682089350603099,0.96157300015027,0.0250874910949916,0.172178518247686,0.4326335208327152,-1.2087826439527616]
[766,0.9618,"Adenine",2.90653820022488,2.81468921682887,0.3196804389228,0.934049060343957,0.986302474356076,0.9683991824401607,-0.046326233528645615]
[770,0.9961,"2-Ethoxyethanol",0.029401953100277,0.0171219695710511,0.675600409032426,0.319624739076874,0.691401997293234,0.5823412313003721,-0.7800633258712715]
[771,0.9373,"L-Leucine",0.0116772702664011,0.0121762841817464,0.520300824745419,0.920261752310922,0.975377550471038,1.0427337814370117,0.060370872886586185]
[779,0.9138,"L-Asparagine",0.0136395775630549,0.0103793872871563,0.11935060223732,0.602206309314087,0.868338901138822,0.7609757149129476,-0.394077681281676]
[780,0.6121,"3-Ureidopropionate",0.0120648394955003,0.0140596050115167,0.0707665728287476,0.842839084712024,0.957187863971189,1.165337095181446,0.2207473413177471]
[786,0.9625,"Hypoxanthine",3.07532006606408,2.02750857813417,1.46644475935869,0.0280838383398874,0.163085281698165,0.6592837605774992,-0.6010285494336417]
[787,0.875,"Glycolate",0.0507804236743992,0.045349169743835,0.498314116356975,0.783576174997605,0.917281633429736,0.8930443360341173,-0.1631962937975651]
[789,0.7739,"L-Threonate",0.0415824785043704,0.0369249440371818,0.482591884455716,0.488097779956768,0.73463696473085,0.8879928605819135,-0.17138001746116335]
[793,0.9908,"D-Aspartic acid",0.012648385487368,0.00859529400993209,0.515591375490788,0.46792390419513,0.79697436234369,0.6795566136497222,-0.5573343484136132]
[823,0.9992,"Adenine",0.254684305605504,0.318510123381946,0.848654010955474,0.366600057126451,0.734744748095395,1.250607581117722,0.3226291679300449]
[825,0.7929,"Dopamine",0.0279620905807622,0.0219227209102208,0.521790355638597,0.566031346278297,0.853475417204062,0.7840158033571188,-0.3510453599408075]
[833,0.9979,"Salicylic acid",0.0812918286567156,0.193788106487789,0.327345583054572,0.181931403952305,0.461080448160911,2.3838571439465333,1.2532977828239318]
[835,0.9268,"Urocanic acid",0.0532495664769334,0.0358845041860509,0.930028594252517,0.168263234459904,0.443725160075501,0.6738928889044631,-0.569408792688522]
[838,0.9968,"Hypoxanthine",7.51389480127773,5.23778484743248,1.83455938286047,0.000584879383437317,0.0231445879579504,0.6970798748129665,-0.5206041182854682]
[848,0.7811,"Terpineol",0.0557349974666184,0.0487067889789374,0.439562025590325,0.56543822579186,0.853470756622318,0.8738995459380717,-0.19446064228522403]
[850,0.8891,"4-Nitrophenol",0.389551682339427,0.280521868545776,0.737517834161883,0.381403914261395,0.653558089867294,0.7201146375780496,-0.47370150235966346]
[857,0.6571,"Trigonelline",0.0822753712498254,0.0710465573051549,0.689616899340244,0.716673257140957,0.914278787391201,0.8635215645448172,-0.21169588855945284]
[874,0.974,"Urocanic acid",0.0271182733571302,0.0246425089865619,0.0770451321812393,0.770571093316012,0.930541946592461,0.9087049408358682,-0.13811617174985025]
[884,0.9682,"2-Oxoadipic acid",3.40588454845484,3.47186538740655,0.00200713507870379,0.969397467634992,0.989902274993068,1.0193725999848244,0.027681480253831242]
[885,0.7161,"N,N-Dimethylaniline",0.00894658744407182,0.0129584302002829,0.72389517907943,0.296410681436467,0.666679449536384,1.4484215664677154,0.534481563288496]
[897,0.6415,"Gaboxadol",0.0228743484642764,0.0234633013120944,0.396530924475273,0.960520418072004,0.986243756903562,1.025747305928201,0.03667536507214586]
[903,0.8473,"L-Carnitine",0.062584240486599,0.064903260791652,0.163644656564123,0.897711117897308,0.973183210578158,1.037054381215181,0.05249154839645405]
[909,0.9885,"Pyruvaldehyde",0.0671402494575539,0.139460562899735,1.64892867852062,0.000729716556708922,0.0326161188225958,2.0771528855861945,1.0546074074004579]
[911,0.8456,"4-Hexen-1-ol, (E)-",0.010342079371195,0.00809979498208632,0.961021505844975,0.232319793181851,0.59977115660988,0.7831882440049781,-0.3525689852611387]
[911,0.8528,"1-Naphthol",0.0536158985458903,0.0256790764386266,0.222612505236592,0.290032201456251,0.577167227302162,0.4789451848251253,-1.062067545619476]
[915,0.8117,"3-Methylthiopropionate",0.0594907268635556,0.040339898175606,0.733832224330385,0.351612657932253,0.723294531499909,0.6780871625274842,-0.5604573630245482]
[917,1,"1-Aminocyclopropanecarboxylic acid",0.0131123922148145,0.0128503922190359,0.698444941738258,0.956593017722977,0.986218691103197,0.9800189018535771,-0.029118519794781868]
[919,0.9943,"Caprylic acid",0.31538115414337897,0.388368062830096,0.672309486708789,0.564052472284864,0.788604167412488,1.231424445398331,0.30032811334802545]
[919,0.991,"Ala-Ala",0.0122968084500152,0.012832189182692,0.142217663788501,0.809966420886318,0.948381735176832,1.043538185932801,0.061483393643806554]
[933,0.7119,"Larixinic Acid",0.00527314935211918,0.0103667348695351,1.68970071924965,2.29379665975519E-3,0.0448459378011993,1.9659475158557576,0.9752248071183053]
[934,0.6439,"Acetoacetic acid",0.0788650034607329,0.0786884862819978,0.338036863828295,0.994346259720741,0.99833235061263,0.9977617806252556,-3.2326870748456355E-3]
[935,0.7354,"DL-2-Aminoadipic acid",3.9464296854689E-3,0.00416036410496098,0.69316881420791,0.886226891961128,0.964339598935013,1.054209611355754,0.07616175046415814]
[942,0.7067,"1-Aminocyclohexanecarboxylic acid",0.010905099230228,0.0192408110426638,0.477966241876447,0.333480141555912,0.702886579234357,1.7643866081777524,0.8191667154243901]
[947,0.7156,"N,N-Bis(2-hydroxyethyl)glycine",0.0106354895811189,0.0150241341151175,1.34534869501493,0.0726095754612018,0.27980914632135,1.4126415150450362,0.49839540050273545]
[950,0.6653,"Erythritol",0.0165986510496845,0.0465690227894829,1.87074812486565,{"v":5.72355032252117e-05,"d":"5.72E-05"},0.0079337212932178,2.805590806752219,1.4883046083456808]
[963,0.9493,"N-Acetylcadaverine",0.00490757133883454,2.52735522342041E-3,1.00543704072464,0.0699441810717956,0.325683241062986,0.5149910309853206,-0.9573807881559252]
[964,0.9979,"D-Quinovose",0.183981636953358,0.141721761600695,1.31600701771493,0.0649575559676579,0.259654187133592,0.7703038409024674,-0.3765004759631248]
[965,0.9199,"L-Glutamine",0.156868289080674,0.130444196028201,0.554765060390749,0.655333665190782,0.845684301099215,0.8315523602167699,-0.26612098658014305]
[968,0.6507,"Butyl lactate",0.0901222011057328,0.0749766176074201,0.293327864836763,0.586182377011927,0.805045629508931,0.8319439237780748,-0.26544180644135257]
[969,0.6713,"DL-O-tyrosine",0.00887642800345515,0.00578538703369205,0.361461913634898,0.422373056898609,0.774229366421668,0.6517697244251954,-0.6175657563673066]
[973,0.9948,"4-acetamidobutanoate",6.96903473045453E-3,0.00808145524536215,0.746830327538625,0.284147976024945,0.656398645022516,1.159623327753895,0.21365626101655735]
[974,0.9288,"4-Guanidinobutyric acid",0.0220147164286829,0.023237154373356,0.738656602312545,0.881563819022258,0.962191400289587,1.055528216710545,0.07796514577579161]
[976,0.9962,"L-Glutamate",1.47645372842072,0.700761688860852,1.63992677574157,0.0379539655898844,0.193709685969133,0.47462489028384086,-1.0751403345420276]
[976,0.9192,"(3-Carboxypropyl)trimethylammonium cation",0.0159403950864273,0.0102871072726766,0.860259995906169,0.227413478389486,0.594468779078311,0.6453483252391731,-0.6318500328757238]
[978,0.9945,"Acetylcholine",0.00885701555115401,0.00594466284408348,1.54050177067316,0.0802304518093241,0.356096734385227,0.6711812584893712,-0.5752256631709146]
[983,0.7832,"Coumarin",0.0078258945191731,0.00477153838516858,0.421486047884166,0.420005537417903,0.772295896354144,0.6097115637680164,-0.7138011865302356]
[988,0.9944,"L-Glutamine",0.107974454463698,0.0855195069790365,0.564778862315239,0.586571080868412,0.861651249743528,0.7920346289666964,-0.33636458636736977]
[998,0.9123,"7-Methylxanthine",0.149678944969888,0.120740454463316,0.539564047756475,0.476700607201543,0.725627859259315,0.806662917670927,-0.30996215818425793]
[999,0.7103,"(S)-2-Hydroxyglutarate",0.0457714437834647,0.0384085843533633,1.10315576257949,0.154606177577208,0.427258328970593,0.8391385802699698,-0.25301900942058114]
[1001,0.7865,"Atrolactic acid",0.952642456149585,2.51266580431117,1.49348740701646,0.00294753757299426,0.0576327948311246,2.6375748719692043,1.3992120477100713]
[1004,0.9798,"4-Pyridoxic acid",0.0631923118911881,0.0734846387181418,0.69350774412524,0.666399387767787,0.891500888461434,1.1628730856480807,0.2176936516715464]
[1005,0.9982,"L-Glutamate",0.220887198561427,0.0893804338492757,1.83294684710133,0.0253567058347739,0.173078726947965,0.4046428875524885,-1.3052788575907155]
[1014,1,"L-Methionine",0.0438014752390219,0.0503197657199796,0.647682530692389,0.687527232728813,0.868982577784918,1.1488144051173572,0.2001457445078281]
[1023,0.9149,"DL-a-Hydroxybutyric acid",0.0835124673922387,0.0676734370333581,0.171166181367114,0.683639240940171,0.900524789601015,0.8103393319168939,-0.30340192768188123]
[1025,0.9995,"3-Hydroxymandelic acid",0.0228087089760795,0.0334688098153006,0.951536679474849,0.482803218904,0.731144505013758,1.467369759963215,0.5532324590466973]
[1030,0.9935,"D-Ribose",0.0167984660692025,0.0189225885256743,0.513409927020577,0.775857686541058,0.91259177643386,1.126447405835826,0.17177995528557022]
[1035,0.9396,"3-Phenylpropanoic acid",0.0380010104049193,0.0425879819044081,0.202462115229435,0.686128785450367,0.867958798061142,1.1207065667626304,0.16440858849824547]
[1038,0.8531,"trans-cinnamate",0.0246321488324075,0.0197422061355207,0.999744903720097,0.264870888628492,0.635549056336276,0.8014812783830981,-0.31925927369570445]
[1055,0.6554,"6-Mercaptopurine",0.0248513999260644,0.0308224482369229,0.445802255397995,0.486782368143814,0.733405508694715,1.2402700986110649,0.31065433633284384]
[1057,0.9894,"L-Methionine",0.0359660933236632,0.0450169668204529,0.719213387779309,0.510682988314999,0.827724450829714,1.2516501699347717,0.32383139244304987]
[1057,0.999,"Xanthine",1.05385697711594,1.01404635600544,0.00261257590163017,0.937931444166036,0.986768102813768,0.9622238861866734,-0.05555548164958735]
[1058,0.9762,"2-Hydroxyphenylacetic acid",0.0699170895401302,0.152648372021341,1.54899698459074,0.00543952396918574,0.0729390714049905,2.1832769788525828,1.1264951677399924]
[1058,0.7071,"D-Lyxose",0.197493023352015,0.137221358598201,0.707214250333212,0.302038114884213,0.671113049348152,0.6948162333492423,-0.5252966340185866]
[1062,0.7067,"N6-Methyladenine",0.00673770679230045,0.00828528168660895,0.3857810281822,0.641253899723043,0.882765108709644,1.2296886673781946,0.2982931002119373]
[1067,0.9634,"Triethanolamine",0.0173547155074148,0.01403936901446,0.866060883902201,0.23733675596758,0.608863678761279,0.8089656674845336,-0.3058496189327836]
[1069,0.9422,"Ribitol",0.0127952970998286,0.0246960226698272,1.16706486266688,0.157126477995215,0.42839474129934,1.9300859118119276,0.9486650660355714]
[1070,0.9862,"Glycerol",0.0148744306005548,0.0153273499547593,0.143997701198121,0.830039487947485,0.943992075816904,1.030449525522517,0.04327383912095452]
[1080,1,"Methoxyacetic acid",0.0537245792005732,0.0683919270676029,0.969261788144884,0.261997894353331,0.632672999898533,1.2730100092970706,0.34824376276360425]
[1089,0.8728,"Xanthine",0.015290538339036,0.00963601535576804,0.772160555127194,0.197361066924245,0.567437329674333,0.6301946433872614,-0.6661306032921089]
[1090,0.6087,"2-Methoxybenzoic acid",0.030814698343969,0.0279573568213575,0.676278459008012,0.386414081676903,0.749343239230389,0.9072734222247957,-0.14039069800074275]
[1091,0.888,"2-Hydroxyadenine",0.0794163025406123,0.209997934761102,1.50445285090164,0.0176141753502142,0.142266213571998,2.644267336088988,1.4028680410486225]
[1095,0.7244,"N-Methylanthranilic Acid",0.0572072459350692,0.0497025685672692,0.859212940206331,0.268205713528427,0.637607778071538,0.8688159647412868,-0.20287748156844182]
[1105,0.9279,"L-Histidine",0.0284698065678282,0.0510529704782957,1.04898988414598,0.265058421186988,0.552986097950223,1.7932320810351834,0.8425622146375087]
[1107,0.9255,"Hydroxyurea",0.0265728352551868,0.029560520315075,0.416043076689582,0.565507260492257,0.853470756622318,1.1124338081050282,0.1537194955760028]
[1146,0.8598,"L-Valine",0.0561836117694808,0.0459455991252244,1.0275791172332,0.230436606565924,0.599201681142562,0.8177758189298585,-0.2902226908953601]
[1154,0.9841,"2(1H)-Pyridinone",0.0367588657532379,0.0227100584680696,0.126259279622444,0.389332871518931,0.749548968458456,0.6178117306589959,-0.6947608305859599]
[1156,0.9864,"L-Histidine",0.00893025690007344,0.00786361553179723,0.93999573469539,0.259186563261206,0.629718917516393,0.8805587140200369,-0.1835088913971006]
[1174,0.634,"3-Indoleacetonitrile",0.445282875293197,10.8926472802037,0.193031073259906,0.210121608158492,0.578514579611104,24.462308982871676,4.612488680311145]
[1192,0.6713,"Maleic acid",6.04585296969966E-3,0.00282609288652455,1.78475150950245,0.0290365643164106,0.184373221770185,0.4674432045715035,-1.0971370100169124]
[1195,0.996,"Phenylacetylglycine",0.0668497794211565,0.882275508275325,0.232918851455787,0.213925966033333,0.58143980511624,13.197882115914716,3.722234531591461]
[1202,0.9958,"Methyl acetoacetate",0.0147561412799798,0.0113227803925145,0.952095171563032,0.640319201932255,0.882585823362507,0.7673266457455603,-0.3820872409153388]
[1209,0.737,"Caproic acid",0.00649123412256958,0.00668610647832678,0.089081407744819,0.953567185127627,0.98559434399037,1.030020848436146,0.04267353899202319]
[1212,0.8339,"5-Hydroxymethyluracil",0.337992658347531,0.103768685823264,1.6222019814086,0.0229920163920753,0.151398322224603,0.3070146148457666,-1.703620760908674]
[1222,0.9042,"Acetyl-DL-Valine",0.048228858607025,0.0162276904289715,1.86534620591938,0.0124603560879504,0.113977470408562,0.336472620287302,-1.571438981382595]
[1227,0.6593,"DL-Norvaline",0.00682930315789218,0.0113695473701078,1.11978128424757,0.334898865067173,0.702886579234357,1.6648180798605718,0.7353645378838384]
[1240,0.636,"DL-2,4-Diaminobutyric acid",0.00142038841520789,0.000930798540278992,0.914207437475816,0.275713364814588,0.643388654611644,0.655312680892824,-0.609744645435852]
[1243,0.813,"Cyclohexylamine",0.0153575191897055,0.00884102444592251,0.909516950213769,0.116689498157889,0.448346430022421,0.5756805078159273,-0.7966597305630448]
[1251,0.9996,"D-Alanyl-D-alanine (D-Ala-D-Ala)",0.0377685752677734,0.0400018025196598,0.520862660232715,0.898255054992163,0.96636155766918,1.0591292426588284,0.08287864822168924]
[1253,0.7753,"D-Alanyl-D-alanine (D-Ala-D-Ala)",0.0213745927254279,0.059066634965232,1.58939070824668,0.0331440105173341,0.175367968073005,2.7634039966976514,1.4664464928147658]
[1253,0.8946,"DL-Homoserine",0.0685006194532082,0.0717988240284238,0.081620526013429,0.92583056914884,0.978493999357254,1.048148536488324,0.06784318030123655]
[1255,0.9898,"N6-Methyl-L-lysine",0.00684614320207123,0.00674165605357056,0.0535472066277788,0.974981183691112,0.990369838225132,0.9847378085125273,-0.02218844413704595]
[1259,0.8829,"(R)-2-Hydroxycaprylic acid",0.0232674395228572,0.0300924731012843,1.39030620234581,0.025958395597497,0.156497419423389,1.2933298084528124,0.37109021973152223]
