sample91	sample92	sample93	sample94	sample95	sample96	sample97	sample98	sample99	sample100	sample101	sample102	sample103	sample104	sample105	sample106	sample107	sample108	sample109	sample110	sample111	sample112	sample113	sample114	sample115	sample116	sample117	sample118	sample119	sample120	sample121	sample122	sample123	sample124	sample125	sample126	sample127	sample128	sample129	sample130	sample131	sample132	sample133	sample134	sample135	sample1	sample2	sample3	sample4	sample5	sample6	sample7	sample8	sample9	sample10	sample11	sample12	sample13	sample14	sample15	sample16	sample17	sample18	sample19	sample20	sample21	sample22	sample23	sample24	sample25	sample26	sample27	sample28	sample29	sample30	sample31	sample32	sample33	sample34	sample35	sample36	sample37	sample38	sample39	sample40	sample41	sample42	sample43	sample44	sample45	sample46	sample47	sample48	sample49	sample50	sample51	sample52	sample53	sample54	sample55	sample56	sample57	sample58	sample59	sample60	sample61	sample62	sample63	sample64	sample65	sample66	sample67	sample68	sample69	sample70	sample71	sample72	sample74	sample75	sample76	sample77	sample78	sample79	sample80	sample81	sample82	sample83	sample84	sample85	sample86	sample87	sample88	sample89	sample90
Oxoadipic acid	1.03321022233986	0.98330454891975	1.03536928559063	0.516287550052724	1.0256413925931	1.26463489088572	1.1749833091191	1.04281528007703	0.852819189111753	0.727291895398809	0.847486203534672	0.990064991525998	1.05450037748662	1.23107301841865	0.420978264675463	0.52693893862887	0.655746305473674	0.323496085941385	0.588669618053442	0.741379016097611	0.591325003583647	0.645592245058325	0.344545609575597	0.862662667937198	0.584392658703378	0.270939162127561	0.291796550216636	0.111392859070221	0.625171608900833	0.632472893974933	0.769909153640692	0.866372442067205	0.448619092361484	0.546258196279518	0.237098658831942	0.622352542208673	0.148359777483114	0.752633144097108	0.38012178106619	0.590545430783402	0.283895665719324	0.195428612021111	0.402967318943615	0.220617801522606	0.450329180045427	-0.145425517505866	-0.163920397175295	-0.209369484235867	-0.936699204429623	-0.0507538660563711	0.185439577805787	0.0380119777023935	-0.0484646703740941	-0.299897283064684	-0.838968336233052	-0.45262214298518	-0.206562391160349	-0.0830111465939071	0.148263706021712	-0.724890423485489	-0.187713421393168	-0.040169882251715	-0.911346708035531	-0.0382725625701738	0.119734521273632	-0.0732269536697982	-0.0269715937111963	-0.342465134817144	0.270647487564051	0.0844539836360302	-0.253016525629865	-0.428417476895067	-0.780936714910658	-0.184616076679532	-0.0237360967552999	0.171955642797022	0.157736047414105	-1.31374383299895	-0.165934954307501	-0.55461835691907	0.0942985085316047	-0.572525213205861	0.428885679827325	-0.0770683022921465	0.331459884957656	-0.169552979057762	0.158678659059605	0.15342754414448	-0.0649405036727748	-0.057949304768713	0.179673687577472	-0.217503792621699	0.0751125988917069	-0.925099213461821	0.220706982291678	0.434334169216846	0.312454623830276	0.218729791684243	-0.2596852779255	-1.04128499041515	-1.28493585366012	-0.500903590660982	0.251508307584648	0.553173722477402	-1.50417115341384	-0.0230345451596906	0.116349767671635	-1.7886494522592	0.297028028693667	0.435846090679293	0.232251562649609	0.0792975756159756	-2.05090791881734	1.16957422215174	1.04882550005772	-0.095883279178543	-2.24219755229263	-2.26037484834326	0.717741667254835	1.14770618824164	1.05184800757089	-2.588579864817	0.634237629529497	-3.11502624999476	0.988130051644836	-3.29688430833736	0.961218648912681	-3.51372515899868	0.811521938720963	-3.74249925985648	-0.147741624498666	0.644849158529753	-3.80218104234862	0.991472852544058
3-Methylindole	0.212061639377147	0.486214337372465	1.01010463616536	-0.270279140808698	1.17408469419109	0.98255966117611	1.0745641183828	0.421408442386099	0.820246616977401	1.52706121974683	0.919707475625885	0.475449162210864	0.650260556502494	1.1068074745866	-0.344200299908034	1.26566641366883	0.561183582775243	1.83773955105374	0.9102433942183	-0.0543047004976147	0.642104543945796	-0.173747409109522	-0.766941445262748	0.650307271436695	1.21949779668224	3.52550796976316	0.576252882811969	0.0786889312893108	1.830351774339	0.128919079664623	0.228801928101498	-0.312029312275725	-0.163847679623819	0.667013954942173	0.823573360224325	0.495405830446849	0.570753059794062	1.52506458526087	0.735267543246385	1.15619031173603	0.780695087466044	0.498282736518023	0.598641158507001	-1.04781396002021	-0.30102685584951	-0.806815351854283	-0.262555633283224	-0.606681252977345	-1.86319690459399	-0.645339535586872	-0.261634184606454	-0.401501716962513	-1.27182350304984	-0.570327046798796	-0.293276958676841	-0.615682599414637	-0.681356667023294	-0.658748533260955	-0.330239784661633	-2.5008326914758	-0.225912355782292	-1.36217672387914	0.772095212095989	-0.310144560372477	-0.624320988138396	-0.385860946557873	-1.64649767157853	-1.26193158602421	-1.61254530086787	-0.37173161429121	