[1269,0.9511,"L-Carnitine",0.210705861199907,0.146782747292702,1.61128971853651,0.067428874021421,0.320229656752571,0.6966239403916817,-0.5215480410111536]
[1279,0.6412,"Deoxygalactonojirimycin",0.00509719847085694,0.00866393726086386,1.58128987382716,0.00618336776634098,0.07710249585344,1.6997449305534458,0.7653182669306471]
[1283,0.905,"Nicotine",0.0154872681423632,0.0175803724577067,0.665499194511306,0.723190388511584,0.915803991635892,1.1351500016725424,0.18288295158685305]
[1298,0.814,"Dimethylaminopurine",0.00515913325225897,0.0043033136912833,0.483757731793501,0.685716082507664,0.901632394658043,0.8341156316129377,-0.261680699717428]
[1300,0.9415,"D-Fructose",0.0400127624786071,0.0282064757524174,0.790276668393636,0.336754723698532,0.618952046219787,0.7049369752337906,-0.5044338155066153]
[1301,0.932,"3-Hydorxy-3-methylglutaric acid",0.0246653566591328,0.0257104971084086,0.290229203142704,0.714692682502601,0.878424391171471,1.042372809107093,0.05987135598146859]
[1303,0.8148,"Butyl lactate",0.00366881728562995,2.05070622182842E-3,0.977463765735835,0.110344420583278,0.432262273676234,0.5589556694089513,-0.8391942269529657]
[1312,0.7896,"trans-2-Hydroxycinnamic acid",0.0481663270441091,0.0257902746024192,1.57188983337637,0.0269263050271457,0.177924952417361,0.5354420024346331,-0.9011977801011412]
[1325,0.8241,"DL-Methionine sulfoxide",0.00389642317321481,0.00496039201275301,0.0960457402758847,0.70316699130252,0.905121482189136,1.2730629585749933,0.3483037686327624]
[1327,0.9981,"(S)-Citramalic acid",0.0567006767518609,0.0710865536584765,0.987373655270716,0.309855382075726,0.684263968750561,1.2537161411595228,0.3262107388108524]
[1328,0.9524,"D-Arabinono-1,4-lactone",0.149202863045002,0.181754511950876,0.776914854313332,0.436948924185194,0.782822647811778,1.218170403982502,0.28471595901185387]
[1329,0.6478,"(S)-2-Hydroxyglutarate",0.0107903612232477,0.0240297257184649,1.55681849926727,0.0192304122081387,0.14936725344425,2.226962121221035,1.1550770192881097]
[1332,0.9989,"L-Phenylalanine",0.738555684754776,0.575779499474396,1.03689701874992,0.241544614995917,0.610914188470801,0.7796020142551244,-0.35919027680037796]
[1342,0.6166,"Glyceric acid",5.22759037581828E-3,0.00631921487677308,0.484991170016277,0.577264527858094,0.856156937613403,1.2088198237575045,0.273599224948715]
[1344,0.9366,"4-Methoxyphenylacetic acid",0.0103021748011283,0.0127561788167859,0.776597900213134,0.445235378193119,0.7842758079218,1.2382025216062957,0.3082473024531492]
[1351,0.8828,"D-Arabinono-1,4-lactone",0.0117776399836476,0.0130395050546404,0.415446582166138,0.642259203569004,0.836594774012185,1.1071407406530347,0.14683863037236441]
[1352,0.977,"L-Phenylalanine",1.64927568596448,1.32817456934843,0.753235225218288,0.32582778661384,0.613005083233947,0.8053077970234713,-0.31238779319191035]
[1355,0.949,"Pyridoxal (Vitamin B6)",0.0805115508810349,0.080761978581638,0.0150734359310799,0.995137278946084,0.99833235061263,1.003110456796108,0.0044804760378285]
[1360,0.9483,"Acetohydroxamic acid",0.0084619363818417,0.00868039758951967,0.587842683291425,0.958205737465277,0.986218691103197,1.025816928634297,0.03677328482641387]
[1369,0.9926,"Norharmane",0.137926315253521,0.0315935150261966,1.87350666754285,0.0104096144502951,0.100310830157389,0.22906082112122603,-2.126197375693662]
[1371,0.9341,"Pyridoxamine (PM)",0.00805331903144349,0.00874200221780575,0.63438294006468,0.818032244494257,0.951896374314979,1.0855154481864377,0.11838025737947669]
[1384,0.9435,"DL-3-Phenyllactic acid",4.43818127459359,10.8902459261638,1.45466273398392,0.00611175527093059,0.0779933721508281,2.4537632089309005,1.2949960339299849]
[1385,0.9819,"Pyridoxine",0.0346633359037528,0.027997294641592,0.983206603691017,0.25367189874045,0.623624504134094,0.807691871299695,-0.30812307484434787]
[1388,0.8994,"Diphenylamine",0.0138379059485204,0.0104698035079343,1.42397847396011,0.0425984897729922,0.235467725677705,0.756603170081075,-0.4023912737595698]
[1441,0.996,"Glycerol 3-phosphate",0.0113728132104103,0.0131654840541271,0.766825089856829,0.698492943079476,0.904336335477436,1.1576277399927617,0.21117139839769342]
[1445,0.7701,"N-Carbamylglutamate",0.00394698600500846,0.00668992241436174,1.15246078217292,0.31534447652124,0.690178752980756,1.6949445490489903,0.7612380756503389]
[1446,0.7007,"L-Kynurenine",0.0213945234906762,0.0444231823016627,1.6628908802093,0.0335564856853035,0.200551544489282,2.0763810103563403,1.0540711986649505]
[1447,0.9416,"N-Acetyl-L-alanine",0.0171211134561816,0.0139345291501034,1.00973084518197,0.262970075984463,0.632672999898533,0.8138798440747625,-0.2971122747850976]
[1448,0.9702,"Gly-Pro",0.0103703756512742,0.00832125757703808,0.915242047740607,0.2279566738863,0.594468779078311,0.8024065720334493,-0.3175946726346299]
[1449,0.9582,"Pro-Gly",0.00678331263805205,0.0167100195694834,1.6985960389117,0.000692546900318489,0.0249593902874783,2.4634010639205894,1.3006515307297097]
[1451,0.6532,"L-Isoleucine",0.016859434921361,0.0154932210203362,0.682902053977362,0.433312149752668,0.782822647811778,0.918964431050189,-0.12191907248140683]
[1475,0.9999,"Glycerol 3-phosphate",0.170397891590167,0.222251603815974,0.695256644612472,0.448089512149211,0.703119181297965,1.304309588234361,0.38328634533531997]
[1484,0.9978,"Indoleacetic acid",0.018727582547006,0.00685284756345102,1.28573383644533,0.027915058717824,0.180945812264456,0.3659226996463883,-1.4503891802994904]
[1488,0.6026,"Theanine",0.00656865765799284,0.00648990627062813,0.681775010883064,0.973989803778887,0.990369838225132,0.9880110379524979,-0.01740093535435563]
[1491,0.9676,"N2-Acetyl-L-ornithine",0.020598486089714,0.015870013602682,0.684531000807409,0.443203912982754,0.784146344037151,0.7704456304974182,-0.37623494396086254]
[1492,0.9982,"L-Arginine",0.612029618252035,0.566603418033558,0.582008562393986,0.870403330041239,0.958450100306661,0.9257777746962397,-0.11126216686589827]
[1505,0.9908,"L-Citrulline",0.272134893664531,0.244557956004915,0.628602278322616,0.442288636686042,0.784146344037151,0.8986644553799451,-0.1541455541453523]
[1520,0.9877,"Ser-Ala",0.016557147300083,0.0186251567728909,0.523734639778113,0.742364232689436,0.92513163714133,1.1249013151436742,0.16979844286664056]
[1524,0.9797,"Serotonin",0.00511570614361952,0.00409023586367249,0.669091278634831,0.539793070397243,0.838664907271304,0.7995447253697261,-0.32274935666098853]
[1534,0.7869,"Iminodiacetic acid",0.00546783082192577,0.00395245969779333,0.495910953467847,0.483499287630454,0.808974666954575,0.7228569841524968,-0.46821785388446474]
[1542,0.9666,"2-Hydroxyadenine",0.0129621926120218,0.0108625329955583,0.406255604951313,0.423562968565421,0.688082944736563,0.8380166319611569,-0.2549492177768534]
[1544,0.996,"Acetyl-DL-Leucine",0.0466806907376757,0.090924098601751,1.62598630724255,1.02487256375619E-3,0.036855640724156,1.9477882003225526,0.9618368093725563]
[1558,0.9982,"Pelletierine",0.00579538027139097,0.0029846966674259,0.901937182966375,0.0609231873034613,0.299985100698859,0.515013084156,-0.9573190097620098]
[1563,0.6276,"Oxypurinol",0.0860924200849879,0.0412665273460774,0.786167722701871,0.0385898277426255,0.194266197680452,0.4793282301199142,-1.060914184651632]
[1569,0.685,"Shikimate",0.164927046462592,0.109173554573356,0.625656420222634,0.419822709871648,0.686010270927995,0.6619505830907986,-0.5952045760284789]
[1571,0.9651,"Dihydrouracil",0.0251010093031534,0.0180541620071127,0.47944148237651,0.554710173041343,0.780918419907614,0.7192604006104483,-0.475413917190956]
[1575,0.9301,"N2-Acetyl-L-ornithine",0.0198419877906882,0.024352875447952,1.12325572150833,0.100706455354099,0.343334008186803,1.2273405116890934,0.29553556389276725]
[1592,0.9992,"Indoleacetic acid",0.0228723111640064,0.0189718186916085,0.611698865553019,0.370209431525388,0.643178929917488,0.8294666225713119,-0.2697441660506138]
[1597,0.9837,"L-Citrulline",0.148983752980602,0.141801320898861,0.280561644586522,0.718599825965705,0.880147645759104,0.9517905010576811,-0.07128403852444874]
[1599,0.6642,"Hydroxyphenyllactic acid",1.08821138231147E-3,0.000802520675231561,0.256506106638594,0.557785001567117,0.848987122646678,0.737467635678398,-0.43934835789272836]
[1600,0.978,"L-Tyrosine",0.0392338400411632,0.030989784751913,0.536701818259534,0.574783656995096,0.854587582430003,0.7898738619365137,-0.3403058128486819]
[1601,0.9997,"Pargyline",0.00370520176219073,0.00146010003062989,1.23216030650643,0.0740829499179727,0.339688233466124,0.39406761745859537,-1.343484894133708]
[1602,0.7087,"3-Hydroxyisovaleric acid",0.00955191755493782,0.00442009763646992,1.15382882253168,0.133853798162503,0.475748608064754,0.46274453386429937,-1.1117121464197013]
[1608,0.9795,"2-Phenylbutyric acid",0.0671493190180077,0.0377588148112495,1.00917944362412,0.335506643800609,0.702886579234357,0.5623112097551364,-0.830559287388077]
[1614,0.9005,"5,6,7,8-tetrahydro-2-Naphthoic Acid",0.0535171743253848,0.0525400014900741,0.585847794088318,0.960967881899383,0.98982376103463,0.9817409486276408,-0.026585703172377493]
[1620,0.6954,"N-Formylmethionine",0.00972478917296631,0.00769251574367504,0.587140845733591,0.366074028511799,0.641281700777795,0.7910213380316012,-0.33821148254433653]
[1629,0.7327,"Acetyl phosphate",0.0199362250133518,0.0226552728291808,0.160123909363379,0.780290113473978,0.914887056736183,1.1363872956895291,0.18445460803382122]
[1630,0.9734,"Phosphorylcholine",0.0833226726357471,0.104321629856937,0.721108672143765,0.52985814089169,0.837614716702686,1.252019727127439,0.32425729390368846]
[1635,0.8728,"L-Gulonic gamma-lactone",0.0430024079542436,0.0549153381315831,0.900633568073346,0.205368504104642,0.487848410399414,1.2770293744949206,0.3527917105932977]
[1635,0.9162,"P-Fluorophenylalanine",0.0336517692470778,0.0268469423885413,0.35573824149463,0.579986996436632,0.858075999654196,0.7977869511533213,-0.3259245684293827]
[1637,0.6017,"Beta-Alanine",0.11025767789251,0.0889392751332543,0.410756468128535,0.669352229952859,0.857026509705266,0.8066492677268338,-0.309986570950529]
[1641,0.8567,"3-Nonen-1-ol, (Z)-",0.099408069912658,0.0680664900005952,0.950474808985652,0.170335096771905,0.532651423384529,0.6847179515747547,-0.5464182581424701]
[1644,0.9763,"Hippuric acid",0.0191863071742623,0.106303095591182,1.78192883441471,0.00113055628111232,0.0370153969989031,5.540570919962314,2.470034644317844]
[1663,0.8469,"myo-Inositol",0.450386337059157,1.01855140496128,1.71581669239118,1.06602478996342E-4,0.0145549130990207,2.26150600307286,1.1772838255479006]
[1666,0.8436,"Jasmine lactone",0.149797615032022,0.123964992652234,0.470507834386705,0.487499163045317,0.811148191881497,0.8275498420033871,-0.2730818891358998]
[1667,0.7746,"D-Mannose",0.00623837126843773,0.0173250454017437,1.78004582176072,1.84355890104234E-3,0.0429091014348124,2.7771744668993383,1.4736178125993644]
[1672,0.9384,"Allocystathionine",0.0110767999291319,0.00783127504503055,0.684539660501769,0.345431295991385,0.717128105272437,0.7069979682881476,-0.5002220257435305]
[1676,0.9989,"Imidazoleacetic acid",0.0035218657971563,0.00402427161356611,0.488297903886944,0.775107359509036,0.930541946592461,1.1426533108716046,0.1923877460233837]
[1677,0.8417,"L-Cysteine",0.050122215961841,0.0333452992963025,0.829177318846834,0.295577015050938,0.583204025140297,0.6652798296405912,-0.5879668010119221]
[1678,0.9793,"Pro-Ala",0.0689083108037566,0.19365152206123,1.86718654693502,0.00363928095349196,0.0555761379507839,2.8102781769346885,1.4907129434785311]
[1679,0.9506,"Ala-Pro",0.00917749694768422,0.0256387882055412,1.69364861663514,0.0326225527322794,0.19860081089043,2.7936580476892123,1.4821554412575795]
[1695,0.7575,"DL-Indole-3-lactic acid",0.123239378440937,0.0383504349910206,1.75445609992495,0.0422035196990236,0.234724513881606,0.31118653368898813,-1.6841484645133524]
[1697,0.6635,"2-Methylglutaric acid",0.0108406239313987,0.00488568374724262,1.08975414633494,0.121512447859504,0.460246985893294,0.4506828922541777,-1.1498154079326]
[1697,0.8915,"L-Iditol",0.102982014308942,0.0954235713173168,0.27076673871425,0.651245646336186,0.842620463461293,0.9266042420868739,-0.10997480769890318]
[1703,0.949,"L-NG-Monomethylarginine",0.0636464505415089,0.0969012062859122,0.764289754812392,0.307349458239123,0.679562851223189,1.5224919137119082,0.6064345656825373]
[1711,0.6101,"N-Acetylglutamine",0.00878554782216617,0.00729572098875463,0.602930350838619,0.656135248558486,0.887173217090395,0.830423001095883,-0.2680816908021164]
[1716,0.9966,"Val-Ala",0.0386000632869886,0.04404733883777,0.0990456276190994,0.795824846667641,0.939761712775288,1.1411208968825077,0.19045164709823442]
[1717,0.9938,"N.alpha.-Acetyl-L-lysine",0.0287203402074966,0.0275120374733723,0.604383920094719,0.904720547202795,0.96732330699241,0.9579286761439926,-0.06200985270877644]
[1718,0.9886,"Ile-Gly",0.00282412408586043,2.83559206519193E-3,0.492666218868003,0.99171019319707,0.99833235061263,1.0040607207696421,0.005846519193393814]
[1720,0.9987,"N6-Acetyl-L-lysine",0.0829865239491677,0.0662514662030002,0.5571499884369,0.603907686011285,0.868338901138822,0.7983400563154285,-0.3249246954835975]
[1730,0.9704,"L-Pyroglutamic acid",0.00225076476695174,0.00199172104587308,0.554503869750778,0.7544793460034,0.930541946592461,0.8849085764615515,-0.17639968274108198]
[1745,0.9997,"Quinaldic acid",0.485862549670081,0.314270260547434,1.625198546454,0.0196789676527711,0.151170069037066,0.646829562724757,-0.6285424775758671]
[1745,0.9628,"Pyridoxal (Vitamin B6)",0.0257018155871252,0.0235914481939328,0.401015810479339,0.596366453128173,0.812976449504673,0.9178903379008936,-0.12360629246498994]
[1747,0.7455,"Thr-Ala",0.0421371004910353,0.0311926451448756,0.655931371638219,0.363790233380021,0.733277405537805,0.7402655802458894,-0.433885145003698]
[1749,0.914,"Ala-Thr",0.00242332251156041,0.00632939159664711,1.61972768454154,0.0304232669466849,0.190356691103911,2.6118651423625536,1.385080408573673]
[1762,0.9598,"N-Acetyl-L-methionine",0.00301591247137157,0.00556770142334341,1.72423483517853,0.00316422568874579,0.051835769919272,1.846108425292377,0.8844872875654739]
[1771,0.6025,"3-Phosphoserine",0.0421937075642711,0.0331587392148423,1.35467087095452,0.0423655232363037,0.200285726838295,0.7858692949495756,-0.34763871014951764]
[1778,0.9993,"Thymine",0.0239653525773779,0.0176245110000299,0.465744780539067,0.538584871745066,0.768290798669218,0.7354163033122475,-0.44336693514379466]
[1810,0.673,"Gly-His",0.0112402226134012,0.00855415021204903,1.28385271502641,0.126797078440194,0.464122752527715,0.761030319973406,-0.39397416204698327]
[1817,0.8695,"alpha-N-Acetyl-L-glutamine",0.0376752365974738,0.021880874436014,1.38574560946642,0.10940675774494,0.356815332982371,0.5807760325380719,-0.7839461774557882]
[1823,0.8856,"Azelaic acid",0.059787004515104,0.0638237937770749,0.381315472377379,0.746072851650471,0.896927408783444,1.0675195102131447,0.09426243708748572]
[1837,0.9044,"N-Acetyl-L-glutamate",0.079636642907773,0.0432770613183489,1.56473676341432,0.0571884450872492,0.238492544860787,0.5434315126576589,-0.8798298675005713]