2.47210590417492	-0.478444649917687	-1.57463943842836	0.120923592321291	-2.52498229863981	-1.77336839932545	-1.62443940261292	-1.55029107816177	-0.964590040974717	-0.83411477816279	-1.17474172684111	-0.540968075762236	0.520301190305373	-0.891621467037199	0.181578601565438	0.0217495515278146	-0.561125531306912	-0.0290592942906658	-0.588387479320933	-0.188548872915256	-0.183696139513207	0.0855629505464555	-0.112134914645092	-1.82649081833742	0.096059186225716	0.10319672316273	0.60282083017412	-0.744720980323162	0.0377598517787509	0.359018496124554	0.198660649121898	-0.338610550068733	0.099379562590908	0.368477160543513	-2.14637863426456	0.444886023715921	-0.563062550581567	1.58196001550472	0.439429756162983	-0.192823337252424	-0.00286419675867046	-1.06103505386902	-0.551485249164644	-0.643194945019745	0.67041926234732	3.33892640899589	0.703373938614877	1.40239255750368	-0.269847279510254	-0.801977626183748	-1.16154314271619	0.19848209389166	0.12158775777932	0.0451050141252152	-0.864736740162867	-0.427209340611596	0.851734274565422	-0.240842274638893	0.70589963739451	0.410862326563823	-0.401909527861397	0.882947467349578	-0.117708652140251	0.95254062302789
Isocitric acid	0.139905553423033	0.811331691593821	0.0864698102582062	-0.236982810439809	0.0780473842584875	0.15520381912455	0.210281147012269	-0.0630807431668963	0.949872806771468	0.530717022828065	0.926637633756787	-0.615952160203002	0.578335568850781	0.460476931981512	0.786535861840209	0.55155814164049	0.464068353494372	0.741871409127568	0.479553321750758	0.797405320516765	-0.191583400885507	-0.0717508428921999	0.529823825379083	0.10687873520802	-0.318558469159013	-0.0512713188290676	0.361190008417597	-0.133804021097953	0.128327767129528	-0.0328694818815624	-0.0857089827642576	0.72793531692756	0.479653467930013	0.458510169504009	0.609353816136666	0.54071674444856	-0.169085893539976	0.716315347047951	0.0117011617183909	-0.253454848940236	-0.396376045821395	0.329456922251209	0.763665105175203	-0.241989667698892	-1.31166502126844	0.0643723610362091	0.882886025014141	0.0116591741821619	0.0310838448756822	-0.252648905800589	-0.261810413407457	-0.0869840683516818	0.237819177712667	1.07371684375548	0.719839152462576	0.957757405964403	-0.136576266816181	0.746094693328046	0.0134635662756932	0.923448330844054	0.719559160609313	0.658066464512394	1.05944725926313	0.728006968393656	0.0627506314606366	-0.160486197429426	0.00968806346820211	0.809626524370418	-0.191305710046039	-0.451650524245481	0.230073924141228	0.112502214897046	0.146946731722897	-0.00212789041727396	0.355079475673557	-0.0288356945996299	0.864689525280964	0.628502629470872	0.701801869943639	0.930344943282504	0.90959311474111	0.0979538932216274	0.689690652859358	-0.0644264753952451	-0.182516364528674	-0.284360724920655	0.592021814426964	0.998377200642927	-0.458896132943393	-1.1512277725421	-0.560071777601068	0.750134239573294	-1.16409370231319	-0.273916810081979	-1.63510511556074	-2.41964262659038	-1.91648123500901	-0.0867075206934033	0.951120612528961	0.64952290322275	0.840641646208397	-2.59707940316743	0.642944118965402	-1.0383047544342	0.852307644126186	0.58844461760592	0.427740611203718	1.07807182511814	0.719427284556907	-0.696375567366848	-0.448665881343902	-1.69698536918962	0.652281609998937	-3.07302995125463	-0.927803504917687	-0.259125902552411	-3.37605590685373	-3.40204917141491	0.115165917354641	-0.417254154673915	0.591996685874252	0.21436515180351	0.53416614163472	0.759780160930018	0.64076471690846	-0.421592381702194	0.512616858081218	-0.727364168427977	-1.17903581881775	-4.15262667090926	0.378103723094869	0.97079693015728	-4.23797074819022	0.246267790814442
Propionic acid	-0.453318836581068	0.217038707406241	-1.83669996443943	-0.840218785702275	0.0160545759153582	-0.257991187050376	0.750023985362491	-0.2829290022964	0.249611740185065	0.297466042183314	0.481807427435818	1.76165688756011	0.548530487317502	0.630444646932013	-1.79027880878106	-0.000162947599921127	1.13981712589743	0.33541784754206	-0.793112868888671	0.52910141526575	-0.000442609988126277	1.41418407552808	0.494792209751114	0.0957768940251666	-3.08594404422973	-1.02154082975948	0.0737211967595741	-0.394110798193655	0.169756599484824	0.367855123324792	0.537869369336985	1.24562766631416	-0.449078434072222	-0.420152268157525	0.61078213371908	0.381342694064846	-0.554790352379123	-1.02010118924091	1.08503794365515	-0.306143634199592	0.470233530921779	0.802760944631552	-0.386348749480148	0.312298806520508	0.294087832755923	-1.2240971970589	-0.485949740486629	-2.41579398512777	-1.06649431843931	-0.786426545759001	-0.89518650710581	-0.380477817467626	-1.49631333520285	-0.17878615641787	-0.372337130327058	-0.734554460839836	0.540089210696808	-0.154598746010096	-0.234616038410578	-1.74919493636657	-0.395619304745028	0.0892873074862194	0.109746778054851	-0.851135787817143	-0.0458682320370514	-0.544742412248363	1.32540627742559	0.104735643243617	-0.428036981635941	-2.6204999312651	-1.02737321432166	