[1843,0.9119,"Glycyl-L-leucine",0.00873544234625672,0.0209265280042869,1.42995685844897,0.0215350068080337,0.145707041476375,2.395588817921082,1.260380303263195]
[1861,0.9954,"N-Acetyl-L-Histidine",0.0515578981459474,0.0431839860420371,1.01353950930364,0.282704117662802,0.653957406968382,0.8375823607043509,-0.25569703513096403]
[1869,0.8916,"9-Decen-1-ol",0.128541929337778,0.0845657548489135,0.971528328009445,0.143486636046627,0.491034056827874,0.6578845928684839,-0.6040935685242227]
[1872,0.6229,".beta.-Citronellol",0.0155713922453112,0.010318941094396,0.413209781143667,0.531674773206819,0.837614716702686,0.6626858364256543,-0.5936030098427681]
[1873,0.9981,"N-Acetyl-DL-methionine",0.301488343175808,0.658393057381391,1.59869845054094,1.34466928965314E-3,0.0381420615815074,2.183809332215076,1.1268469004538282]
[1877,0.9337,"DL-Homocysteine",0.314029615885862,0.152339249584926,1.29214093456999,0.381193713718094,0.748269141742925,0.4851110910516657,-1.0436129307693498]
[1888,0.7173,"D-Galactarate",0.0945923942657674,0.0717488381431971,0.931903543074627,0.159022273218478,0.429648479161697,0.7585053608180283,-0.3987687179770127]
[1891,0.922,"Quinate",0.0678483745072234,0.0414315080448363,1.61217495103073,0.0236529716921748,0.152412377482576,0.6106484988881398,-0.7115859191540136]
[1904,0.9794,"p-CHLOROPHENYLALANINE",0.0251465881538347,0.0238325938707681,0.0122697575400031,0.913416763697629,0.969933416725473,0.9477466177507574,-0.0774266920674558]
[1915,0.7711,"Scytalone",0.0113814010975018,0.00939981144497798,0.733982229848615,0.591840922612789,0.807553525304221,0.8258922925615217,-0.2759744477696679]
[1936,0.8638,"Sarcosine",0.00421662701481696,0.00623460540207816,1.36826971173333,0.0756500146795901,0.344223895784974,1.4785764498899598,0.5642088400261752]
[1952,0.9428,"2-Phenylacetamide",0.00725685509755255,0.00721360888759359,0.126931934318069,0.9611173108642,0.986294643608934,0.9940406402804508,-0.008623258861866375]
[1953,0.9444,"3-Hydroxybenzoate",0.282928840074872,0.209044510417702,0.6974423775631,0.366881441992893,0.734744748095395,0.7388589666659013,-0.4366290857384725]
[1958,0.6291,"Simazine",0.0336415984815819,0.037685330296802,0.783891863067165,0.787937826288001,0.938442804343012,1.1202003471218516,0.16375678045280634]
[1959,0.8192,"Carbaryl",0.00482324821404016,0.00237999897996621,1.1665960415011,0.298443552809222,0.668068673493439,0.49344318897754186,-1.019044100779846]
[1960,0.93,"Pimelic acid",0.0120261499790077,0.00640911199162534,1.8180766218501,0.00272635601594947,0.0476979955411742,0.5329313207313059,-0.9079784711422156]
[1960,0.9022,"Galactonic acid",0.282977521246967,0.327303904308841,0.57239357075363,0.358881031671395,0.634711656732983,1.1566427710107348,0.20994335703879055]
[1980,0.9639,"N-Acetyl-L-Histidine",0.027779922714033,0.0270488919391107,0.141047516401744,0.865561128062532,0.961372487870659,0.9736849240925706,-0.03847309053332339]
[1985,0.9542,"Ser-Asp",0.0548025489345146,0.0183332666085027,1.24147492795266,0.0287420766956054,0.184373221770185,0.3345331004659972,-1.57977912911612]
[1988,0.9627,"Pro-Ser",0.00871445278389463,0.00565512108598242,0.795244394806215,0.39622135640848,0.756346275686526,0.6489358799939535,-0.6238521593204807]
[1992,0.9524,"Ser-Pro",0.00951302564050209,0.0171200110691482,0.533360098960209,0.515756823607739,0.829685215164086,1.7996389073376466,0.8477074627477036]
[1996,0.9885,"Ala-Leu",0.0113541275818352,0.0522691874594703,1.77121150829819,0.0168675911150639,0.140070964006199,4.603540613995979,2.20274387452645]
[1997,0.9942,"Ile-Ala",0.265279676661313,0.257378099123768,0.568150632850969,0.943948775678983,0.984134431199355,0.9702141617594284,-0.04362485686052173]
[1999,0.9839,"NG,NG-dimethyl-L-arginine(ADMA)",0.0216632615233156,0.0195902713999634,0.508840212196041,0.438189098793255,0.783515267539723,0.9043084938470094,-0.1451130804097822]
[2009,0.6674,"Gly-Gln",0.00356557865483662,0.00319185377098985,0.580089142773108,0.770088222539889,0.930541946592461,0.8951853485717328,-0.15974167085621038]
[2013,0.9995,"Acetylcarnitine",0.0597190541909846,0.0549495306106934,0.703994628193795,0.830034409466911,0.957187863971189,0.9201339732367828,-0.12008415931283582]
[2017,0.9291,"Gly-Lys",0.026656449161605,0.0258337737425358,0.581615105342673,0.934246532922684,0.98163979727503,0.9691378467521417,-0.04522621079323499]
[2026,0.9769,"L-Tryptophan",0.02152413322046,0.0246748397104084,0.677435741403401,0.697946058087356,0.904336335477436,1.1463801797581081,0.1970855715760277]
[2045,0.9813,"Pantothenol",0.0292943509495374,0.040071030625232,0.726072630118656,0.60506962062448,0.868338901138822,1.3678756936536522,0.45193713059090984]
[2047,0.6518,"Ala-Val",6.11994248184187E-3,0.00628832846990609,0.137531467830255,0.84931550153268,0.957187863971189,1.0275143089275476,0.03915848468561993]
[2054,0.9116,"Thr-Ser",0.00297289237477809,4.16556323485936E-3,0.361021073017631,0.487476338697776,0.811148191881497,1.4011819836465813,0.4866443432448815]
[2070,0.8441,"Cyclohexylsulfamate",0.0117100320579654,0.0102586426398226,0.505610148572644,0.784962684322742,0.91809875218306,0.8760558971181008,-0.19090517035507457]
[2074,1,"Dihydrolipoate (dihydrolipoic acid)",0.0422792757870779,0.073194330220796,1.01781643712655,0.150199737914924,0.497374929795993,1.7312105956925323,0.791781234167784]
[2074,0.7565,"Ethosuximide",0.109546516362898,0.0944217318185676,0.341089362225382,0.506874090845529,0.741942025631074,0.8619327656734781,-0.21435275737403273]
[2088,0.9984,"4-Hydroxycinnamic acid",0.0373643819545822,0.0114777928855255,1.65913819767065,0.0400461357418253,0.194346637484363,0.30718540720082527,-1.7028184122236483]
[2090,0.899,"(R)-3-Hydroxybutyric acid",0.00662450120748943,0.00550160908712496,1.05984193816609,0.19644188346209,0.567437329674333,0.8304940877518496,-0.26795819714094843]
[2096,0.9383,"3-Methoxytyramine",0.0272003651455574,0.0190097890132069,1.76056152037557,0.00682142942965169,0.0808698410015285,0.6988799198643016,-0.5168834989407534]
[2100,0.8844,"Sebacic acid",0.00905057681385288,0.00817730117407646,0.688806772959589,0.775832888739656,0.91259177643386,0.9035116039853086,-0.14638496484944685]
[2103,0.8816,"Spermidine",0.00239616887587865,0.00329491624282908,0.765035049624067,0.474663028843989,0.801649208010453,1.37507680531109,0.45951220303496815]
[2108,0.9982,"DL-Phenylalanine",0.00492400518147981,0.00484462646120343,0.049188826132503,0.974261438638948,0.990369838225132,0.9838792370538236,-0.023446847204361413]
[2117,0.9535,"(+)-Methamphetamine",0.0339952610333304,0.0213128515059674,1.07722500057629,0.167937640497705,0.528138967149852,0.6269359568991506,-0.6736100192970701]
[2118,0.7675,"DL-O-tyrosine",0.00770360487119474,0.00622488381888084,0.0693378092163023,0.669102202366606,0.857026509705266,0.808048170040091,-0.30748679620914104]
[2127,0.6745,"L-Serine",0.0285704539969473,0.0230606460571918,0.582578941823997,0.389749385381554,0.749550045312231,0.8071501439793637,-0.3090910300256961]
[2138,0.924,"L-Tryptophan",0.107121441001269,0.0593509339813403,0.421066106488523,0.326590970644483,0.613325598540692,0.5540527967751779,-0.8519046348287262]
[2148,1,"Pectin (Galacturonic acid)",5.19008660442467E-3,0.00526984409070898,0.618057520355645,0.97227774542187,0.990369838225132,1.0153672746455358,0.02200166777282321]
[2151,0.8335,"Indolelactic acid",0.0955319743474731,0.0507804487274494,1.25306366196661,0.123434324387776,0.379447103659271,0.5315544776950649,-0.9117105373306361]
[2155,0.855,"Pantothenol",0.0450765353274959,0.0706642046293203,0.725490383609076,0.454000771608612,0.707128973730415,1.5676494237172742,0.6486029630156345]
[2157,0.6333,"(R)-(+)-Citronellic acid",0.0560983164545796,0.0398419669522579,0.944647329395847,0.297992386830197,0.668068673493439,0.7102168027540761,-0.49366860194157386]
[2179,0.8667,"N-Acetyl-L-phenylalanine",0.0298658209684213,0.0566423851687652,1.38036487061107,0.0231607227874668,0.15183140494006,1.896562134644019,0.9233866375822558]
[2224,0.9731,"Pro-Val",0.0225585773770357,0.201809278930714,1.89142705835537,0.00210424453168477,0.0442071386869698,8.946010892342567,3.1612445149174095]
[2225,0.9981,"Acetyl-DL-Leucine",0.0225060780901319,0.0236901452063321,0.534672970392639,0.86684147822547,0.958450100306661,1.0526109929707996,0.0739723668458918]
[2226,0.7887,"Val-Pro",0.0202867976206135,0.0290226763513298,0.424112690364108,0.507525823841522,0.82541654743901,1.4306189125601438,0.5166394189689204]
[2236,0.9777,"sn-Glycerol 3-phosphoethanolamine",0.00485456497600915,0.00232348476259596,1.69481216843227,2.46996416974672E-3,0.0449753934338864,0.4786185320576459,-1.0630518359339616]
[2244,0.9979,"Lys-Ser",0.0120610970531641,0.0086907950470514,0.71338085633925,0.33122084981854,0.702886579234357,0.720564224692269,-0.47280106973977337]
[2256,0.8852,"N1-Methyl-2-pyridone-5-carboxamide",0.0163845320077748,0.00727192385216085,1.47440056738445,0.0871528623634783,0.313737075414735,0.4438285969175178,-1.17192546813223]
[2263,0.9984,"Glycylproline",0.0546002231460738,0.0201861829636191,1.14832794655441,0.0575369014121607,0.289613118281323,0.3697087997170695,-1.43553871228433]
[2268,0.952,"Pro-Thr",0.0325279232455168,0.0345048479302831,0.567222562152506,0.879152477168333,0.960723325565395,1.0607762343093565,0.08512035870405868]
[2269,0.8944,"N-.alpha.-Acetyl-L-arginine",0.739565134050744,0.485147181530216,1.58966452267081,0.0658094516557505,0.316236351689766,0.6559897961562483,-0.6082547208203296]
[2273,0.9985,"Val-Val",0.00336914105903466,0.0154229929823308,1.73148337922472,0.0308980360970836,0.191994003610154,4.57772254473366,2.1946300239536396]
[2281,0.9996,"N-Desmethylselegiline",0.0461654016322524,0.0255664912127535,0.84430247909644,0.179736646176392,0.545261677457674,0.553801988259798,-0.8525578616097466]
[2282,0.8919,"Ala-Gln",0.020681782795373,0.0359293455766636,1.51656461888788,0.054542250723373,0.280014631918855,1.7372460552434503,0.7968021049632724]
[2286,0.6567,"Thr-Val",0.07265695372591,0.0492115676459718,1.61919306112453,0.0499620563656692,0.263250367166479,0.6773139406809813,-0.5621034048373056]
[2289,0.844,"Ala-Lys",0.124799839446065,0.14867820660033,0.535918195769011,0.690940227829535,0.902017665126951,1.1913333162947262,0.2525771130246316]
[2294,0.7502,"Dodecanoic acid",0.101632601323781,0.0883507113237036,0.830750436555561,0.325912832853673,0.696312580393203,0.8693146704199377,-0.20204960337028843]
[2300,0.9008,"5-L-Glutamyl-L-alanine",9.79119839922429E-3,0.0136510173869069,0.433186225631879,0.493756181640055,0.814539677774559,1.3942131320705753,0.4794511215202773]
[2302,0.9949,"Phe-Ala",0.0327126314143096,0.0326791436702704,0.32252568559131,0.996532851566009,0.99833235061263,0.9989763054027947,-1.4776355716554417E-3]
[2306,0.9242,"Leu-Ser",0.0211246104544017,0.0944406745369719,1.74627522265147,0.0244463740062037,0.170086355054746,4.470646913978642,2.1604836081558414]
[2308,0.9848,"Val-Thr",0.031132737816517,0.0423200642402468,0.843879936091277,0.388394331543387,0.749343239230389,1.3593428399925218,0.4429093642572675]
[2314,0.9765,"sn-Glycerol 3-phosphoethanolamine",0.0356646702910046,0.0277665733707355,0.49880615389452,0.560580541792004,0.785238650658315,0.7785456347745582,-0.3611464889377371]
[2325,0.97,"Pantothenate",0.115243101384501,0.0357886433465535,1.88278136169283,0.00347354154755015,0.0544002914003471,0.31054911675057284,-1.6871066303433824]
[2341,0.8932,"Met-Ala",0.0357296998165931,0.0237822324329355,1.02404925649051,0.266717253485574,0.636588729511265,0.665615232006256,-0.5872396462514374]
[2342,0.9237,"Ala-Met",0.00453225700963532,0.00366190530551944,0.657299558606681,0.544170164039667,0.842435253951444,0.8079650597339114,-0.30763518958175534]
[2345,0.9579,"Thr-Thr",0.00854340805278041,7.88320870275519E-3,0.475878883412226,0.884283365387172,0.963991908304709,0.9227241229791943,-0.1160287210163873]
[2346,0.9542,"N-.alpha.-Acetyl-L-arginine",0.0151844583071185,0.00998568236161385,1.26352254304754,0.150741480998878,0.423258644678111,0.6576251954231745,-0.6046625212087987]
[2354,0.7828,"Methacholine",0.0338135921544537,0.025427946703546,0.522480283878149,0.480360847163947,0.805218834036682,0.7520037086682847,-0.411188318005528]
[2376,0.933,"4-Hydroxycoumarin",0.017549707458413,0.0180213884430936,0.247149601765065,0.947769762948731,0.985584963733298,1.0268768573948215,0.03826318469634736]
[2379,0.9929,"Phe-Gly",0.00416522005885647,0.00847824780363044,0.178263656411285,0.30141031647423,0.671113049348152,2.035486164915397,1.025373415594465]
[2384,0.7658,"5-L-Glutamyl-L-alanine",0.0201300078934905,0.0484289858381971,1.71463728930752,0.00709554850089135,0.0844866664487322,2.4058105736688624,1.266523053491935]
[2408,0.87,"Pantothenate",1.15593604558269,0.476970906866843,0.4084471197809,0.183665064686281,0.463018527241985,0.41262741886936244,-1.2770884041705897]
[2413,0.7748,"Cuminaldehyde",0.0414890911210491,0.0228564611755519,0.563169979471299,0.38781067311083,0.749343239230389,0.5509029134638211,-0.8601300022354169]
[2420,0.7109,"His-Ser",0.00388168202220207,0.00446556651531506,0.480941449658491,0.745423034479577,0.927660433792954,1.1504204851848616,0.20216127074683868]
[2422,0.999,"N-Acetyl-L-phenylalanine",0.0120801965467642,0.0116805697744015,0.592105498555432,0.933962665138565,0.98163979727503,0.9669188517905577,-0.04853327760697621]
[2423,0.9945,"3,4,5-Trimethoxycinnamic acid",0.00985903969318148,0.0170022740724965,1.6162721000399,0.00389030596777231,0.0630571571699358,1.7245365270468773,0.786208686543793]
[2432,0.7071,"BHT",0.0476195797407098,0.029334318065002,1.03686574753302,0.170196294153839,0.446863083585893,0.6160137956850593,-0.698965434318558]
[2436,0.9075,"Cytidine",0.0116577241418999,0.00929068711394519,1.16909595935352,0.19314433316328,0.562271548239468,0.7969554778323186,-0.3274289650312867]
[2457,0.7259,"Dimethyl sulfone",0.027200927179615,0.0219495351283603,0.664658453537692,0.572312991158649,0.853946055460007,0.8069406966689645,-0.30946544339838467]
[2461,0.9924,"Uridine",0.0151892351018941,0.00748239045152217,1.76345182738188,0.0110759966033602,0.104497098844268,0.4926114054676206,-1.0214780638408125]
[2462,0.828,"Gly-Glu",0.00757020225323046,0.0237624889811754,0.85818166962193,0.135527972619994,0.479415730149316,3.138950345882126,1.6502822075386308]
[2463,0.645,"N-Acetylmannosamine",0.013741193250509,0.0370495460565723,1.69021344863101,0.00232859206594113,0.0477037957953217,2.6962393571751795,1.4309485766686616]
[2469,0.6525,"Dexpanthenol",0.0857870513125292,0.0828331611935408,0.166085472256161,0.809968546168697,0.93263357189604,0.9655671797340704,-0.050551456117968636]
[2469,0.8169,"Glu-Pro",0.0114100283736641,0.0111554467275866,0.00435622439183749,0.93141162773344,0.98163979727503,0.9776879042066968,-0.032554090764129434]
[2470,0.9635,"His-Ala",0.0270605641645469,0.0432067536629992,0.411733133719931,0.404871902894656,0.759896756797351,1.5966686208119065,0.6750649209400414]
[2499,0.9997,"Deoxycytidine",0.00875191944631568,0.00565907412965824,0.364289860465636,0.373162946772241,0.741535577472489,0.6466094854244295,-0.6290334236831662]
[2503,0.9764,"N-epsilon,N-epsilon,N-epsilon-Trimethyllysine",0.00239489641535429,0.00520871174352213,0.930305084258765,0.0461190505513533,0.248821943393828,2.174921516491383,1.1209633412778721]
[2514,0.7874,"Altretamine",0.46066799974356,0.519152905627535,0.801807387105496,0.77809220464404,0.931024005822417,1.1269567365576334,0.1724321320568943]
[2523,0.8336,"L-Fucose-1-phosphate",0.0156700618458538,0.014842508529994,0.559748733723457,0.889651363483034,0.97179610138221,0.9471888928071612,-0.07827593155772575]
[2526,0.7644,"Diaminopimelic acid",0.00353762611740262,0.00569278941616623,0.49899171412962,0.401133864453869,0.759084086644531,1.6092117219967734,0.686354152152132]
[2533,0.9932,"Ile-Asp",0.0142347162715321,0.0110123077209095,0.789277459983883,0.504238549370817,0.82378772979711,0.7736232679911527,-0.37029690799578985]
[2535,0.9995,"3-Hydroxycapric acid",0.0321828400751869,0.02052902428104,1.44075794638691,0.0689236540104793,0.271099705774552,0.6378872788442298,-0.6486265872296438]
[2543,0.9862,"Ile-Pro",0.0240789424350061,0.141753797560463,1.8777020491793,0.00898328963846899,0.0937602701351083,5.887044164962185,2.5575434508769095]
[2543,0.9994,"Pentobarbital",0.0240549015258568,0.00996361288646323,1.04137720371235,0.0882370411531951,0.315897174031463,0.414203021191056,-1.271590018293066]
[2550,0.8695,"Myristoleic acid",0.253824341523199,0.250047672690606,0.0147663951062927,0.976306356921735,0.989902274993068,0.9851209351714292,-0.021627251676345986]
[2558,0.9804,"7-Methylxanthine",0.0976460456455466,0.0690263922212771,0.714958251395963,0.335438335620782,0.702886579234357,0.7069041225882476,-0.5004135393241765]
[2562,0.7315,"6-Hydroxydopamine",0.10033020194709,0.048353019529726,1.10604473206249,0.126698935712413,0.464122752527715,0.4819388239169038,-1.0530780688327828]
[2563,0.9132,"3-Indolepropionic acid",0.0824143846415895,0.0749379513060313,0.1704783043192,0.782244818073418,0.916450442143202,0.9092824223820595,-0.13719963095559354]
[2575,0.6448,"3-Hydroxycapric acid",0.0151023972965296,0.0116127117343569,0.829654301428425,0.385080953965429,0.749343239230389,0.7689316806031451,-0.3790726741171732]
[2576,0.9949,"N6,N6,N6-Trimethyl-L-lysine",0.00870683177477595,0.00423959125374085,1.01958504419846,0.107787536523916,0.425017813601962,0.4869269745193792,-1.038222670420402]
[2582,0.8018,"2'-Deoxyuridine",0.0103142691541589,0.0174071242200263,0.799739050967577,0.188137053099054,0.466329834325428,1.6876740329204452,0.7550362805251478]
[2606,0.9975,"Val-Leu",0.0439235576749237,0.0366394024410232,0.0373127383067033,0.6234374986863,0.872909380444999,0.8341629043846992,-0.26159893855832167]
[2611,1,"Myristic acid",0.215830751429885,0.180271899708922,1.11677998381209,0.141584548103044,0.414165994218951,0.8352465925945002,-0.2597259028189384]
[2621,0.9953,"Lys-Cys",0.00680488049851537,0.00643565598719656,0.664949023735543,0.890874480362008,0.965337230073565,0.9457412203786144,-0.08048261655484842]
[2644,0.9629,"Dihydroxyacetone phosphate",0.0347705220106047,0.0372955335735847,0.0825625734325378,0.771228135039179,0.910438306574875,1.0726193170815752,0.10113814058010284]
[2653,0.9982,"Ile-Thr",0.0176744779423216,0.0469067681222136,0.193366173949332,0.20805450059313,0.57690452630276,2.6539266548798692,1.4081285002848798]
[2654,0.8664,"Leu-Thr",0.116158241866015,0.0850880466856141,0.599443725561448,0.506235491776545,0.824806831990356,0.7325183759561423,-0.449063143450403]
[2693,0.7398,"Thr-Asp",0.00398273698331485,0.00699774212357682,1.63245417626172,0.0390796111426034,0.221451129808086,1.7570183903413494,0.8131292918103835]
[2696,0.9577,"His-Pro",1.09292455890646,0.345358997446219,1.84114652658043,0.0128207607340986,0.116681872943665,0.31599527582377,-1.6620251048285466]
[2704,0.9325,"2-keto-D-Gluconic acid",0.685412616158909,0.604855347817011,0.675404964830055,0.353690164869168,0.629918589293232,0.8824689443369959,-0.18038258663313336]
[2721,0.9992,"Jasmonic acid",0.0194440093782246,0.0411035446197747,1.53137517590782,0.0148562254190981,0.127400770309126,2.113943879589293,1.079937076951001]
[2734,0.999,"Capric acid",0.0246531799431864,0.111888734004654,1.72285658498737,{"v":2.69963985327131e-05,"d":"2.70E-05"},0.013273229278584,4.538511229078892,2.182219126885024]
[2738,0.6417,"Ser-Met",0.0073319110119479,7.10519781745164E-3,0.330498108879845,0.84948595652827,0.957187863971189,0.9690785670847868,-0.04531445943413445]
[2740,0.9701,"Ala-Phe",0.00931186983043333,0.0150510264334645,0.370270696299205,0.399661080572008,0.758892799990262,1.6163269791717114,0.692719081450612]
[2750,0.6788,"Sulfathiazole",0.00444052581642866,0.0295830274469209,1.90592914614804,0.000533693078417407,0.0229506733958484,6.662055051559944,2.7359672757001015]
[2776,0.9968,"Acetylglycine",0.0151299874672029,0.0342093670075182,1.66563419076996,0.0032309004322747,0.0596981228841085,2.261030756414931,1.1769806169569794]
[2797,0.8593,".gamma.-L-Glu-.epsilon.-L-Lys",0.00736762099884348,9.45264153042304E-3,1.35183208631873,0.0653876035055889,0.31504936234511,1.2829977996841657,0.35951869623627475]
[2821,0.973,"Nicotinuric acid",0.00254028554447657,2.37286776440862E-3,0.532723754205476,0.872894211373206,0.958450100306661,0.9340948971536006,-0.09835897032902624]
[2825,0.9126,"d-Dethiobiotin",0.0104565138996535,0.0496408002595414,1.61887058487231,0.029762028151486,0.166916317579627,4.74735659856832,2.2471244221422406]
[2829,0.7573,"3-Hydroxyisovaleric acid",0.0128629934360991,0.0439979158576664,1.34219867504466,0.00090962434963827,0.035307787255696,3.4205036390821206,1.7742087649097094]
[2861,0.8344,"Lys-Ile",0.00928445212060662,0.00712812025773597,1.16278225046374,0.181523596111645,0.54800685850214,0.7677480765844304,-0.3812951020210607]
[2882,0.995,"Lumichrome",0.031013754457129,0.0212500550185037,0.925409628845632,0.238219039712715,0.609759530628284,0.6851816360343641,-0.5454416094858624]
[2899,0.6402,"L-Cystine",0.0659308488999189,0.0374281478549496,0.734295151688667,0.107526761699339,0.35390244983267,0.5676879409176793,-0.8168299993253809]
[2905,0.9859,"Flumequine",0.0335347448130644,0.0293396636298907,0.410238625002023,0.679920869046989,0.898253230221902,0.8749034409965336,-0.19280429266514218]
[2906,0.7248,"Nitrotyrosine",0.0125857120905036,0.00631447850231385,1.76899611261403,0.0289411397860848,0.184373221770185,0.5017180161842703,-0.995051350141688]
[2914,0.8361,"Agomelatine",0.0479945976355781,0.0374103849934966,1.57777540434561,0.0251292731959719,0.172178518247686,0.7794707495529563,-0.35943320957388974]
[2915,0.7617,"Sebacic acid",0.026506667309239,0.0344238417831733,0.524921283343216,0.792709308560833,0.93854282130527,1.2986861524901978,0.3770528234317024]
[2916,0.8679,"Lys-Pro",0.0343508830646325,0.0445742541212406,0.493209193746827,0.554508861123884,0.848891455469462,1.2976159604797477,0.37586346970741424]
[2923,0.8465,"Myristoleic acid",0.0533244930330316,0.0355039338713282,0.965241949081108,0.220304447806774,0.588957101660334,0.6658091216982683,-0.5868194591062277]
[2935,0.9886,"Stavudine",0.0440319490094233,0.0983490159915571,1.51894542690454,0.0240788592177437,0.152412377482576,2.233583073293198,1.1593599135618449]
[2943,0.9566,"Pro-Glu",0.0145803807906687,0.0466920367495974,1.85020389171184,0.000774798651874433,0.026849753282264,3.202388018526913,1.6791481231225815]
[2945,0.9999,"Pro-Phe",0.0171521655388407,0.0130816260965375,0.98182518563003,0.197752854070744,0.567437329674333,0.7626807278016554,-0.390848850165978]
[2947,0.6298,"alpha-D-Galactose 1-phosphate",0.0095500709120156,0.0102171843927254,0.528428241084312,0.871258710701725,0.964491238483977,1.069854296041976,0.09741432869083157]
[2953,0.9984,"Ile-Ile",0.0801476380182587,0.211030530478613,0.251930643189476,0.213268807133794,0.58143980511624,2.63302245326977,1.3967198241119785]
[2953,0.7939,"Lumichrome",0.502615727377492,0.391362309807364,0.545947210554462,0.400033288595537,0.67051034168002,0.7786511413985845,-0.36095099163665656]
[2955,0.6309,"Leu-Ile",0.209974288986679,0.190662187556931,0.00436409283240106,0.743365628940019,0.925739366516872,0.9080263515931078,-0.13919392869160635]
[2959,0.9758,"(S)-Equol",7.50256768350447E-3,5.71327271917194E-3,0.734234186933329,0.562969844639471,0.787837306302865,0.7615089873475496,-0.3930670313524341]
[2967,0.8391,"N-Acetyl-L-tyrosine",0.00579062765914139,0.00688579166840738,0.701965748538209,0.321528786754567,0.691401997293234,1.189126995160379,0.249902798770977]
[2975,0.7698,"Val-Gln",0.0235454288852843,0.0824306745758966,1.5841916100739,0.0294531095406825,0.185388426107885,3.500920496182386,1.8077342993940166]
[2975,0.9998,"Pentadecanoic Acid",0.92955053194625,0.798885432225897,0.621196577125053,0.470608251300916,0.720817415024767,0.8594319563813573,-0.21854467284210935]
[2976,0.9524,"Val-Ser",4.46399478587236E-3,0.00457975312276668,0.522971763645069,0.950679763514063,0.98559434399037,1.0259315573711403,0.03693448812349156]
[2981,0.9909,"Arg-Ala",0.00788611919357523,0.0054104368662894,1.08672538144287,0.159361060686889,0.512801127424596,0.6860708966581748,-0.5435704266930643]
[2983,0.9947,"Lys-Val",0.0286971360100915,0.0339323834541245,0.498634634141123,0.723875492475773,0.916027835281842,1.1824310078257285,0.241756008028572]
[2985,0.8788,"Val-Lys",0.0184865543155147,0.0268864006430069,0.404204352839033,0.449374068866861,0.784755252401993,1.454375985060812,0.5404002827801673]
[2993,0.9352,"Myristic acid",0.402198016344314,0.293921524763687,1.24452596413611,0.0877444893039082,0.379127808665259,0.7307881014312771,-0.4524749504482832]
[3005,0.6931,"Alpha-N-Phenylacetyl-L-glutamine",5.8393268863281E-3,0.00715144868832991,0.481007379057082,0.683271124630395,0.900524789601015,1.2247042899882767,0.29243344647859565]
[3006,0.923,"Pro-Met",0.00503473874860025,0.00456131398515527,0.587187650404966,0.803963406767411,0.943805901625326,0.9059683556417697,-0.14246743529574818]
[3008,0.9917,"Val-Glu",0.012280135187705,0.0308713349449915,1.71801697142313,0.0261631695343145,0.175002790101135,2.513924681863454,1.3299414267155285]
[3008,0.9142,"Cytidine",0.0368506013120591,0.0199439545804167,1.51738339822288,0.0727920551295652,0.27980914632135,0.5412111029485477,-0.8857366583731683]
[3010,0.9112,"Phosphorylcholine",0.0391754133777917,0.0315079784949995,0.520847676586889,0.6381021364311,0.8358797968347,0.80427941349717,-0.31423130189489656]
[3014,0.9537,"Pro-Asn",0.00525664072237148,0.00622575039339733,0.454256866120809,0.709149590177421,0.909917775007538,1.1843591225288543,0.2441066027012079]
[3022,0.6818,"Oleic acid",0.245694318546164,0.188600267011347,0.764870865709664,0.401838815538713,0.759084086644531,0.7676216044690937,-0.38153277858361284]
[3033,0.6447,"Thr-Gln",0.00732212639199894,0.0328495711789178,1.82270155123258,0.0173748086326173,0.142266213571998,4.486343094925717,2.165539955337349]
[3038,0.9986,"Lys-Thr",0.030843233870433,0.0332250358340012,0.541726056025488,0.855613021403906,0.958450100306661,1.0772228351142987,0.10731671771956151]
[3045,0.6369,"Uridine",0.396761825198706,0.420878773574718,0.398105681325128,0.824180000183131,0.941646398350208,1.0607844476064041,0.08513152904956986]
[3046,0.8725,"Pseudouridine",0.0760570488690426,0.104975946604417,1.03660604615006,0.206924896851726,0.490517368622655,1.380226398018254,0.464904931140248]
[3053,0.9522,"Thr-Glu",0.00374124678584408,0.0115286153239035,1.86555157483659,0.00207770890671584,0.0442071386869698,3.081490204689204,1.623628205135804]
[3058,0.7714,"Val-Met",0.00898130768552982,0.0211185526877525,0.131991107329675,0.241189466723406,0.610914188470801,2.351389511103993,1.2335135433260964]
[3065,0.6613,"Matrine",0.0180843369175858,0.0147108957304758,0.360264654633941,0.576243451705769,0.855346540340853,0.8134606094498519,-0.29785560753565754]
[3068,0.9778,"alpha-hydroxy myristic acid",0.027650282030088,0.0503846225397334,1.04829818225289,0.250008472058641,0.536772192556763,1.8222100767329152,0.8656892923944892]
[3084,0.9237,"Bufexamac",0.00624349256669783,0.00332857002698275,0.209449995018643,0.276613772386474,0.565888091914076,0.5331262897207586,-0.9074507683340581]
[3100,0.9384,"Thr-Met",0.00513714374558953,6.53310805606721E-3,0.428310667529341,0.615310294609556,0.872849319510925,1.2717393905273098,0.3468030585823129]
[3120,0.7248,"gamma-L-Glutamyl-L-valine",0.0376362261293119,0.0743186628437485,1.59823530143867,0.0196418065287658,0.142057860069386,1.9746576765800523,0.9816025717171001]
[3128,0.7046,"N1-Acetylspermidine",0.0697478432468252,0.0594939603291609,0.805454688301613,0.292000759139226,0.664549759515313,0.8529863800751855,-0.22940538916426662]
[3149,0.997,"Deoxyadenosine",0.0189298111746098,0.0147164346298059,0.00546741772391243,0.629391262613112,0.876621739532154,0.7774211001927361,-0.36323183010925797]
[3150,0.9999,"5'-Deoxyadenosine",0.00811199823930062,0.0054717050437736,1.2089281340882,0.172561847148924,0.535339105445317,0.6745199989399092,-0.5680668764081089]
[3152,0.9841,"Ile-Cys",0.44332586015106,0.368019719653093,1.0101427310749,0.189023036702659,0.558392642849494,0.8301336617893055,-0.268584447975404]
[3157,0.6787,"Jasmonic acid",0.0235589724670259,0.0275709864687624,0.644698921695881,0.786192680402456,0.937458991164788,1.1702966463139204,0.2268742699117194]
[3171,0.9974,"Pro-Asp",0.00916540939754323,0.0127703267542085,0.156848321436048,0.535175133658091,0.837614716702686,1.3933176577613173,0.4785242105822082]
[3172,0.8389,"His-Asp",0.009513988258963,0.00581288421048527,1.73423257950284,7.05261660669177E-3,0.08100886082886,0.6109829077210632,-0.7107960737483886]
[3173,0.9774,"Deoxyinosine",0.00286368173797591,0.00258445001907857,0.583280028054949,0.795619127054641,0.939761712775288,0.9024920558753485,-0.14801386205617514]
[3205,0.8532,"Val-Asn",0.00326470356109717,0.00320299261174256,0.0724702008713571,0.96904117745879,0.990369838225132,0.9810975336045914,-0.027531529030833893]
[3222,0.9133,"Daidzein",0.0068686019911438,0.00430983267263362,0.8555861683504,0.200049631010487,0.569493578326852,0.6274686869599677,-0.6723846299191816]
[3231,0.9288,"Val-His",0.00445999527442125,0.0202785031093056,1.72353106853632,0.0333497420842931,0.200551544489282,4.546754393576579,2.1848370747358197]
[3247,0.7573,"5-Hydroxymethylcytidine",0.00248444787780305,0.00228857796571274,0.0485861473810649,0.867372800156922,0.958450100306661,0.9211615933502643,-0.11847383381978242]
[3256,0.6101,"Tridecanoic acid (Tridecylic acid)",0.0658003578397655,0.0567651103793917,0.580228290450509,0.720819236134228,0.914278787391201,0.862686955557657,-0.21309095332325143]
[3273,0.8783,"His-His",0.00331547589154279,0.00348648041954164,0.243881337516381,0.778064440585217,0.931024005822417,1.051577671982189,0.072555414829581]
[3275,0.9946,"His-Thr",0.00599464960298287,0.009658132212802,0.339671463715475,0.37755488539561,0.744369697464867,1.6111253955520974,0.6880687848581798]
[3292,0.8289,"Deoxyinosine",0.0111784033891659,0.0121337721486192,0.333199168400119,0.749113324406853,0.896927408783444,1.085465582712755,0.11831398257506123]