-0.449939778744693	-0.731772670743597	0.17293599477749	0.0811165024165225	0.208474715580107	-0.132676776088413	-0.436730383896652	-1.06883830743682	0.0653262855082018	0.190138938078255	-0.488056529320159	-0.428735134440851	0.844875069312853	0.19059979161331	0.884930841192039	1.25498160844424	-0.494129157085981	-0.197773799146752	-0.24501050525792	-3.68662399005177	0.341226326629247	-0.0130913642577656	-0.159482195986085	0.862550656125214	-0.455635919193994	1.64820583068253	-0.419003796680032	0.11401160028789	-1.64550099775571	0.725771502011891	1.31529010247246	0.840563853697653	1.54057343138364	0.0597475907985211	-2.73903949844367	1.12277673592758	0.938710054403443	0.0165769549760282	1.83101316731896	0.577746416508401	1.66538943069085	1.16201282457515	-1.60369107629748	-0.802930203394388	0.167795882886189	0.809736968070913	1.60723298488581	1.04010299009535	0.416907162117995	0.932669836158889	0.357952448319576	-0.201970519991589	0.774993190843286	1.01006299825571	-1.0900135399353	-0.415102698818518	1.28243501674519	1.34137372164621	1.57988882121551	1.71482482913975	-0.488082522556211	0.753551744755761	0.447861508401882
Malonic acid	-1.94648972186311	0.995399368868158	-1.76113377430716	-0.667211220466657	-0.219234767304965	0.30853807492216	-0.695258969586229	0.0460475846049075	1.85676982344749	-0.407588623931146	-1.22200341266646	-1.8234703298955	-0.156418120806315	1.15985632272397	-0.02274872370031	-0.217293227132585	-0.148219439906245	2.91910604610624	0.0813965141912618	0.936745708333834	1.73222553154811	0.442984850359852	1.26475272538497	-2.86443347533717	-0.184044654166717	0.681557620371921	1.24078837257339	-1.67038463232209	-2.8201716667722	0.709254629041305	-0.652344250784479	-3.87117004379383	-0.313761474634463	0.743826949308267	0.571296110186096	-0.386126258757347	0.875601623174264	1.98529103073141	-0.451476027220905	0.941897749696151	0.431347433429615	-0.0818684772367762	1.4447914800667	1.09780930092422	-0.0291621264215736	-0.707157234339025	1.19945745706034	-0.217813452235833	-0.315221585753328	-0.652212072165997	-0.179129151983471	-0.966106775629312	-0.51011564034176	1.71136734873908	-0.428174325650863	-0.173253763036586	-0.189862420082569	-0.465506930694249	-0.751292232279572	-0.424998937825452	-0.157605370113993	-0.100456357050168	2.50910192886791	-0.712024778104943	-0.553377236307378	0.975935868615785	-0.406961598855378	1.18267831698222	-0.880613156561957	-0.363733418560118	0.343461470331568	0.15117739259479	-0.920076040209665	-0.55747319663179	-0.43362112824444	-0.795063141753571	-0.641961708011792	-0.641961708011792	0.271323877524042	-0.139220522418502	-0.242130305248832	-0.563310324868866	1.39150066726422	-0.573838537177969	-0.60747757373542	-0.319269897056802	-0.917673938437494	0.153957608284064	-0.508363513330216	-0.0810212955225445	-0.199076369198935	1.13716130966714	0.154894515960805	-0.00278283868347754	-0.471097722125311	0.182614475433728	-0.715690527433274	-0.117775936185812	1.51276700811056	-0.450419643268245	0.0870819473800893	0.290566316822637	-0.516886688696985	0.423058015339457	-0.255105716471381	0.32219252546667	0.393131719509582	2.5966974180084	0.144476946464668	0.644109354657338	1.10674365819692	-0.529740405007309	1.1451215478921	-1.04211528403974	-0.72836893559227	0.637908875469392	0.489614946266839	-0.00546306975629974	0.126538938572799	-0.207759360842786	0.498103288821516	0.209295733435347	0.643206927620165	0.0124959747628552	0.226648214557725	-0.115608649002991	1.72820470192477	0.490405988943885	-0.00321972752195313	0.128393851495781	-1.17069778306935	0.932922743193659	-1.05026422675901	-1.32943815933212
Arachidonic acid	-1.07979644930239	-0.262024566143924	-0.770332801951042	0.0542272485640819	0.240307776052104	0.628343810462673	0.670846260455372	-0.0422412358656274	-1.19862080462469	0.734887137543796	-0.280550710102872	0.696148909889913	-0.101337133074458	0.369606266534908	-0.0618033958248942	0.00895217079360247	1.74619397496765	0.363765796872207	0.179867653760823	1.43845144010031	0.124113950944663	0.574683584478377	1.4643087029431	1.44074342761403	1.27927826297765	1.20019313609124	0.368742700365251	1.00778124479648	1.93744946960912	1.27868169049948	1.65413627229697	0.995640035320361	1.28829040552553	1.51056216621687	1.51497315700987	0.0442294429215257	1.17710790577971	1.67518078919395	1.82612416130525	0.253567016253281	0.0102516948135487	1.73413950050495	0.308187348977439	1.75403310450784	0.173423948798654	-1.26377651927796	-0.387350514967941	-1.36694130720605	0.163188734428892	0.356381227965852	0.715232183497015	0.538211532304194	-0.015947333943222	-1.54487181239325	0.768913689707056	-1.09260257078752	0.526715024356321	-0.278109471103634	0.145446420601496	-2.05257982882121	-1.8942762612588	0.617634883717241	-0.638010561210302	-1.59785141640009	0.206021735212659	-2.15054707677919	-0.781891200967847	0.873581696306983	0.491210365443775	0.45428410604788	0.402848505603214	-1.47528306014522	0.391231397897006	0.647508402095322	