[3309,0.9954,"Glycerophosphocholine",0.0017811653889174,0.00289251431875177,0.872421823054505,0.245977065239257,0.615574494263526,1.623944826656357,0.6995026179532495]
[3310,0.7407,"Thr-Pro",0.0286145226952126,0.0307546009880616,0.474285121212563,0.628945374951192,0.876621739532154,1.0747899350146088,0.10405471625484009]
[3318,0.7775,"3-Hydroxydodecanoic acid",0.0341939429717449,0.0286251842850989,0.865673180486335,0.317600049585142,0.690178752980756,0.8371419554847018,-0.2564558112887752]
[3331,0.946,"gamma-L-Glutamyl-L-glutamic acid",0.0113705030710676,0.00348063802594065,1.88732549845507,0.00620299468246187,0.07710249585344,0.30611117240689034,-1.7078723937602276]
[3338,0.9941,"Prilocaine",0.00667114933419103,0.00380046202217432,1.49275681534595,0.0263069812656566,0.175002790101135,0.5696862462208964,-0.8117605188498164]
[3340,0.9958,"Securinine",0.00725032258206782,0.00586232626264914,1.34138380354392,0.051696839988056,0.270002478875593,0.8085607497173155,-0.3065719228911282]
[3342,0.9745,"Zingerone",0.033646895192358,0.0207222139465391,0.855997727628517,0.201836394016999,0.486452093423322,0.6158729900060913,-0.6992952367939482]
[3344,0.8175,"Primaquine",0.00317608018089502,0.00392986423796609,0.773820264302405,0.566457602095482,0.853475417204062,1.2373315578130821,0.3072321395373521]
[3348,1,"cis-9-Palmitoleic acid",10.6875084094898,9.57720602755445,0.43218306782136,0.545044029201038,0.771066571418257,0.8961121395750693,-0.1582488122856961]
[3358,0.9844,"2-Thiocytidine",0.0025223174697012,0.00430015082656216,1.1801602542503,0.0892920127737086,0.383013752782671,1.704841233594424,0.7696373919350373]
[3361,0.9598,"Nname,Clomipramine",0.00184647641956602,0.00196111123348942,0.495052506294095,0.889457518934179,0.964381738338984,1.062083009947315,0.08689652825054921]
[3363,0.6634,"Ala-Glu",0.0112605192721168,0.0167477007687474,1.15730576826957,0.145732632645596,0.492421420495534,1.4872938240262072,0.5726896888098834]
[3364,0.9929,"Ile-Glu",0.0139756124883094,0.0114802280089705,0.500270469360308,0.549152768379539,0.847237404640351,0.8214472187586562,-0.28376021561154663]
[3367,0.6475,"Leu-Gln",0.0440603309057161,0.109695629041139,0.256857006751931,0.203944279761779,0.574821624827786,2.489668751600497,1.3159538056615003]
[3369,0.9916,"Ile-Ser",0.0133694446209238,0.00488963185277149,0.850747365034561,0.158982928496527,0.512499529786656,0.3657318603286624,-1.4511417839422336]
[3375,0.9458,"Ile-Lys",0.0239972006813321,0.0255296370369946,0.507075010218986,0.888320777372396,0.964339598935013,1.0638589632187645,0.08930690408009596]
[3376,0.9976,"Lys-Leu",0.0487125879194634,0.0456693392778217,0.547402729961213,0.887849396481381,0.964339598935013,0.9375264429253254,-0.09306871261630145]
[3383,0.8182,"Pentadecanoic Acid",0.0559600304257039,0.0470686590094839,0.608521437787649,0.545727448277899,0.843396965520389,0.8411121053977133,-0.24962999580679798]
[3395,0.7299,"Gln-Asn",0.00342953470774263,0.00362197484575014,0.411739923840817,0.903884091107253,0.96732330699241,1.0561126083876775,0.07876367077686099]
[3399,0.602,"7,8-Dihydro-.alpha.-ionone",0.00206378065423058,0.00306622980502758,1.00211094033084,0.218778148074751,0.588138118795405,1.485734348145023,0.5711761825824121]
[3403,1,"Palmitic acid",54.2169605067566,58.0733154312087,0.66801465033029,0.847067967039427,0.952491803605648,1.0711282021051607,0.09913116493624273]
[3405,0.9963,"Lys-Asn",0.0178879062035379,0.0149237038880104,0.622426080678671,0.632852396288702,0.878582448468599,0.8342901465493353,-0.26137888844643437]
[3412,0.7404,"all cis-(6,9,12)-Linolenic acid",0.149525429072289,0.113191408423813,0.633696057354037,0.376452447343616,0.744369697464867,0.7570044047095823,-0.4016264001794158]
[3420,0.9334,"Mimosine",0.0106252078989003,0.00414805889164812,1.38609053238275,0.0816152266860405,0.359589822920723,0.39039790384501,-1.356982788196931]
[3424,0.9999,"Duloxetine",0.00674748039597763,0.00713246081652285,0.528870720064858,0.888853770526586,0.964339598935013,1.057055433725264,0.08005103600490697]
[3434,0.9858,"Arg-Ser",0.0767990013019028,0.118708547208559,1.46940520607532,0.034425481735948,0.202067485629245,1.5457043086004014,0.6282643598083272]
[3435,0.9478,"Ser-Arg",0.0225175106408752,0.0306990590473874,0.451985590077852,0.515079946096725,0.829685215164086,1.3633416027640524,0.4471470932261912]
[3462,0.7407,"Ribothymidine",0.0243494728675045,0.0326071103775279,0.934390413393824,0.286112980623605,0.576525473251116,1.3391300318884356,0.42129605569757816]
[3464,0.9948,"Ile-Met",0.0298223689421733,0.0415949605493916,0.338841628471773,0.554028794247619,0.848891455469462,1.3947570908952875,0.4800138860147483]
[3465,0.9731,"Phe-Pro",0.0256045519438184,0.0827613804989208,0.168260101830828,0.133834681521304,0.475748608064754,3.232291690966361,1.692557396766081]
[3479,0.8172,"Met-Asp",0.00747348501897098,0.0100474082552045,0.451876786121153,0.653864584331497,0.887173217090395,1.344407358775695,0.4269703445453324]
[3488,0.9927,"Phe-Val",0.00459342925870483,0.0128170775012532,0.066999952469481,0.154160661281413,0.502346313976685,2.79030693179046,1.4804238262181755]
[3504,0.6592,"2'-O-Methyluridine",0.00534361570905505,0.00307989236170428,0.842748410600748,0.315560877284752,0.603737973332807,0.5763686105805164,-0.7949363273707784]
[3509,0.9982,"Thiamine",0.367714374292759,0.438103888821666,0.955717419803707,0.300950946736935,0.671113049348152,1.191424430073723,0.25268744685725025]
[3510,0.6761,"Thr-Tyr",0.011903519634552,0.0111981374020072,0.238959892668813,0.83686319243866,0.957187863971189,0.9407417088222119,-0.08812942565536931]
[3515,0.8312,"Val-Phe",0.0130260278086644,0.0314074726749954,0.149487216030568,0.273187769544723,0.64006367963345,2.411132014788452,1.269710643834075]
[3518,0.8877,"trans-Vaccenic acid",0.490921132958387,0.408704491582517,0.585429570392626,0.582572333034079,0.859079659678732,0.8325257646163724,-0.26443317416400597]
[3526,0.9945,"D-Glucose 6-phosphate",0.0567662873133415,0.0818870550767262,0.553297624881334,0.440272577634056,0.697133216979123,1.442529694160229,0.5286010167402765]
[3527,0.6587,"4-thiouridine",0.0231971725484194,0.0333583662022976,1.14971086665272,0.103163734732574,0.346544214547777,1.4380358697883877,0.5240996622309063]
[3543,0.9999,"Dodecanoic acid",0.0392326190173298,0.291902839416464,1.71051769083778,0.00192000047098144,0.0429091014348124,7.440309791388765,2.895362691924123]
[3558,0.8845,"Thr-Phe",0.00382930454616337,0.00867245312067439,0.137093487474268,0.23720202446419,0.608863678761279,2.26475930971942,1.1793577341013712]
[3559,0.9626,"Promethazine",0.0210411387833499,0.0336914834969228,1.0645510286127,0.265785804157151,0.635892693274503,1.601219584349839,0.6791711663986709]
[3560,0.9936,"Phe-Thr",3.75644304850305E-3,0.00937360805567936,0.118163872984185,0.242817964202699,0.61196919089967,2.4953414532438503,1.31923724209416]
[3571,1,"Adenosine",0.992411428377259,1.7529392762505,1.07065071690274,0.147857488749386,0.494619091303304,1.7663432988844332,0.8207657662395946]
[3589,0.9999,"Inosine",0.16687202999469,0.167136320201611,0.598841117037296,0.996670310073319,0.99833235061263,1.00158378972755,2.2831180731399383E-3]
[3599,0.9809,"His-Ile",0.0333634678621292,0.0842153602134471,0.243190608591004,0.208240973026386,0.57690452630276,2.5241788581887725,1.3358141403837467]
[3600,0.9803,"L-phenylalanyl-L-proline",0.0219306275657152,0.101814571557807,1.78697423563732,0.00299005782041626,0.0576327948311246,4.642574465902505,2.2149250508664937]
[3619,0.8131,"Pro-His",0.00282025678095323,3.73633073302311E-3,0.732610205699114,0.442796789275768,0.784146344037151,1.3248193420743242,0.4057956411375311]
[3649,0.76,"Propazine",0.00433746136531884,0.00525418869220119,1.12612792966803,0.183121466629182,0.550745434327573,1.2113511221592086,0.27661710514347104]
[3671,0.8413,"Pro-Arg",0.0171725362790769,0.0391745329177673,1.72300483963914,0.0220604438203405,0.160294031307474,2.2812316294534627,1.1898129410375622]
[3684,0.8829,"D-Biotin",0.0564617943308846,0.131353190213343,1.27135809234604,0.242621261799911,0.530513218128398,2.326408357544755,1.2181043572134713]
[3685,0.6391,"Phenethyl Caffeiate",0.0139899581793084,0.0512696330538574,1.49425237339483,0.0460220426521036,0.209513928740286,3.6647452691950746,1.873712922331564]
[3687,0.8277,"Allopurinol",0.0288749316054254,0.0148894507579763,1.68206669560949,0.00841136948060713,0.0902219512146074,0.5156531957006844,-0.9555269925243898]
[3688,0.9997,"Thiamine",0.546499546402514,0.431160529146382,1.1466941659737,0.10353548457613,0.346544214547777,0.7889494730318015,-0.3419951867153225]
[3704,0.9994,"Adenosine",0.0838236276465803,0.138734281158404,0.968538399448908,0.15625165981576,0.427590349217526,1.6550736952514111,0.7268954571573688]
[3726,0.9191,"Arg-Val",0.0667197398876235,0.07515043042977,0.530017646873886,0.789893754271233,0.93854282130527,1.1263597633376023,0.1716677029815538]
[3727,0.9711,"Val-Arg",0.0251763364812253,0.0317889716604718,0.464917418800349,0.61806002926965,0.872849319510925,1.262652796373997,0.33645798210808925]
[3728,0.9701,"Cyclopentolate",0.0254589347018742,0.0455311287262259,0.892007224708484,0.123697068153232,0.462452524506483,1.7884145294922358,0.8386811718281546]
[3729,0.9944,"Inosine",0.73539172905649,0.726784848584753,0.600054257522197,0.975064747344004,0.989902274993068,0.9882961962561374,-0.016984606894627313]
[3734,0.7825,"Palmitic acid",0.167497525017891,0.219148723576463,0.0766451671260965,0.62302762462666,0.872909380444999,1.3083699210066235,0.38777049783095074]
[3747,0.997,"Tyr-Ala",0.0146058064537662,0.0121837582486988,0.600064926313912,0.616671795018136,0.872849319510925,0.8341722374088519,-0.2615827970681325]
[3756,0.9948,"Leu-Val",0.0244438722512722,0.0151822980507744,0.990832927449975,0.175997337155648,0.538450257308111,0.621108550016425,-0.6870826672067605]
[3765,0.718,"Galangin",0.0261184358039207,0.0222323041598933,0.801956958875225,0.759348727936307,0.903069134744484,0.85121116466538,-0.23241102123136162]
[3796,0.9794,"Arg-Thr",0.101816040383575,0.132686812190879,0.494300038683913,0.555979488943381,0.848891455469462,1.303201457167294,0.3820601221182212]
[3797,0.961,"Thr-Arg",0.027537632575141,0.0355312383600397,0.4738251604786,0.579975380742885,0.858075999654196,1.290279339122084,0.3676834358338973]
[3806,0.9585,"Heptadecanoic acid",1.94633836651978,1.48355529964539,1.10150409544553,0.118630778002216,0.370721181256925,0.7622288730289555,-0.39170383679403825]
[3835,0.9971,"L-Saccharopine",0.0210044351510514,0.0154835611340605,1.45441280197859,0.10038034886824,0.404665299016934,0.7371567491680658,-0.43995666796543503]
[3840,0.8462,"Perseitol",0.00566337843283969,0.00574320500941202,0.0876694190563976,0.979571931737763,0.990065418127096,1.014095222051461,0.020193125646484164]
[3860,0.9239,"Met-Gln",0.00432876565909728,0.00861790289606737,0.265090504629502,0.34895310930052,0.721116402476533,1.9908453297664872,0.9933811413765122]
[3908,0.9232,"Acetylvalerenolic acid",0.0433517702100404,0.0285150046071104,0.711232618369717,0.502530430499231,0.741942025631074,0.6577587136339416,-0.6043696393210438]
[3917,0.9453,"Phthalic acid Mono-2-ethylhexyl Ester",0.44946026280954,0.285691128626476,0.755416586064681,0.234252162783993,0.603031996195364,0.6356315613768472,-0.6537373334617966]
[3918,0.8805,"Leu-Phe",0.0602095617685357,0.145807165343697,0.29163160099052,0.221471335024578,0.588957101660334,2.4216612953308836,1.2759970971886778]
[3930,0.6032,"Phe-Asn",0.0121729086622665,0.0127169753194822,0.495189080722366,0.926288124868667,0.978493999357254,1.0446948771497968,0.06308163752066824]
[3942,0.7659,"Met-Met",0.0854536072170855,0.0435893075221934,1.11562013696827,0.150702947651838,0.497374929795993,0.5100932417219036,-0.9711671084416355]
[3943,0.6743,"alpha-Farnesene",0.121880317300422,0.0955449965630344,1.31236168302806,0.064066309509248,0.311179217616347,0.7839247442023487,-0.3512129308239849]
[3945,0.9806,"Phe-Asp",0.0298467477814194,0.00704340793317,1.78366659854285,0.0257719549665619,0.174117841516077,0.23598577589598413,-2.0832281914984154]
[3947,0.923,"Phenylethylamine",0.10677184468851,0.0759352542823335,1.41466633939121,0.0338919945111976,0.200899256938086,0.7111917425784168,-0.4916895212966298]
[3949,0.9042,"Val-Tyr",2.12842185091332E-3,0.010095785476722,1.36869443209304,0.0290577108672212,0.184373221770185,4.743319785215432,2.2458971353355017]
[3965,0.8262,"L-Saccharopine",0.044233280703753,0.0303333459019134,1.29276522706816,0.11728384671229,0.369734440760191,0.6857584474700685,-0.5442276059609298]
[3985,0.9863,"2'-O-methyladenosine",0.0308797198867425,0.0378030377834066,0.645752415329049,0.556864496903911,0.848959241472798,1.2242027428375888,0.2918425056323428]
[3987,1,"1-Methyladenosine",0.00806166513744996,0.0078862861606197,0.171161470289333,0.923556414285556,0.977245248703801,0.9782453160928817,-0.03173179746969982]
[4004,0.9984,"2'-O-methylinosine",0.00461460646584493,0.00943033870730356,1.59684832717941,0.00630010375176441,0.0772298432699283,2.0435845997058113,1.0311019688538847]
[4007,0.8741,"trans-Zeatin",0.0062612865143239,0.00711736963443468,0.550693943135599,0.611981263776044,0.872460630794645,1.1367263929149904,0.18488504307245018]
[4011,0.9982,"3-Aminopropanesulphonic Acid",0.024316685183229,0.0184589364596997,0.776490575760833,0.282022396212895,0.57219124403579,0.7591057876766305,-0.3976271437372894]
[4020,0.972,"Pantetheine",0.66788542146507,0.447362059014399,1.38040320016511,0.0489424048739624,0.217439901171972,0.6698185716242584,-0.578157717620314]
[4030,0.9534,"all cis-(6,9,12)-Linolenic acid",47.0052434891947,33.0252926654385,1.4822774571596,0.041328335658161,0.198564479139373,0.7025874182106975,-0.5092503535783728]
[4031,0.9996,"Guanosine",0.0175393470212108,0.0557999050248257,1.81430433281079,1.81340926333443E-4,0.0136156812188693,3.181412908778496,1.669667628333885]
[4037,0.6367,"Pinacidil",3.70202473034711E-3,0.0030625478123198,0.612317671139296,0.62773126719202,0.876198097195988,0.8272629264777086,-0.2735821652010623]
[4051,0.7571,"Stearamide",0.0198520307921699,0.0256062329705708,0.690244637880905,0.40896102305894,0.761309673091125,1.2898545865982887,0.3672084307505475]
[4059,0.6832,"Thymidine",0.695266082951505,0.784815653779487,0.568759783522138,0.625681927553433,0.828925216528332,1.1287989922474444,0.17478860506033833]
[4064,0.6209,"L-Aspartyl-L-phenylalanine",0.0068198372944818,0.0209246324992118,1.70304501689922,0.0169324279986528,0.136295115672153,3.0682011308602255,1.617393059432628]
[4068,0.995,"His-Glu",0.0117716796354511,0.0256748684682001,1.76063790319969,0.00429365210136923,0.0603054767244633,2.1810709485228204,1.1250367004771578]
[4073,0.9121,"His-Phe",0.0379798961276291,0.0135324750085972,1.84999448410941,0.0096058651775634,0.0973099739176561,0.35630626695560597,-1.4888102360968647]
[4076,0.9998,"Linoleic acid",81.5826849371028,64.7489402206832,1.46356689560155,0.0222264128939782,0.148343705966597,0.7936603247441808,-0.3334064082481574]
[4076,0.884,"Pro-Gln",0.00302026060454989,0.00371057368760559,0.872178755264943,0.208220021728322,0.57690452630276,1.2285607679071713,0.29696921902698037]
[4118,0.9592,"2'-O-methylinosine",0.0114832874224724,0.0270685973186179,1.7097483990734,0.000260072181138681,0.0191803233589777,2.357216737921719,1.2370844155032967]
[4118,0.975,"His-Met",0.00790009022346176,0.0102250285896247,0.415054668541455,0.585769971921433,0.861651249743528,1.294292634691477,0.372163842127668]
[4120,0.9261,"Metyrapone",0.0147401304928836,0.0327783775897047,1.58077630223858,0.0798638807670012,0.356096734385227,2.22375084165841,1.1529951515323158]
[4135,1,"Oleic acid",84.4900660587755,88.6763692353254,0.663221042842783,0.897332143324113,0.973183210578158,1.049547874345816,0.06976797559245505]
[4144,0.9343,"Arg-Ile",0.0066838530120231,0.00746592152158161,0.613093779692185,0.68195004564746,0.900273979675255,1.1170086338152114,0.15964033704258032]
[4145,0.9698,"Ile-Arg",0.0820255788394367,0.0944475247387084,0.494705379795774,0.768606532032988,0.930541946592461,1.1514399053932602,0.20343911764095082]
[4151,0.8594,"Heptadecanoic acid",0.129719097463748,0.0916853052525901,0.720476488187159,0.353475423731668,0.724644725329313,0.7067988218019554,-0.5006284598958133]
[4154,0.9958,"Guanosine",0.0425418507846737,0.157676378173637,1.64125180416371,0.00331273709403899,0.0596981228841085,3.7063826623744855,1.8900118388962834]
[4167,0.9801,"Leu-Leu",0.0156654957339533,0.00764494778442656,0.711766205340405,0.405338625631674,0.759896756797351,0.4880118646904322,-1.03501187143943]
[4173,0.8104,"Thr-Lys",0.0196197994641106,0.0154397783151838,0.668984993863026,0.497741050559913,0.816875567494502,0.7869488341828835,-0.3456582572108523]
[4190,0.946,"Xanthosine",0.00662842262212993,0.00716385493153483,0.492685229562118,0.852220409745576,0.954856545018586,1.0807782393985084,0.1120705325631502]
[4194,0.7485,"Argininosuccinic acid",0.00533033513394524,0.00372223373633905,0.683916752470052,0.400868873692577,0.759084086644531,0.6983113899602115,-0.5180575905812176]
[4199,0.9704,"Arg-Asp",0.0335893505638283,0.0314417755639827,0.0913266104151794,0.739215991949725,0.922484222640862,0.9360638129705824,-0.09532121089267517]
[4222,0.9999,"Stearic acid",50.6350455098541,39.9923833259416,0.661225628360722,0.505882938992757,0.741942025631074,0.7898162808633927,-0.3404109878148689]
[4283,0.9708,"Phe-Gln",0.00767393305855286,0.0289369745870504,1.5553624799956,0.0353880791662015,0.205707479540307,3.770814048840204,1.9148760082280174]
[4287,0.7236,"12-Oxo-2,3-dinor-10,15-phytodienoic acid",0.0549515251493302,0.0745050156685125,0.605268360280968,0.582677708430142,0.802473968192773,1.355831625528971,0.4391780279603451]
[4289,0.9011,"Lys-Phe",0.0138636977687646,0.012176882280014,0.609287355539237,0.740258385344845,0.923145751135925,0.8783286020161911,-0.18716731024329142]
[4290,0.8504,"Phe-Lys",0.00923240795743814,0.00895536971166961,0.540740560899834,0.947846138817872,0.985584963733298,0.9699928505059904,-0.04395398117271554]
[4293,0.9104,"Pentetrazole",0.00305639469590527,0.00325364245213776,0.70174959434785,0.859515756918134,0.958450100306661,1.0645360877300134,0.09022485792232576]
[4295,0.7742,"Stearidonic Acid",0.444405923149579,0.34870278234006,0.533122088894243,0.454013044740773,0.786520385848954,0.7846492681032359,-0.34988016985134146]
[4311,0.8268,"Asp-Thr",0.0535574101842507,0.0464425970342155,1.06230650505961,0.15047667087748,0.497374929795993,0.8671553922126092,-0.20563755070583603]
[4312,0.9173,"Aspartame",0.00883670130899277,8.70864959752609E-3,0.578407620898224,0.971292739779942,0.990369838225132,0.9855091049262504,-0.021058894779159155]
[4316,0.8627,"Leu-Tyr",0.0143245888490994,0.0356615993508387,0.165831135274495,0.206058393037063,0.57568561899657,2.489537377059222,1.3158776756944561]
[4317,0.604,"Tyr-Leu",0.0823518802352674,0.0439875836187544,1.01200183535989,0.224030667646915,0.591214365882804,0.5341418252150192,-0.9047052380533618]
[4319,0.6286,"Capsaicin",0.0445476053703855,0.0471151643700868,0.531960720216788,0.89466886209902,0.973183210578158,1.0576362966842696,0.08084359420090163]
[4348,0.8766,"alpha-Linolenic acid",2.5071177165021,2.06079699066031,0.378955233218732,0.588500472064136,0.861651249743528,0.8219785521421423,-0.28282734468096266]
[4354,0.9747,"16b-Hydroxyestradiol",0.0292332723275138,0.0403043030434419,0.635103210157428,0.574543081108384,0.796476545709461,1.3787133575705879,0.46332254343864804]
[4356,0.9956,"L-Pipecolic acid",0.032922786569871,2.99773848198237E-3,1.12555818675061,0.0714156128415745,0.330825024011613,0.09105360737373683,-3.4571400145593625]
[4358,0.7415,"Phe-Met",0.0623609253463971,0.016440517166607,0.915671006808686,0.0966568723858139,0.398571359357521,0.26363491361432867,-1.9233866533622157]
[4382,0.6877,"Gly-Arg",0.0347700460089295,0.039046047565762,0.768736227175728,0.749240843411459,0.929149566735181,1.1229794621420504,0.16733154293285166]
[4386,0.9997,"S-Methyl-5'-thioadenosine",11.966817658609,10.1739612108914,0.547949572898199,0.665519927034532,0.890985816133897,0.8501810173043117,-0.2341580477976748]
[4404,0.8788,"D-Ribose 5-phosphate",0.0177681682156655,0.0263362061294362,1.48420237432339,0.0129505828933855,0.116476221764258,1.48221278692176,0.5677525762538594]
[4413,0.8727,"3'-Hydroxyropivacaine",0.117979544836648,0.0779533606118976,0.536414329300002,0.514689832131071,0.748305198390492,0.6607362379625229,-0.5978536236470577]
[4433,0.9921,"His-Val",0.00458839063641552,4.65227664729897E-3,0.431297765452931,0.981134384388175,0.994775904216975,1.0139234027670667,0.019948667506815992]
[4456,0.6073,"Nateglinide",0.0744374537332116,0.0959141609186129,0.620388313821139,0.464301486203264,0.794299838734396,1.2885201751039892,0.36571512648321736]
[4470,0.9404,"Chlorpromazine",0.0539181082611566,0.0556517619574399,0.2951682123759,0.942722242309426,0.984134431199355,1.0321534592401909,0.04565748473949439]
[4472,0.784,"Tyr-Pro",0.00749152400357916,0.014047486516749,1.78810315915798,0.00240100240672122,0.0448459378011993,1.8751173339413523,0.9069808739013283]
[4478,0.9728,"Stearidonic Acid",0.210420928678974,0.063143866472837,0.163150413454531,0.331681594414038,0.614610994674254,0.30008358421975995,-1.7365636950198369]
[4478,0.9942,"Pro-Trp",0.0361279223729322,0.0314479549577572,0.824770249562385,0.365613083558132,0.734744748095395,0.8704612081794848,-0.20014808881350363]
[4493,0.9228,"N-Acetyl-D-Glucosamine 6-Phosphate",0.00619825539710176,7.83066401361515E-3,0.809931825963133,0.492009972220762,0.813561957861086,1.2633658202075195,0.3372724463952696]
[4498,0.998,"O-Acetyl-L-serine",0.011090189886755,0.0177653903797965,0.362817207094867,0.363388024100271,0.638092066128452,1.6019013705990448,0.6797853234469773]
[4501,0.6891,"gamma-L-Glutamyl-L-phenylalanine",0.0133651018875648,0.0218689380513242,1.38371157042461,0.0419478307424431,0.200285726838295,1.6362717048697972,0.7104123294052507]
[4507,0.9974,"Embelin",1.26484734098586,1.11076358412793,0.345365323027193,0.63546347873712,0.83498807038854,0.8781799574817997,-0.1874114863755102]
[4509,0.8489,"9-OxoODE",2.0013338775205,1.94128023839012,0.640111905022927,0.944771153067716,0.989335286751904,0.969993193137378,-0.04395347156842704]
[4516,0.9384,"Sphinganine",0.253447671074398,0.46354697868101,1.35916290734958,0.093274856340229,0.390218232739074,1.828965232609846,0.8710276506918242]
[4518,0.9953,"Stearic acid",2.66397040701337,0.266707547414748,1.87080946239951,{"v":7.30993577546221e-05,"d":"7.31E-05"},0.00910332345720001,0.10011655786888381,-3.320247499536116]
[4528,0.9261,"Arg-Gln",0.112899017405578,0.0988403601060946,0.63250280734268,0.725700950740674,0.917693412796276,0.8754758223538904,-0.19186075797814062]
[4529,0.9966,"Lys-Asp",0.0172871257097938,0.0105303454623123,1.18795644942268,0.1503118504773,0.497374929795993,0.6091438009469942,-0.7151452486548276]
[4551,0.9296,"Mevalonic acid",0.0305377311527011,0.0280651341143296,0.258172736388066,0.698896381588547,0.875366353705139,0.919031409831742,-0.12181392539251272]
[4554,0.9709,"Arg-Glu",0.0700986631971456,0.136548196075886,1.59706306948534,0.00874723324252958,0.0924418285757822,1.9479429399653119,0.9619514179568328]
[4555,0.9535,"Val-Trp",0.00736828421229184,0.0155084097099622,0.171213080098166,0.228984343708551,0.596285819888453,2.1047518340960476,1.0736501388379012]
[4561,0.9,"9(S)-HODE",0.815615692369192,0.851364469557743,0.642103073728465,0.906965547161767,0.977647084161143,1.0438304185696923,0.06188734968479905]
[4572,0.9998,"S-Methyl-5'-thioadenosine",2.12748413252754,2.31522004131494,0.0508265727527637,0.850334293768314,0.953797021527197,1.0882431534586168,0.12200094362466754]
[4574,0.7712,"Sepiapterin",0.00581676936205052,0.0136031361465512,1.6138943776234,1.63581009043941E-3,0.0408952522609852,2.33860675915743,1.2256492903738543]
[4601,0.9751,"Nitrofurantoin",0.184859362391941,0.231661152946311,0.266449662164489,0.531563265351239,0.765679508196365,1.2531751162007163,0.3255880280850531]
[4603,0.9579,"gamma-L-Glutamyl-L-glutamic acid",0.0114597272948628,7.57972114170667E-3,1.56541013144221,0.0324553782794137,0.174286485807244,0.6614224707689623,-0.596356035272671]
[4608,0.8129,"Thr-Trp",0.00218111729682566,0.00397676036526861,0.170815551876679,0.269719487468195,0.638678733794596,1.8232675386400725,0.8665262719363417]
[4612,0.949,"Arg-Met",0.0250086863874475,0.0215077351602629,0.0330409062608491,0.777915638795329,0.931024005822417,0.8600105910024199,-0.21757366822078364]
[4613,0.8682,"Met-Arg",0.0163637852976628,0.0138563145234,0.611041431975003,0.670298998141789,0.892435904932096,0.8467670695593315,-0.23996293029768193]
[4621,0.9745,"Nname,cis-9,10-Epoxystearic acid",0.442520588455911,0.197751585037267,1.02154307417309,0.118921214121596,0.3708431095758,0.4468754453375434,-1.1620553203781863]
[4627,0.6714,"Isopentenyl pyrophosphate",0.00208370716772604,0.0228748615905945,1.86680311405125,{"v":4.34992542615726e-05,"d":"4.35E-05"},0.00731732080640119,10.977963672101753,3.4565385652037657]
[4657,0.6313,"Temazepam",0.0216224653209125,0.0137144352596693,0.605700451671973,0.368303700614706,0.641551896670441,0.6342678809342418,-0.6568358083529292]
[4667,0.749,"Geranylgeraniol",0.127203602168789,0.106506876624366,0.485897531485838,0.517064999906985,0.829698245621003,0.8372945011654614,-0.2561929444634911]
[4679,0.881,"Palmitaldehyde",0.531028333215673,0.306660101876043,0.837238373876666,0.135182133981578,0.403552819735241,0.5774835026580312,-0.7921483621654326]
[4687,0.8732,"Tyr-Glu",7.68553041339481E-3,0.0129794622754657,1.1581217135548,0.0933318858549061,0.390218232739074,1.6888180226109446,0.7560138799326512]
[4688,0.8589,"Tyr-Gln",3.46297730246379E-3,0.00276329294496126,0.663311006839546,0.538227153898179,0.838664907271304,0.7979529473078762,-0.3256244169697648]
[4688,0.9773,"N-Acetyl-D-Glucosamine 6-Phosphate",0.0604641601319944,0.0703136954033013,0.656685472064097,0.681077955972562,0.865369462623986,1.1628987362067906,0.21772547416892177]
[4699,0.7557,"Nadolol",0.0107324488226218,0.0271917228910462,1.83756515666131,0.00120812252483768,0.0318860809750521,2.533599119870167,1.3411882713107717]
[4725,0.9717,"(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahexaenoic acid",0.0266781416761339,0.0385658322842658,0.981005223547733,0.292223497802056,0.664549759515313,1.445596651837506,0.5316650698769793]
[4736,0.922,"Eicosapentaenoic Acid",0.787547103468884,0.96012392986882,0.983270330401818,0.148209767036085,0.422287499171872,1.2191320692308971,0.28585442235163067]
[4745,0.8157,"Arg-His",0.0123953197502388,0.0154957218541795,1.12039968144199,0.186696920502524,0.556999752889981,1.2501268354840922,0.3220744754001175]
[4761,0.9069,"Met-Tyr",0.00216661742570244,0.00418220901711532,0.126666058480283,0.245089349510895,0.615112824259935,1.9302941846133284,0.9488207367884608]
[4764,0.9924,"Phe-Phe",0.0125811439233836,0.0350705946652363,1.63394096428904,0.00981059697300895,0.0976723521843212,2.78755213983788,1.4789987902103572]
[4772,0.7478,"1-Palmitoylglycerol",0.0236990789398871,0.00887860051231937,1.44751872915923,0.0386242904883116,0.220256238797271,0.3746390538990992,-1.4164267950668126]
[4785,0.805,"Tyr-Asp",1.42144918440223E-3,0.00116278162121345,0.649339205243579,0.572023014908113,0.853946055460007,0.8180254587872876,-0.2897823511156776]
[4798,0.6828,"16-Hydroxypalmitic acid",0.154617715954618,0.123448062219097,0.475470034783775,0.448740130942125,0.784755252401993,0.7984082642595132,-0.32480144091495683]
[4809,0.9924,"(-)-Medicarpin",0.00443899160263555,0.00156841539980144,1.12930495176264,0.0468562387001944,0.250548789726262,0.35332695805737263,-1.500924267051524]
[4814,0.9376,"Arachidonic Acid (peroxide free)",2.59012806712318,2.70705731091723,0.231362103045732,0.729112980096692,0.884409248061366,1.045144193940928,0.06370199831811763]
[4815,0.6716,"Trp-Gln",0.0130857876839643,0.00761095738092261,0.891576497428747,0.137663216679764,0.481187499644673,0.5816201183096754,-0.7818509217722002]
[4876,0.9878,"Dihomo-gamma-Linolenic Acid",1.96175038057215,1.2855626875837,0.804291919675572,0.225245958284989,0.506460043399938,0.6553141012817146,-0.6097415184007015]
[4893,0.9231,"Pyrethrosin",0.013745546833898,0.018539157730435,1.12449070993837,0.140859962088535,0.413881362710338,1.3487391920062024,0.43161139885951755]
[4896,0.7833,"Ile-Trp",0.0138484376547832,0.0155674769765249,0.0969366049276892,0.813450090974873,0.94866207393094,1.1241323652959472,0.16881192124637]
[4897,0.9826,"Leu-Trp",0.0123320580213437,0.0215589865793919,0.237615720242146,0.326130864512688,0.696312580393203,1.7482067098677856,0.8058757807593205]
[4907,0.8303,"cis-9-Palmitoleic acid",0.0562495092269209,0.0416255318077708,0.533531590747651,0.376825549466683,0.744369697464867,0.7400159108916973,-0.4343718047974291]
[4911,0.9583,"Hexadecanedioic acid",0.394409825572552,0.229824481444328,0.754551245702607,0.222458425706294,0.503434303898389,0.5827047566847484,-0.7791630072714805]
[4917,0.9973,"11(Z),14(Z)-Eicosadienoic Acid",0.233979823999558,0.328188549326619,0.718357251272898,0.326829776578294,0.613325598540692,1.4026361064671926,0.48814077126039546]
[4926,0.9892,"His-Tyr",0.00717916068102773,0.0109413340721875,0.380259973102057,0.422775636270212,0.774229366421668,1.524040839634919,0.6079015631654449]
[4963,1,"2E-Eicosenoic acid",0.492794894792724,0.402377767996812,0.0890977305220347,0.694043590047287,0.873476361194324,0.8165217867487393,-0.29243671404218746]
[4968,0.985,"N2,N2-Dimethylguanosine",0.00722582415860135,0.00819853028442442,0.487095652234626,0.720307914908339,0.880147645759104,1.1346152500355544,0.18220316009873913]
[4993,0.979,"Ile-Asn",0.0195758645678398,0.0632207870028223,1.76830939648762,0.0029593361770451,0.0502986789135171,3.229527195783962,1.691322969183558]
[5006,0.98,"Arg-Phe",0.0845696178895745,0.0814407113483313,0.070456676239608,0.942907618112848,0.984134431199355,0.9630020021453954,-0.054389297356290806]
[5007,0.9597,"Phe-Arg",0.0189598406957943,0.0332338888784027,0.346592162294079,0.318237413007261,0.690178752980756,1.7528569681376434,0.8097082780270899]
[5017,0.9256,"Piracetam",0.00323277419806701,0.00318698102342436,0.170611500011793,0.951464197477557,0.98559434399037,0.9858347129007551,-0.02058231326139896]