0.492010289716635	0.884718412844199	-0.551492374610017	0.38286119592899	0.681500314568088	0.6421149495495	-1.27212314112405	0.191444629298557	0.125006247080083	0.257292670449569	-1.63249649283094	-2.12673845149831	0.530276449826284	-1.42621405822214	0.333316893788291	-1.41398379954545	-1.86446269708125	-0.687941293822924	-1.30158839646395	-0.26348554210693	0.0851651164717355	0.3148405434295	0.355252237773718	-0.342281892033918	-2.06853258866175	0.781483972510565	-1.12939520701157	0.343193805432149	-0.484280897125886	0.198522985363188	-1.70110697365862	-1.69367956789962	0.359100714822701	-0.847350582182591	-1.75551695019211	-0.17835648506007	-1.61775846463836	-0.702232969190335	0.482316712769015	0.419676071995655	0.378787584735962	-0.168957026171506	-0.669682298888568	0.244806227211596	0.262360610366301	0.567568516999451	-0.781047684206173	0.0357304548896333	0.52507844349671	0.47939991628873	-1.6760615372014	0.452197640651165	0.137073372047445	0.357527282823318	-1.66144154799528	-1.22805042066565	0.605284546863772	-1.278434857606	0.829519900108331	-0.899819951180836
Isobutyric acid	0.879400917117755	-0.234055837053406	0.15598954376859	0.985509610370806	1.36305421036526	1.06375846053776	1.30497524549751	0.101424789006267	0.474481785820075	0.51436046158408	-0.890601161912019	0.94868584117183	0.505819276198394	1.53911630138642	-0.530426502877533	-1.13981759809425	0.532318092284423	-1.11024275524465	-0.173421676307403	0.280336658821707	-1.4368818395424	-0.526996814828947	-0.4416288705068	-0.322910090353565	-0.704357643072274	-0.536993896608345	-0.771769752077001	-2.36138727826311	-2.88960473123281	0.320277584660385	-0.52949047941688	-1.27928065247294	-1.09868012244823	-0.0773280042222312	-0.829160255116555	0.471069895047941	-0.372631935056095	-1.49510293900509	0.648229191199638	0.415685031754214	0.676955889992499	-0.217280747980078	-0.079154498642136	-2.43943161034509	-2.38542851518604	1.60948270261584	-0.829160255116555	0.177095679842797	1.37235347365753	2.10075230349437	0.428239789255351	-0.579431318569986	-0.848654118692653	0.324422932303946	0.0250226798431116	-0.0964926632509665	1.37977254969856	0.692702455447433	1.03716802550882	0.045520229952826	-0.342854547837389	1.4171953780577	-1.30618521566112	0.873737513628997	-0.0721600445451788	-1.28323721806114	0.77084697824503	-0.812326689343808	1.00802015879661	-0.0245580845297091	0.115578711854882	0.653137317299692	-1.18380299314357	-0.766258431289717	0.496104999449457	0.672612874085501	0.0524436815248795	-0.204939729198549	0.468198458651089	0.315414541439716	1.77788886903357	-0.195728893900419	-1.01833056995337	1.44025298173371	0.966052131612831	1.60651605667294	0.985962449026352	-1.31777495779355	-0.683546009849736	-0.312535953172176	1.48601278092944	-1.31850055491818	-0.448542522121936	1.4926767996516	2.17481483403116	0.722042725519038	-0.648501619397878	-2.00818601999031	-0.593359255894349	-0.582782763004785	-1.28771671550644	1.09802993333331	0.939638529017203	1.46945165751834	0.296637015194209	-0.476976941326479	0.924522182930195	-0.895786474177024	0.989064989149579	0.00495345561283637	-0.104612292585823	0.907327002358747	-0.230214519710684	0.376183740395855	-0.969906414234211	-0.238645444697041	0.11592154099982	-0.865685633800833	0.555509667146319	-0.218182550701052	0.594148554380694	-1.5070495839981	0.290202961330132	-0.137649136986948	1.0524372117194	-0.89750158068722	-1.30480403834924	1.08482380093082	0.353153956402698	1.08893264479346	0.33994395287019	-1.28819424481339	-0.0457532047899843	-1.52977923206674
Indoleacetic acid	-0.277001169021827	0.545176555138078	0.782137862872895	0.237333617888095	0.2125727059754	-4.32413557845896	-3.82090154846287	0.102880205868353	0.372439366976186	-0.432646743182842	-0.277001169021827	-4.49109902361829	0.588208980002926	0.667947840684088	0.189538856605441	-0.830468413932537	0.118034427254678	0.409907663463488	0.268723390405315	-4.84622573980565	0.0795239337057707	-0.0102566347848882	0.31738658664348	0.0217390017100099	-0.158094500297062	-0.633961499138335	0.28268067893027	-0.724721188767476	-0.0602739645238538	-0.0827288230202278	-0.189450382465477	0.00159875943101592	0.462367754765436	-0.0649584997504994	-0.335575329555279	0.0780560579587962	0.171114919164786	-5.4315173891952	-0.187167372499419	-0.289238556279289	0.507025019515774	-0.722466149862966	0.613950747164411	-2.25556987281723	0.0261528616175411	0.229932047795284	0.241366579842172	0.174312912995732	0.101599532475392	0.194858189981536	-0.0433616106895987	-0.231840027877751	-0.0436127825900424	0.00666296468010334	-0.097476945102774	0.223146890315864	0.227407630628583	0.298549001947154	0.325515174974428	0.258815625120001	-0.0585086282815738	0.156095105671067	0.545705128119364	0.128137571416286	-0.0712002076364652	0.249470702530906	0.000243383403499747	0.257254515637311	0.058322251418565	-0.0235877866155629	0.0545014931677812	0.348861633094531	-0.112743698008893	0.237626989687899	0.160577762443155	0.115849677801827	0.0618981953890915	