[5033,0.7503,"D-Glucose 6-phosphate",0.00209848499941635,0.00564130707452149,1.78024937517278,0.000534921355508121,0.0229506733958484,2.688276102088174,1.4266813191647347]
[5049,0.999,"1-methylguanosine",0.00833617585216511,0.0111542089861524,0.398531599548643,0.546934510465104,0.77272835530271,1.3380486669142635,0.4201305899995508]
[5057,0.9822,"Tyr-Val",0.0112848506298636,0.0529952303648858,1.87711638884312,0.00141054944983207,0.034743684706019,4.696139284701046,2.231475198560291]
[5064,0.9975,"Benztropine",1.53776137677824E-3,1.22697007874263E-3,0.883968095361378,0.258935903797125,0.629718917516393,0.7978936766595426,-0.3257315819932405]
[5116,0.8588,"15-Deoxy-delta-12,14-PGJ2",0.0345676903784234,0.0271387167577672,0.373506067639745,0.46648316900382,0.718379010414051,0.7850890950674203,-0.3490717087579887]
[5125,0.9996,"Arecoline",0.0184304526034549,0.0131033480854088,0.68995514279249,0.387454105092079,0.749343239230389,0.7109618177771987,-0.49215601293667727]
[5129,0.897,"N,N-Dimethylsphingosine",0.00361000536378678,0.0110124866640858,1.25553733457608,0.0100818199270643,0.0991650664349162,3.0505457899192856,1.6090673862709124]
[5141,0.9439,"Oxprenolol",0.00994765121360182,0.00652136916942935,0.392904455023321,0.385287080127134,0.749343239230389,0.6555687397355088,-0.6091810325546223]
[5143,0.7295,"Etodolac",9.30054313579666E-3,0.00999543452684562,0.531539909509079,0.849951543370046,0.957187863971189,1.0747151409227282,0.10395431633795182]
[5153,0.9105,"Tyr-Met",0.019526618560854,0.00304233662340563,0.196788162114031,0.17461606395238,0.537877174772971,0.15580458100947167,-2.6821904423447362]
[5156,0.737,"Benzylbutylphthalate",0.0401989055327339,0.0219250482771393,1.00132364918329,0.272127687760536,0.639676462126813,0.5454140600739931,-0.8745762033295121]
[5160,0.9852,"Desipramine",0.0236140757519307,0.0256884402116823,0.252115191516423,0.894748540526125,0.965849367996848,1.0878444060882628,0.121472223300256]
[5175,0.7379,"5-Oxo-ETE",0.0369640674724286,0.067726716716203,1.01042001972783,0.290892917766232,0.577167227302162,1.8322311733339463,0.8736015403245267]
[5184,0.6276,"Retinol (Vitamin A)",0.074534060868371,0.0413455091401328,1.23604928481653,0.0938548724300643,0.391496481756889,0.5547196631772149,-0.8501692292303535]
[5189,0.751,"Pseudoephedrine",0.0250678218027073,0.0175743244123857,0.467103881578881,0.271970478126954,0.639676462126813,0.70107106036982,-0.5123674120675168]
[5206,0.9637,"N-Tigloylglycine",0.00637590739129168,0.0120756436285824,1.32253960962105,0.0995263456013244,0.40302578600806,1.8939490314861718,0.9213975066185729]
[5212,0.8721,"Dextromethorphan",0.0343215085183112,0.0316455744431939,0.576155892335376,0.847711073230251,0.957187863971189,0.9220333199023104,-0.11710920801881784]
[5222,0.6355,"5(S)-HETE",3.43162083260556,1.23639167289425,0.343412750159279,0.196282128569831,0.480126268060533,0.3602937892049929,-1.4727543122883144]
[5224,0.8736,"20-HETE",5.41622889398128,2.89698081402238,0.906949445869327,0.236313594618996,0.521020257194347,0.5348704552057642,-0.9027385795662206]
[5254,0.9999,"N2,N2-Dimethylguanosine",0.00323949340335353,0.00401109909807672,0.757525284922158,0.647803442521693,0.886440235511133,1.238187148004198,0.3082293897475847]
[5256,0.9367,"Lomefloxacin",0.00948491069485218,0.0187618280607644,1.06149891218913,0.158617563111011,0.512238080154195,1.9780711347073785,0.9840943087280922]
[5282,0.8152,"Triflupromazine",0.0116222091961899,0.00709208817243369,0.789897605397774,0.170795790635218,0.532651423384529,0.6102185955109708,-0.7126019502990631]
[5305,0.9791,"Uridine 5'-monophosphate (UMP)",0.0738840774783051,0.0508730413335387,1.29453056072371,0.0907148659413023,0.320844730620531,0.6885521626561119,-0.5383621421180009]
[5308,0.9373,"Isopentenyladenosine",0.0106214455762954,0.0208286205317356,1.5018176614781,0.0143282676490773,0.122950182398273,1.9609967760151445,0.9715871636632663]
[5310,0.9969,"Ile-Tyr",0.0116551233563764,0.0103766037411673,0.580387102174161,0.781619201713842,0.934003847140811,0.8903040683383556,-0.1676299464894605]
[5313,0.9337,"Sucrose",0.018097795966276,0.036662120763568,1.71681002111592,0.000156081029238947,0.0145549130990207,2.0257782125450716,1.0184762327884187]
[5317,0.7212,"p-Hydroxyphenylbutazone",0.00757589665235567,0.00665252382489106,0.574233342752387,0.432241206892811,0.692856624957797,0.8781170243158618,-0.18751487819065973]
[5334,0.6687,"(2E,6E)-Farnesol",0.00626419040356467,0.00346552897427474,0.859264816981613,0.176354954649085,0.538629878436696,0.5532285500617388,-0.8540524843684724]
[5338,0.6983,"MG(18:2(9Z,12Z)/0:0/0:0)[rac]",0.0284195453660372,0.0182433317275805,0.747662851873744,0.317850077415443,0.690178752980756,0.6419290489207546,-0.6395142468027525]
[5351,0.9581,"Tyr-Arg",0.0134211470762525,0.0205868466419399,0.378542799800118,0.406544173867011,0.759896756797351,1.5339111124388505,0.6172148835193516]
[5352,0.9613,"Arg-Tyr",0.0191605907150511,0.0185136474519712,0.0563704657980518,0.945495769240559,0.984276935974285,0.9662357349676224,-0.0495528849374693]
[5361,0.9382,"Erucamide",0.962342543353569,0.550882541314377,0.817477347962343,0.253176538219725,0.623549203926088,0.5724391435451486,-0.8048057675683574]
[5371,0.9988,"1-methylguanosine",0.0105390231063971,0.0114920851472484,0.543209989209141,0.754195665352633,0.930541946592461,1.0904317251446958,0.12489944180005859]
[5421,0.7107,"L-Fucose",0.00591464027789571,0.0236826045642305,1.57601754268081,0.0340076261748605,0.177876768113189,4.004065074377814,2.0014654211567398]
[5429,0.7995,"1-Stearoyl-rac-glycerol",0.0185535397417467,0.0152886314001864,0.774440378899341,0.403839077812448,0.75962214845306,0.8240277388031763,-0.2792351919931743]
[5438,0.9999,"Pro-Tyr",0.0188862349760148,0.0512950737799258,1.86765946355504,{"v":1.5203869577647e-05,"d":"1.52E-05"},0.00489098185511638,2.716003154946959,1.4414851554382002]
[5459,0.845,"3.alpha.-Mannobiose",0.00783390456840023,0.0195338079524149,1.85403199352627,{"v":1.12502739122578E-5,"d":"1.13E-05"},0.00489098185511638,2.493495776194261,1.3181697591815897]
[5478,0.993,"11beta-Hydroxyprogesterone",0.0249871233147857,0.0176325452302515,0.684918649477616,0.330755085949178,0.614431903004784,0.7056652743942615,-0.5029440777995688]
[5484,0.9843,"7Z, 10Z, 13Z, 16Z, 19Z-Docosapentaenoic acid",2.18007410813268,1.27125825451298,1.67779329877176,0.0160482726008504,0.132241352437175,0.5831261651934682,-0.7781200361497035]
[5501,0.8604,"Linoleic acid",0.0150180277197914,0.0139349263696292,0.594737085999944,0.856805856223058,0.958450100306661,0.9278799206945901,-0.10798998029692711]
[5522,0.9999,"Oxyphencyclimine",0.0319836677359562,0.0212546876221694,0.660134127491672,0.41062342254199,0.762828255072852,0.6645481624446334,-0.5895543337574877]
[5523,0.6822,"Desoxypeganine",0.0332959865352799,0.0341845926284492,0.365254015823532,0.881442373422289,0.962191400289587,1.0266880842298438,0.03799794632553854]
[5546,0.9768,"Adrenic Acid",0.267094965488967,0.171259741368555,1.32097736349897,0.044359255035456,0.204272361788656,0.6411941949374905,-0.641166730799776]
[5578,0.8222,"Arg-Lys",0.00377115573371429,3.56930265322758E-3,0.276158210098326,0.718671832219086,0.914278787391201,0.9464744776562435,-0.07936449171085554]
[5592,0.9504,"Adenosine 3'-monophosphate",0.0153185159146511,0.0138654534079306,0.139712798721101,0.755613829261429,0.930541946592461,0.9051433889016138,-0.14378173907719152]
[5599,0.6197,"15-keto-PGE1",0.141954015491543,0.0809947410482633,0.969887582612229,0.209226148242087,0.491698643491874,0.5705702707162139,-0.8095235169261187]
[5602,0.9862,"Docosatrienoic Acid",0.145917675231214,0.0967968844980381,0.671795521589505,0.536753445152419,0.76716214302308,0.6633664108522734,-0.5921221308827345]
[5639,0.847,"Asp-Arg",0.00318476809851822,0.002660759485701,0.639579290558689,0.603554902941281,0.868338901138822,0.8354641227846304,-0.2593502187158449]
[5640,0.7809,"Berberine",0.0190779798338285,0.0288777978168035,1.20295276428527,0.0969781813744132,0.333888386771217,1.513671681610558,0.5980523158402742]
[5643,0.6635,"Yohimbine",0.177890123897484,0.0989715691503766,0.985988794191346,0.162402520897502,0.432389383255984,0.5563634842787155,-0.8459003600876877]
[5648,0.6682,"Bestatin",0.00800112242908837,0.0143921042300648,0.284186156946557,0.427404954874935,0.778749978447556,1.7987606560976726,0.8470032337084391]
[5669,0.7011,"Erucamide",0.112090466862697,0.11669088902939,0.0134685535661937,0.944768306227004,0.989335286751904,1.0410420466205053,0.05802833878705712]
[5674,0.7602,"Salidroside",0.0402969858985288,0.00726800978331112,1.76306006250271,0.017171471136271,0.136295115672153,0.18036112680021726,-2.471039666581241]
[5685,0.942,"Phe-Trp",0.00302524915833282,0.0117435391278293,1.80087835180688,0.0133016748876226,0.117498128174,3.881841961837295,1.956741384018927]
[5685,0.968,"9-cis-Retinoic acid",0.0227768439449379,0.00867128139079767,0.885957679823337,0.0429629619066849,0.201492735602082,0.3807060105324575,-1.393250747742853]
[5697,0.9993,"Erucic acid",0.128421325206928,0.0392178349764942,1.03877532839772,0.0391809877653184,0.194292718826859,0.305384132372888,-1.7113029926139862]
[5753,0.9997,"Norethindrone Acetate",2.03161974303061,2.90330164855313,0.429899459066334,0.467068115923441,0.718379010414051,1.4290576071200283,0.5150640744681854]
[5761,0.962,"Behenic acid",0.0432271502371439,0.0194479628784922,0.963557668824031,0.0967888665408268,0.333888386771217,0.4499015727800881,-1.1523186845428253]
[5808,0.8813,"Cellobiose",1.67621954551766,4.75443307191918,1.74011913378589,0.00016013116920033,0.0145549130990207,2.836402358290654,1.5040622008202285]
[5810,0.6778,"D-Maltose",0.0151144071868673,0.0184485843490266,1.07751420869902,0.11253544287426,0.363965116735832,1.2205959599299614,0.28758572033251456]
[5812,0.6249,"alpha,alpha-Trehalose",0.0253596295175763,0.0180033155943949,1.50711677012651,0.0130295434515949,0.116476221764258,0.7099202920893276,-0.49427104303458175]
[5844,0.7451,"Behenic acid",0.0198351304559945,0.0224983974790498,0.662312264425177,0.806971608301556,0.946720597760029,1.134270204522422,0.18176435834828966]
[5854,0.9986,"Enoxacin",0.00945398170412306,7.17177068936313E-3,0.993437465291578,0.183378058044697,0.550745434327573,0.7585979023246242,-0.39859271259089113]
[5868,0.8399,"Ile-Ala-Arg",0.0922952148037706,0.0687958646296835,0.635802082693929,0.520332508834026,0.831977977745267,0.7453892899642824,-0.4239340048606078]
[5889,0.9852,"Isomaltose",0.290370096825199,1.14001213479353,1.87107021403857,0.000824470752076087,0.0268958693571178,3.9260658974805187,1.9730843880792983]
[5919,0.916,"Arg-Trp",0.00830343494754521,0.0102277207890856,0.936957805609007,0.334112325441779,0.702886579234357,1.2317457598808883,0.30070450537500526]
[5922,0.7246,"Decanoyl-L-carnitine",0.0144662294984838,0.0115092649229905,0.718741535483994,0.55829619330539,0.848987122646678,0.7955953501357614,-0.3298932505353148]
[5932,0.9752,"Adenosine 3'-monophosphate",0.0107982239958236,0.0128993477034892,0.648470566896237,0.612578898133206,0.821524743999833,1.1945804892062106,0.25650406389596736]
[6008,0.7324,"Tetrahydrocorticosterone",0.0652247810806439,0.043999383480024,0.709332564035261,0.495593650434813,0.741048631454772,0.6745807766778577,-0.5679368879850368]
[6021,0.9893,"AM-580",0.0162359335372305,0.0198950943931594,0.869778539954381,0.330448773075783,0.614431903004784,1.2253742199386382,0.2932224045771222]
[6031,0.9939,"Gly-Val",0.00540709972829112,0.00690871153561341,0.846244680182212,0.43828157029969,0.783515267539723,1.277711135872995,0.35356170956467986]
[6064,0.7388,"5(S),14(R)-Lipoxin B4",0.039194631393548,0.0424191811236022,0.0480129067484212,0.887167920059559,0.97179610138221,1.0822701889367687,0.11406071319271505]
[6065,0.9005,"5(S)-HpETE",0.147309436360003,0.220646303258787,1.47186161441956,0.0220670758448651,0.1479497130508,1.497842288389179,0.5828857267759737]
[6091,0.6184,"13,14-dihydro-15-keto-PGF2alpha",0.0044525784906,0.0100727140750924,1.46496538284927,0.011402184188828,0.108395563525225,2.2622204406631505,1.1777395186981943]
[6096,0.7067,"Lathosterol",0.0284301983837084,0.04407461054389,1.0392716105649,0.153148616836365,0.500993222145413,1.5502744634081222,0.6325236554636267]
[6105,0.9767,"Phe-Tyr",0.005053206487423,0.00487065190924037,0.293965677147599,0.944211921520761,0.984134431199355,0.9638735170159793,-0.05308425169549272]
[6169,0.6126,"Compactin",0.0342036894451119,0.0309219173267365,0.546422835147657,0.837693934013642,0.957187863971189,0.9040521016412045,-0.1455221755506946]
[6192,0.8811,"Lys-Trp",0.0169315657148489,0.0281014682249357,1.298449452495,0.0667447237296122,0.319029156925096,1.6597087769792518,0.7309301193635187]
[6257,0.988,"(-)-Tylocrebrine",0.0643388141660643,0.113959409029502,1.04536790834658,0.186352399950989,0.556893904994499,1.7712388782199568,0.8247587943501878]
[6278,0.9557,"Riboflavin",0.00335639746588916,0.00263534619924031,0.673263952176438,0.675363389496981,0.894863206223783,0.7851710728610526,-0.3489210726292002]
[6281,0.6693,"N-Methyl-1-deoxynojirimycin",0.0100388326158293,0.00828873677048896,0.653454492263911,0.590119149360033,0.862445017961703,0.8256673945752641,-0.276367360255983]
[6283,0.9761,"Cortisone",0.0095439214010423,0.0106881521361239,0.479599894327435,0.785519067969506,0.91809875218306,1.119891047610329,0.16335838164166136]
[6320,0.6251,"alpha-Guanidinoglutaric Acid",0.008856628571499,0.00707924697967383,0.983730715470062,0.272551687134304,0.639676462126813,0.7993162321896554,-0.3231617076893259]
[6373,0.9876,"N-(omega)-Hydroxyarginine",0.00925560241080771,0.0244775819338179,1.86182274980655,0.00104128858051456,0.0312733670347872,2.6446233154133303,1.4030622479780162]
[6380,0.9998,"Enalaprilat",0.0151102951300817,0.0107655193010096,0.792516849475519,0.331052566505326,0.614431903004784,0.7124625434732585,-0.4891139260080126]
[6382,0.746,"20-Hydroxyarachidonic acid",0.0206020801355106,0.057219499881814,0.799754714339611,0.209862694878002,0.578514579611104,2.777365174072306,1.4737168783403958]
[6385,0.7701,"24,25-Hydroxyvitamin D3",0.0442581811854125,0.0655575058981614,0.861052528127872,0.300783008190326,0.671113049348152,1.4812516949921375,0.5668168048837082]
[6434,0.9994,"Dihydrocapsaicin",0.00883951913416935,0.0138154581052257,1.39404886732997,0.019714187693513,0.151170069037066,1.5629196447826843,0.644243606198348]
[6452,0.9476,"S-Adenosyl-L-homocysteine",0.0535950708750165,0.0480161877718863,0.64178754870319,0.772608004058728,0.930541946592461,0.8959067874704348,-0.15857945663304956]
[6457,0.6493,"Perindopril",0.0265257091661677,0.0189329502488795,0.669659685546913,0.389991411822732,0.660607717694305,0.7137584948351765,-0.48649208399695715]
[6461,0.9773,"Tetracosanoic acid",0.0380045923304527,0.0179975703629756,1.10750451892374,0.158216417946764,0.429648479161697,0.4735630422367227,-1.07837160020069]
[6471,0.9848,"His-Trp",0.0111041110616129,0.0151748835223783,1.22147826382677,0.0676477255232957,0.320229656752571,1.3666004814053174,0.4505915401360345]