0.212123366469788	-0.0758729177514701	0.221553443074263	0.0684244718878465	0.412488580666426	0.402059649062753	0.612398372074509	0.320594972774682	0.737368166846665	0.404058494884386	0.889004285418124	0.511117889025837	-0.188838284342686	0.622629472403553	0.579283442937292	0.264556210557958	0.391049735658102	0.738049449590229	0.31077124264915	-0.969168431897689	0.124679935797471	0.331784271999551	-0.0915083527909755	0.245282752370187	0.225493768975388	0.653515766355384	0.307203625791048	0.594796400047707	-0.168023371899817	0.504391553259889	1.07028268656105	-0.534087825657088	0.44610280552244	0.753135489849901	0.213915500798167	0.632941236976201	0.225808803576874	-0.165439070845362	0.412838281799467	0.492900216649597	-0.284378336991045	0.555797804975725	0.280920580105103	0.509125338603466	0.158494778136651	0.216918313493682	0.472965034785148	0.0583035454021974	0.416139491791447	0.533913311541385	0.493373889080513	0.0325464878888	0.7727449984554	0.725736577432227	0.913238518261525	0.744944904257348	0.0741311566385292
Methylsuccinic acid	-0.197040828891897	0.359548251542542	0.893332698613954	0.408601314965519	0.773775035157183	0.600421616209484	0.0608586584109903	0.165418320611129	-0.225801647937695	0.200987977309574	2.2641575279419	0.589503253127458	1.00449622973461	0.711059395353475	0.598064288865257	0.850963027353866	1.68675876070747	0.720953152681295	0.586481138249495	1.28506831001626	1.26792109191942	0.939471883609261	1.45352215814664	0.769894847951072	0.43966816888825	1.44912201082837	0.916998306180031	0.437146123542528	1.54304072401963	1.3431495230323	-0.074150899618557	1.01467069867399	0.97287771011271	1.17389178152736	0.902535230161039	0.382954725115278	0.870326668598421	1.6050927703208	1.67920448769861	1.19076653916985	1.47897932359137	1.45669397775215	1.14606709616111	1.49409379054595	1.62591834237751	-1.7986881028631	-1.53547748824411	-0.331002923338725	-0.94198414455489	-0.29290438112513	-0.923389095656955	-2.21226719398393	-1.3721016220397	-1.79484614763093	-1.73666921838775	1.08068037515134	-1.10222340288825	-0.196223978752755	-1.09024051537511	-1.53729089698364	-1.15709905422142	-0.193424998487803	-1.09024757802383	-1.49667764350646	-0.901050126013366	-0.453060840308339	-1.27666846715169	-0.198030405455051	-1.21897234904887	-1.3768798191382	0.0238041621779921	-1.12913531516661	-1.2095129777166	-1.29639083266064	-0.106060361735607	-2.4058997554241	-1.54096245573778	-1.03403901967755	-0.375713713472536	-0.896344692253804	-1.30706936957089	-0.23142029282595	0.190638565202317	0.220806296164449	-0.0622884866849596	0.411667838295257	0.0740110934500399	-0.0887406269079193	0.158894889667522	0.129010482676634	-0.991924197007578	-1.51962025635542	0.083745949026834	-0.567212217181299	0.104866159257801	-0.486795353848995	-1.87737807492783	-0.988912155810941	-1.38198952132397	-0.78503058963716	1.50243987471334	-0.951385636382778	0.266741821441319	-0.401125522538071	-0.759057427370273	-0.779985702017145	0.193045600351693	-0.476424706288571	-0.527640302231423	-0.249072198358864	0.229661705174436	-0.759888557604813	0.154041761944075	-0.302261673378625	-0.328509186279409	0.809941525651714	-0.372244783679776	0.0938389936289032	0.976742251882792	-1.7825529950873	-0.420100607676829	-0.218703607225712	0.765112823464201	0.195234537278215	-0.362425836286762	0.383515831474195	0.724940618861203	0.94139376825861	0.58078370690494	0.978280613007135	0.598095760481554	0.887666076260553	0.714999763363044	0.909172995975465
Adipic acid	-0.312200945578024	0.800171755503232	-0.430403934443263	-0.215136318393098	-0.165839365027816	-0.0485420490780257	-0.275134471033002	0.00492687350906647	-0.247601154936069	0.00788944733254082	0.193134074440075	0.666982071518771	0.74619606887134	0.872657942923168	0.400202060121752	0.364252603879336	1.51695659246004	0.363916869796339	1.36212080419449	0.99972552337021	1.36658187863264	1.04295202478976	0.389288288090115	1.62840403941415	0.559729297167224	0.382706877413836	0.608854099360031	0.348015575752538	1.2107933523007	0.221957013455513	1.52007913023139	0.840292853397779	1.38301860650385	0.475587956951237	0.484216958636063	0.348594364774725	1.25303162978969	0.632378594116198	1.16298004921324	0.540206772186948	0.782395289318536	0.511047291459815	1.07738692787622	0.937497309933138	-0.820357875934696	-0.91663808771242	0.925337564654391	-0.869508366858041	-1.0472475561014	-0.755973514925647	-0.865704478616272	-1.40946865352677	-0.249300115043133	-0.526015703058758	-0.822930398646203	-0.866480032483	0.64982790664456	0.838685733123058	1.00957209714693	-1.25334985890499	-1.14509985957239	1.05729486426027	-0.506431113243966	0.951507871683241	-0.879302668903604	0.984047956816052	0.662577462041163	-0.563592597375309	1.30292080370058	-0.771222092183913	-0.521629533637172	-1.02358765208066	-0.612160684752228	0.750805424773157	-1.07418140459078	1.1368930164677	-0.408381594601791	0.963960403098175	-0.984058104843771	-0.558534552881528	-0.685131815490924	0.670563101550275	-1.10474766685615	0.344457015790077	-1.1264848275432	0.0203778615870688	-1.25632015850331	0.307107598086792	-0.904863104336596	-1.60902726631528	-0.0777386050396321	0.703102184066009	-0.610172742041411	-0.937873017112409	-1.74822151165204	-2.0686007776119	-2.24293212013565	-0.230539558653849	-0.11648576498813	0.227161264153006	-1.08374193699715	0.200377252330306	0.631521160493732	0.984760382744879	-2.63169371320397	-0.0401255793317669	0.754496761559517	-3.02294819189291	0.915677434150851	-1.05857432502915	0.904967692396296	0.398376428153137	0.264422545855198	1.08985178368631	-0.104811452966519	0.192349308560469	-0.136140845457915	0.702138844447996	-0.00463472254371729	0.901225873278536	-3.25814798573539	0.801749446574996	-0.0921117664562814	-0.303447032483314	-3.87799950473875	0.749535111332077	-0.388005129550936	0.443395284368751	-0.622481252568413	0.210892331844356	0.069273299612033	0.551137391082517	0.254120007565341	-0.0435802241611057
Salicyluric acid	-1.74807051086806	-1.26298395474715	0.348689150765697	-0.199769793535293	-0.819188395621931	-2.4115985839081	-0.757718306794893	-1.11053119948325	0.687044644395161	-0.153905796152604	1.29489010688716	-0.777511318069858	1.20557916911451	-0.992572246214507	0.728733057131408	-0.312961986612397	-0.364733036403156	-0.261435650718926	-0.497915424913666	-0.542888847854334	-0.83621710514014	0.710530162653288	-0.284811363146072	-0.912275133235576	0.375675692891608	0.424099330404382	0.953048599142884	-1.72417178624106	0.283056255336265	-0.618371145852245	-0.647321107127647	0.917833017600222	-0.657817968545671	-0.697604210413794	-1.18151221669793	-0.837067778648553	-0.418967259438169	-0.927263073483391	0.294547562798958	-2.0054813875129	0.0509556630244766	-0.821229257173736	1.80864278931157	0.0433909845855713	-0.805243822053982	-0.676808009253673	0.0556355755233058	1.15343736205535	1.01633148972528	0.147640390158393	-2.71865199490356	-0.121090678293053	0.0641002229724399	1.87672773891147	0.595553100942221	1.84185862300953	-0.468148662835348	2.14281543224393	-0.70496704098071	1.66165625184783	0.00354854586390942	-0.185540366991817	0.321942493400436	0.406219981716194	0.0440700866975991	-0.359003870849204	1.86476866451581	0.509867215478059	-1.03550141086041	1.35817076046382	1.46026809630428	1.75968283222999	-0.44030490480017	-0.144077812865369	0.0539735955924757	-0.00651198277266377	0.566468594841908	-0.234094119829256	0.218379446319777	-0.807452453768133	0.339743428370672	-0.258092447305297	-1.67014860646296	-0.589342430615581	-2.19846314274326	0.268719687866285	-0.71879280977873	1.63461877792596	0.0346788164504404	-0.45098381548274	-0.840634190367712	-0.613290198805477	0.754096872170586	0.638113997726079	-0.175860381998821	-1.27900593612853	0.744342330708517	-0.871671278104451	1.32445848034846	1.1454205365202	1.58395319473311	-0.57937774239516	1.28465605685522	0.99201241580571	1.26230817062018	-0.631918064370182	-0.0012069121992458	0.600650995779371	0.617972863655985	1.40243972360355	-0.904434218991014	1.68032175950314	0.277386430273144	-0.172700657041462	0.771156448465789	-0.0474589177626758	1.0507970622271	1.38675019791624	0.169000464751359	-0.768693127619736	0.0568526396013799	-0.946430516829293	-0.24074534353558	-0.605675668327789	-0.401622655102645	0.373268318267086	-1.12777448165269	-0.0755357940703675	-1.52154043372903	1.01243414650609	0.0132457693950958	2.12122001054015	0.49382228081363	-2.10158181722491
Suberic acid	0.581086156002193	1.22406630581747	0.34590451261925	-0.163252665234662	-0.308480117993976	0.00970310151855617	-0.35731543406875	0.774464189412567	1.81125826521484	0.450762061981576	1.56539196491673	0.686607929241728	-1.10630242491022	0.486522470314777	0.256975051011424	0.773505104878656	-0.179973317412434	1.50207068931876	-0.857352284503843	1.0681064603936	-1.36762556224173	0.0987600914072474	0.208786103058552	0.0359027606910502	0.262100194121937	1.74599915392814	0.495036855897634	-0.731322586053847	0.999611795323587	0.256307986425914	-0.578837006612231	-0.485346744390167	-2.6474368970502	0.429598850859734	1.40792090436845	0.876252431778204	0.311931062218262	-0.796687677435114	-1.28429994615461	-0.153509585168604	-1.77169122506598	0.966806395598651	0.557324746030145	-1.24880639481157	-0.964708348352632	0.282934666699653	0.229585983804544	-0.21490120945261	0.198528002270047	-0.418662139569212	-2.29073762367903	-1.3985911963292	0.694242342295086	1.36765353689748	-0.402133164286037	0.974755940965872	-1.91517264916761	-0.838307079896466	-0.807414844136523	0.1957455942206	-0.368808605783761	-0.27895541718742	0.819947115284234	-0.50389756270159	-0.286465836929668	-0.736531811390503	-0.543175962439213	0.446756405817329	-0.703844428276771	0.790212768350639	2.07409974137793	0.598474344078232	-1.11570991941033	-1.03446673107627	-0.379829975237029	-0.526753657839053	-0.545771973729963	-1.09506184244367	0.0615342080393827	0.751328756737791	0.387747435729278	0.911354022197112	-0.0337903823835008	-0.355815508845603	