[6493,0.8658,"Androsterone sulfate",0.0106391964859628,0.0162502594722223,0.7288963933558,0.327729324512335,0.614120243411582,1.527395371789839,0.6110735572814386]
[6597,0.8601,"Dioctyl phthalate",0.0338946696956239,0.012538709296813,1.21991608894898,0.0585007470547038,0.293188300621648,0.3699315971924593,-1.434669563373772]
[6640,1,"Lithocholic acid",0.0649742633545815,0.13549241748488,1.46088784323562,0.0210811726342961,0.143293684956621,2.085324411382128,1.0602718394421904]
[6670,0.9459,"Phytosphingosine",0.00999645864599153,0.00551409031765698,0.844331070104634,0.0928813913667385,0.390145145088258,0.5516043744019358,-0.8582941969496176]
[6772,0.971,"S-Adenosylmethionine",0.122127833265701,0.140485801019128,0.339103953928997,0.749380059371992,0.929149566735181,1.1503176406436972,0.20203229187005692]
[6804,0.9179,"L-Palmitoylcarnitine",0.012203958342947,0.00897612407593705,0.701734852860552,0.378742614719809,0.745895291502837,0.7355092359131656,-0.4431846371292663]
[6818,0.9921,"S-Adenosyl-L-homocysteine",0.0186913500720028,0.0608067136934378,1.76204077667362,0.00372733207439865,0.0623636892291685,3.253200729706428,1.7018598426119411]
[6845,0.7343,"Prednisolone",0.0170594437787133,0.0123278956511095,0.691681255272627,0.380826809320743,0.748269141742925,0.7226434701518343,-0.46864405311704077]
[6920,0.9771,"(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahexaenoic acid",0.00513616980342011,3.34148556313053E-3,0.886029192696227,0.341115778154614,0.623855875998126,0.6505792625675025,-0.6202032581643883]
[7006,0.9864,"RU-0211",0.011566601222595,0.0118966481592488,0.522972397400561,0.944812744714142,0.984134431199355,1.0285344787377178,0.04059015698406854]
[7014,0.9828,"Deoxycholic acid",0.0303026510185208,0.0231852720837763,0.762904883630231,0.554607073339795,0.780918419907614,0.7651235553485272,-0.3862353558463524]
[7059,0.9876,"Trimethobenzamide",0.0396857686064737,0.0414070055364547,0.122438362386796,0.893072492003129,0.965849367996848,1.0433716415334897,0.06125312707807187]
[7073,0.6745,"L-Dopa",6.36277857189656E-3,0.00558941147624604,0.620716703929837,0.778732136711515,0.931171407003418,0.8784545011410004,-0.18696052997201124]
[7083,0.9831,"Isopentenyladenosine",0.0267049036680501,0.0315978378661354,0.482896048290684,0.723517678368023,0.881584282936877,1.183222312235458,0.24272116296538948]
[7125,0.9176,"Estradiol Cypionate",0.0118045604628131,0.0094311149269483,0.455454200371613,0.635475107364761,0.83498807038854,0.7989382541313873,-0.3238440859777169]
[7232,0.9874,"Aristolochic Acid",0.08476753942318,0.162753740887439,0.385902437025749,0.319040927312611,0.607206926175614,1.9200007691025816,0.941106888852816]
[7292,0.9928,"Uridine 5'-diphosphate (UDP)",2.52325702049E-3,1.62573462122776E-3,0.31926873978163,0.368453488962527,0.73527484729842,0.6443000487172142,-0.6341953910420635]
[7329,0.9682,"Lisinopril",0.00823215412873297,0.00774499056065201,0.00558124270250446,0.907069662792953,0.967755791801599,0.940821860176233,-0.08800651302786942]
[7357,0.9326,"Acetylcarnitine",0.0267519676211317,0.0226829422777826,0.585071423707262,0.725313633681849,0.882133996621096,0.8478980910497615,-0.2380372173302128]
[7425,0.7322,"Alfuzosin",3.6096350192298E-3,0.00382484900240546,0.512779895871449,0.901404503533426,0.96732330699241,1.0596220897761517,0.08354982477178097]
[7437,0.9636,"Stearoylcarnitine",0.00529939792050953,0.00350230574618585,0.872844692468941,0.247935878324334,0.61781164491041,0.6608874816951108,-0.5975234259051784]
[7478,0.8961,"alpha-Tocopherol (Vitamin E)",0.00464024061864928,0.00304647199769751,0.84103071545995,0.40154013237216,0.759084086644531,0.6565331947342642,-0.6070601383498325]
[7514,0.9979,"Tamoxifen",3.84978454072127E-3,0.0043936708129236,0.31895322096497,0.65316735253874,0.887173217090395,1.1412770679629856,0.19064907738616627]
[7621,0.8283,"Lunarine",0.0107380793049909,0.00819105556120676,0.839606332625943,0.329195316367723,0.701193806258436,0.7628045322220408,-0.39061467940287337]
[7708,0.9907,"His-Gly",0.00223439345304997,2.77529456901253E-3,0.369888649426244,0.609583528876513,0.871801205583711,1.2420796190680852,0.31275765532415123]
[7784,1,"Nervonic acid",0.0376584892224762,0.0306033562617438,0.760744663685387,0.692040795896256,0.872444593117074,0.8126549124407891,-0.29928524172696164]
[7951,0.9925,"1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine",0.192213806413386,0.0609475031505844,1.85042905223989,{"v":5.10062730812482e-05,"d":"5.10E-05"},0.00765944200770077,0.31708181783522466,-1.6570729423621042]
[8151,0.9628,"Ethynodiol diacetate",0.0527735950736026,0.0522805853107307,0.0142686898159212,0.975258528518576,0.989902274993068,0.9906580220243797,-0.0135409739802177]
[8222,0.9891,"1-Myristoyl-sn-glycero-3-phosphocholine",0.662899098158311,0.637405634419604,0.18692112855644,0.771577038518807,0.930541946592461,0.961542467308322,-0.05657751811040162]
[8293,0.6664,"Squalene",0.00840457304480877,0.00529268111812214,0.534058866346349,0.479417004174842,0.804651956988568,0.6297382496296176,-0.667175797116786]
[8333,0.9892,"1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine",0.551768651328731,0.186285474418798,1.76379790302125,0.000158872583333532,0.0145549130990207,0.3376151834110152,-1.5665483077285036]
[8382,0.9445,"Oleanolic acid",0.0660978919875247,0.0807868653617384,1.0936410520059,0.123009314798986,0.379447103659271,1.222230587580404,0.28951649152000014]
[8421,0.6198,"1-Oleoyl-L-.alpha.-lysophosphatidic acid",0.176931327265477,0.161563942417868,0.636873723289351,0.822196726224105,0.952769438656056,0.9131449185109488,-0.13108425699334672]
[8484,0.8731,"1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine",0.0334450058930912,0.0239430195063483,0.420995682650204,0.505035044968806,0.824030438570795,0.7158922196899435,-0.4821856943019557]
[8526,0.6502,"ponasterone A",0.035122709137696,0.0154083017185298,1.1792856722694,0.0712978529226039,0.276748244896949,0.4386991236388595,-1.1886962705068185]
[8561,0.9558,"Cholesteryl sulfate",0.00286231828844122,0.0094086563261575,1.6978036408469,1.17680581024784E-4,0.0145549130990207,3.2870755024527085,1.7168045947702428]
[8602,0.9995,"Cholic acid",0.0067478319122691,0.00439051154246011,0.837946931571371,0.255476553078986,0.542358081283074,0.6506551436880278,-0.6200349974484455]
[8640,0.8006,"11-Keto-.beta.-boswellic acid",0.0603563607821295,0.0756574782096996,0.609606841724819,0.540566391902961,0.769628791560682,1.2535129227357344,0.3259768693036098]
[8666,0.9502,"Maslinic Acid",0.02839749495364,0.0228123814698235,0.718556330020651,0.615938823997751,0.821524743999833,0.8033237265141023,-0.31594660712069433]
[8778,0.9956,"1-Palmitoyl-sn-glycero-3-phosphocholine",0.824924297403854,0.725885479937678,0.844156800762014,0.31166854800211,0.687425610158876,0.8799419319107654,-0.18451977262434477]
[8894,0.6072,"Estrone 3-glucuronide",0.0185630852216199,0.0310574736120024,1.56725932478109,0.00465458389453369,0.0673089337689922,1.6730771443009183,0.7425039684691817]
[8894,0.9963,"Gossypol",0.00275576802330172,0.00129464415079227,1.1876815174825,0.149992181139939,0.497374929795993,0.4697943149950411,-1.0898988395578704]
[8915,0.7798,"Fexofenadine",0.00382597271331956,0.00392369058685237,0.0492591023288079,0.958709414919423,0.986218691103197,1.0255406613833444,0.03638469397588775]
[8954,0.9821,"1-Eicosatrienoyl-sn-glycero-3-phosphoethanolamine",0.00952841345312989,0.0102804669790603,0.631038562533477,0.838425749049377,0.957187863971189,1.078927465692977,0.10959787835466112]
[8971,0.9914,"Phe-Ser",0.0142931213508994,0.00275152493045563,1.8710410692273,{"v":1.62851782079347e-05,"d":"1.63E-05"},0.00489098185511638,0.19250693133466534,-2.3770177029908797]
[9104,0.9693,"1-O-Octadecyl-sn-glyceryl-3-phosphorylcholine",0.00563786259522986,0.00525308036832516,0.403520156600235,0.718618922439705,0.914278787391201,0.9317503361592635,-0.10198466043394563]
[9171,0.9397,"Enterostatin human",0.0486825293619951,0.0570037934808224,0.695152809751998,0.72745013671543,0.883845923933492,1.1709291655113434,0.22765380371574798]
[9254,0.8461,"Folate",0.0458805362286123,0.0277594609756593,0.873336274008355,0.313881192750557,0.602047801439626,0.6050378495434361,-0.7249026985487294]
[9385,0.999,"Maltotriose",0.0316758986522963,0.171543306014639,1.88426766399664,0.00155271199640082,0.0368156186515037,5.415578193933992,2.437115375320263]
[9395,0.9775,"1-Oleoyl-sn-glycero-3-phosphocholine",0.253471430337912,0.300569996871996,0.894827959535743,0.406711039047658,0.759896756797351,1.1858141032750524,0.24587786038646806]
[9436,0.9942,"1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine",1.20426205647089,1.27580641141842,0.676058792602712,0.877443977912884,0.960020672859148,1.0594092909953436,0.08326006620605438]
[9533,0.9999,"Taurocholate",0.00206011690549735,0.0015085291640555,0.75922007899997,0.399233838647913,0.669931640507021,0.7322541551064615,-0.44958362032388977]
[9556,0.9602,"Adynerin",1.93809961222501E-3,1.36239043007694E-3,0.809899030620461,0.305815524997145,0.594305532767837,0.7029517066529235,-0.5085025164936218]
[9759,0.7741,"1-Palmitoyllysophosphatidylcholine",0.0147654553160892,0.0118405614755924,0.815307478785422,0.322522863328253,0.692712991320039,0.8019096751246346,-0.3184883502126922]
[9998,0.8177,"Cyclic adenosine diphosphate ribose",0.0579231666420333,0.0980681115281101,1.49307602772589,0.0167767185988159,0.135965164468426,1.6930723441653945,0.7596436202145164]
[10045,0.9765,"1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine",0.00657881404302535,7.02375980131008E-3,0.620077471351885,0.858044143357369,0.958450100306661,1.067633125875696,0.09441597435720042]
[10178,0.9986,"3-Acetyl-11-keto-.beta.-boswellic acid",0.0290868239771366,0.06229066970495,1.64642801380926,0.0199715381926885,0.142057860069386,2.141542498896165,1.098650307786209]
[10291,0.9989,"alpha-Linolenic acid",0.111420820849309,0.111555576883718,0.614926962710343,0.997369955359904,0.998724157607507,1.001209433150661,0.001743788923108576]
[10367,0.983,"Tyr-Thr",0.00666714629355228,0.00260335230649717,1.57459629978798,0.0134997799403917,0.118090308022261,0.3904747536460752,-1.3566988217238207]
[10402,0.9291,"Cer(d18:1/18:1(9Z))",0.142730086176828,0.0615170301845369,1.31247298977642,0.00580499978214586,0.076449773916653,0.43100254355850093,-1.2142317114931573]
[10407,0.9873,"Maltotriose",0.056270315154913,0.247533261020102,1.76942977253491,0.0021306422481041,0.0455463379123703,4.3990025706918345,2.137176444331301]
[10737,0.7889,"1-Stearoyl-sn-glycerol 3-phosphocholine",0.859449790666926,0.84187901501407,0.621921830957612,0.95781720614398,0.98982376103463,0.9795557857554178,-0.02980043849360411]
[11123,0.821,"1-Stearoyl-sn-glycerol 3-phosphocholine",3.30949746240651E-3,0.0048016703845694,0.860979742616935,0.312107950800572,0.687553211910306,1.450875983170524,0.5369242071294131]
[11508,0.6752,"Dehydroabietic acid",0.00690348817417979,0.00517268242422976,0.569662252827874,0.426497308794397,0.778141880306889,0.7492853313744297,-0.41641288652302466]
[11771,0.7853,"Fungichromin",0.0100531224625859,0.0185388135600211,1.05567472323506,0.117813686208332,0.369734440760191,1.8440851217137646,0.8829052511251613]
[11906,0.9998,"Nicotinamide adenine dinucleotide (NAD)",0.0900488073001987,0.162560266812219,1.55107383224009,0.00842818448018148,0.0921480820797152,1.805246195768995,0.852195602316982]
[12036,0.8178,"1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate",0.0121874565513496,0.0218253024628722,1.04571875895419,0.268054392391688,0.557051769406463,1.7908004324704923,0.8406045717586959]
[12189,0.6132,"Galactinol",0.198774063384977,1.51247685065289,1.76559684669807,0.000646576397953771,0.0310308425766437,7.609025166042867,2.92771163399139]
[12306,0.9802,"Nicotinamide adenine dinucleotide (NAD)",0.0568747707824786,0.115617016806358,1.74961532235699,0.000430501285206509,0.0220349456188794,2.032834861850135,1.023493022036294]
[12675,0.9307,"Stachyose",0.00444619399530569,0.0143149601604842,1.80100185257317,0.00315791992680741,0.051835769919272,3.2195986445031406,1.6868808530372073]
[12713,0.6164,"Sucrose",0.00614202061595105,0.0075175732372952,0.462434694636344,0.636950860008763,0.881187629753236,1.2239576692028336,0.2915536630246802]
[12875,0.8199,"PS(16:0/16:0)",0.329540961421434,0.688800437421857,1.17703018516767,0.0540742302511542,0.231858981454804,2.0901815496647274,1.0636282578208216]
[13080,0.9894,"1-Palmitoyl-2-oleoyl-phosphatidylglycerol",0.117398049293644,0.0602877360035172,0.789891604746283,0.0804362625827263,0.295869045659654,0.5135326895655771,-0.9614719788637237]
[13097,0.9938,"Salinomycin",0.0233123175837936,0.0261622162108492,0.0207289710349456,0.753110956439841,0.900224286051996,1.1222486188604779,0.1663923207450012]
[13199,0.8753,"1-Stearoyl-2-arachidonoyl-sn-glycerol",0.0408855749186859,0.0469044499060967,0.440422487778334,0.510782236028103,0.827724450829714,1.1472126782950043,0.19813287302646093]
[13412,0.9894,"1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine",0.0243326591090792,0.0116510490446449,0.90570591412086,0.0449308545632422,0.24534969673625,0.4788235018793144,-1.0624341297140778]
[13501,0.9994,"Ginsenoside Rg3",0.0828265635408409,0.0577430751671009,0.811789908300715,0.258950117064901,0.545477796597156,0.697156476118056,-0.520445590898034]
[13565,0.9162,"2-Oleoyl-1-stearoyl-sn-glycero-3-phosphoserine",2.3260976092201,1.90815831265903,0.451555029258524,0.600331435227692,0.816404006098899,0.8203259850728286,-0.2857307661430489]
[13654,0.9946,"Sphingomyelin (d18:1/18:0)",0.00967134201302911,0.00218902114497375,0.136184304239184,0.106717487356497,0.42264815871738,0.22634099197657662,-2.143430204203199]
[14018,0.9979,"PC(16:0/16:0)",3.36242859359444,3.62439950474085,0.0691208402483067,0.769926358574032,0.930541946592461,1.0779112191840967,0.10823835720228313]
[14348,0.9813,"Solanine",0.0028158216888416,0.00140475535776765,1.03187475066197,0.145561369685202,0.418994456556569,0.4988793727011712,-1.0032370758054927]
[14383,0.9604,"Thioetheramide-PC",1.21664730760718,1.15132203384693,0.644793855001047,0.897158500072198,0.965849367996848,0.9463071398327201,-0.07961958447649599]
[14483,0.998,"1,2-dioleoyl-sn-glycero-3-phosphatidylcholine",0.487521260151267,0.379234848932989,0.93051449934042,0.284487981000325,0.656398645022516,0.7778837148872663,-0.36237359069682595]
[15065,0.9999,"1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (SOPC)",0.00659909541837775,0.0101122293887713,0.728604239966215,0.277967008935186,0.647153165505433,1.5323659907401643,0.6157609121228134]
[15200,0.8233,"Maltopentaose",0.00314439956978171,0.00725646369878843,1.85804146418815,{"v":9.34494998392972e-05,"d":"9.34E-05"},0.00910332345720001,2.30774223750838,1.2064820916455659]
[16784,0.8871,"Raffinose",0.000932743226924726,0.00456677036727124,1.87147777164296,0.0054361038688469,0.0704738069903749,4.8960638206165035,2.2916223638081057]
["j",0.9976,"Nicotinamide",2.72090951565171,1.05237269150937,1.27359971400751,0.0610957447039297,0.299985100698859,0.3867723955742448,-1.3704432633334185]