-0.568536503817475	-1.81664611188049	-0.427087818836411	0.562579259221015	-0.742257661752271	-0.19695174060483	0.831192084955701	0.573123142865089	-0.79715340355745	1.04787772953511	0.204434525141985	-1.89241020202413	-0.471607045724126	1.25470009596569	1.69481587757519	0.899856619756871	1.75241230601282	-2.32217609040827	-0.804128600567683	-3.62533579114483	0.9963899725715	-0.210197343288284	0.999962084419375	1.53853348453668	-1.36905233575005	0.477696753711494	0.471896634035916	-0.0460664855741318	0.988993535137901	-0.507645951808032	0.915542648830023	2.02413551739573	0.389402565096985	-1.12377849546104	-0.384273008713498	-0.300678135968627	0.538812967881687	-0.304376388471907	0.327121143604652	1.34560376778845	0.881267538397502	1.0049554364073	0.177885783753414	-0.907275951578733	-0.686984613570583	-0.806722664013134	-0.218351615505332	0.433156699575117	0.0553635227416727	-1.0339344563568
4-Hydroxycinnamic acid	-0.40056747886582	-0.0420631535512814	0.495436837498597	0.326413256429001	0.0645201410569444	-1.08128944760311	0.24516174252391	0.0547855845242704	0.714340919897445	0.493491180160222	0.989353775832541	0.289612005150484	0.92739544348781	0.0417831328029474	1.40478788129753	0.949597172240213	-0.718856190734836	0.659133267702611	1.18850410387704	1.1619584461238	0.586720232099286	1.25110046159488	0.556426123125722	0.958769002977145	1.14778846536837	1.07893996227766	1.29184753908673	0.355292140073272	1.45631567527719	0.670122360259357	0.300187979295032	1.03937537537888	1.15937400318681	0.653155523894883	-0.142669615056405	0.854684364324184	0.860271477523665	0.709989571031347	1.12078673434923	0.206874359792931	0.969368700199798	1.19810492186048	1.64140098994584	1.4585059918105	0.771022251006432	-0.482375420700252	-0.164096715386038	0.232976959654564	0.165441756327556	-0.200110183486372	-1.35369348044476	-0.263044856582103	-0.162791942887294	0.516293835834396	0.0506468998807613	0.535778987267019	-0.421610603092372	0.590890070101929	-0.527391259047198	0.469513756734568	0.00308573525758915	-0.301873715093171	-0.0853567253428074	-0.0489914760874245	-0.181314375022065	-0.345939646969429	0.531954097691661	-0.0236380161279702	0.0190547040861578	0.316758141655895	0.351157215838863	0.474347525570002	-0.389031124222421	-0.32133553899615	-0.169680072202478	-0.216815068603498	-0.042694152708252	-0.271717549619145	-0.137519316441652	-0.531955819317298	-0.0792450924746508	-0.0785360329959449	-0.608465662566828	-0.201447968126382	-0.873085739208858	0.0692185818685723	-0.318115540238171	0.720138310218431	0.0220315064981409	-0.507087743572814	-1.35474402517532	-0.280059119974505	0.0805523527037537	0.0392580237016972	-0.736079527755344	-0.892936868519655	0.0119184192616859	-0.229830219837711	0.234838017204193	-0.458104331645229	0.610786520908685	-2.57012633300054	0.586327047173749	-3.02793468010551	0.12645264854414	0.134433935575052	-0.0984570593801025	-0.436462366090117	-0.391977616241435	-1.58990001939975	-1.04964441522315	-0.112900262394776	-1.22465288663408	0.355817052723454	0.546902131388553	0.182321486137696	0.450294638500944	-3.40523526859417	-0.539804119518292	0.319493228868145	0.337648763164041	-4.25219730966359	-0.624812526306912	-0.477742566284995	0.100687546859454	0.21436006933679	0.0505245309801518	0.0651329137411727	-5.45651000374319	-0.268182218977897	-1.59716418554403	0.883337455165768	0.111057298183806	-0.0442666075684558
Pelargonic acid	-1.64257069584652	-0.633726234185119	0.766034040096816	0.286969968359253	0.224121120306283	-0.201062506360057	0.648349019470379	-0.118380588679353	-0.477468175910997	-0.144582686169639	1.84964693427826	0.628685587706944	-0.379934081309711	0.111701858766061	0.506649866027238	1.72166239882443	-4.45270948809689	0.421157470327308	-0.0526156375801342	1.72313371993365	0.88252338346014	-2.35443910823996	0.480673161209889	0.454348964821693	-0.262881091913978	1.07274624891891	2.15360649146584	-0.787955779330194	2.45389313771118	0.553374839227842	-0.625762011303699	1.77842805534625	0.352522482040258	-0.223741754396703	0.0252034316644793	-0.113526990692841	-1.22142593879087	0.227824324979455	1.65303579728802	0.933541592284551	0.347127210266996	0.570946797008128	1.07080161325944	-0.9477323045173	0.25298624663262	-0.23064726233519	-0.753013365488851	-1.44661719853321	-0.226496575076998	-0.725737858895602	-0.880346906954751	-1.02554119390174	-1.27495149078769	-0.709628214983628	-0.625468343820229	0.247447369806365	-0.578436343847117	-1.30188618758365	-1.61088920513098	-0.429452198325393	-0.504553953932115	-0.43089577869633	-0.69594510664059	-1.26214481934689	-0.669965113687063	-0.272750379275156	-0.610633354802664	-1.28582028002943	-0.339392009233432	-0.995678510357225	-0.199871579120111	0.679364877877347	-0.958596238548895	-0.610633354802664	-0.663304899581643	-0.842462075658893	-0.257988222544295	-0.700311619467578	-1.04684332048213	-1.01228252534466	-0.645882863708457	-0.591707156729771	-1.16210945197372	-0.776808666465972	-0.590042017529063	-0.366298473251839	-0.976546264009811	0.033845155909436	-0.498359629778282	0.649351164949195	0.882073329743425	0.0628072107216018	-0.964235771269883	0.42133560881207	0.465171202437036	-0.353833272459364	0.724655987496358	-0.130908784948204	0.289731980457968	1.62411959919892	1.02759426832999	1.06020205481945	-0.156864396814406	1.11221320157735	1.85561613693233	1.26704399084573	1.42226976562038	0.160848526553833	0.265185513168137	1.92423857857749	-0.0175810898330477	1.08495813421096	-1.41783481043211	-0.355499544586468	-0.100763540795089	0.0595072685772134	0.923934192047263	1.30936447745723	0.20371559192079	-0.610633354802664	0.995657382977938	0.745850079718487	1.03862573737687	-0.0495205159112745	-1.12716062951179	-0.0754053541977659	-0.427360264401744	1.07594998210316	0.334911122924666	0.991511935133266	0.360653837164548	2.28679100176501	-0.570593276755217	0.0474076618125714
Ortho-Hydroxyphenylacetic acid	0.585942494443907	0.0940007709046409	-0.0786545241477006	-0.497521680933597	-0.496687203938105	0.74035793842899	0.406086920228344	-0.747703765828661	0.141206719423993	-1.45166212609459	-0.599332125836836	0.0232751785341742	1.00727183698621	0.252589558093431	1.24998101085841	1.66156374002609	1.95743857565925	1.29924512764727	1.51702589372236	1.00198134074578	1.18441330301234	1.96809217934163	-0.212351062606802	1.39631816654527	0.349351575677173	1.15865400305921	2.08646847742006	-0.162319396253266	2.30124573048828	0.713572658532121	0.740360500657048	2.40302740880095	0.300717304516556	0.279783343916643	1.40557369540659	0.000847192653767237	-1.50402713353888	0.631551025701274	1.37304796939929	0.216234973068152	1.03124741913085	2.28367138816053	0.402101212688706	1.35843127617818	0.840285672264018	-0.0177603269855554	-0.60965958791545	-1.00744538188514	-0.883379038087087	-0.913894831565278	-0.502752115525738	-1.43567145876987	-1.5391891666918	-0.983473072332825	-1.24752128751022	-0.925883840230319	-0.189969604028446	0.585847078999732	-0.00969842724237957	-0.840786389005988	-0.41001849895892	-0.253061785124968	-0.694072245619787	-1.68227201543689	-0.879172575462534	-0.502752115525738	0.316508148386464	0.191477782694375	0.368293731504801	-1.36991541096061	-1.29133203227079	0.0920313308879291	-1.104142054968	0.478648088842928	-0.966240749811039	-0.638057343608862	0.583839759267475	-0.236932947930318	-1.60115080463373	0.462123471891684	-1.22530349403169	-2.07483469307546	-1.23540019662958	-0.200818594882245	-1.57673758940793	0.0304694575421614	-0.258408704486923	-1.91866522948381	-0.37186662654942	-0.437790123649554	0.088018622549517	-0.350789169189673	-0.444078828108568	-1.28783899776123	-0.917624246159009	-1.08385851211546	-1.02963028861211	-1.89764009361783	-1.4562724204655	-0.487242286080093	-0.70474350880241	0.901878869816507	0.122172393830536	1.68823533285044	-0.687997211970982	-0.420471913688809	-0.0681356661383264	0.216182071980058	-0.220106670905984	0.692505858129674	-0.836400448478301	0.977993671317107	0.773313394209443	1.26006752728383	-0.589056933863303	-0.0210243332805533	0.604311349238384	1.58174567360854	0.964745782173529	-0.303251052542347	1.04607212993624	0.263517544127235	0.196100719257854	0.478794976790896	-1.15856620061738	-1.65303791331075	0.543671146925838	1.3110938470119	0.357566031115389	0.562164269855721	-0.142240685414054	0.0236359884705429	-0.0879212690782093	-0.491771603153978
L-Kynurenine	-0.73503676071005	0.262564193258269	0.00128905652366386	-0.271264155097569	0.0558269633352084	-0.437516941094585	0.0463574412800982	-1.03663818992654	-0.536626820701303	0.130404024456384	1.40533281350938	3.02607505989706	0.467241650474531	1.19511543664869	1.36915491336107	0.69099594262592	2.12399920936002	1.33033360254832	0.428949559518257	1.48694369770633	1.59493276773632	0.769053826237121	0.5639792980722	1.39030884642817	0.287474946726812	0.0755713546282956	1.04966889006951	0.469454626340998	3.00686796827004	0.257350685165829	1.47181512366655	2.46667154642561	-0.31417174543048	0.435396731545038	0.956033867254658	-0.521834834111387	-2.84171604776599	0.498348972844614	1.11061287119752	0.151708346955999	1.54061512616429	0.80559770427991	1.60281592170835	1.7038511319296	-0.424174847853426	-1.18640955318839	-0.767120955928584	-0.245938570814965	-0.648495904432156	-0.440812935234188	-1.48040926876553	-1.12917893545069	-1.87183689938243	-0.417061403047407	-1.21180732717585	-0.332760279919106	1.7604913557076	0.401426366075774	-0.02830521416958	-0.512742267918718	-0.536626820701303	0.0371753905712716	0.739419721623695	-0.482706462947471	-0.536626820701303	-0.258564792833066	0.0780298237014725	0.638112429321118	-0.194224924302844	-0.398681681233647	-0.133618466364635	-0.503701713768612	0.164762504177986	1.12368031732134	-1.04638093453377	0.267890145283712	0.158305312268355	-0.426338448539877	-0.511532704338859	0.527123132800188	-0.696513848922789	-2.16821417991041	-1.26729574836958	-0.536626820701303	-1.89152044715724	0.652179121399438	-0.0360824958547334	-0.784128749777804	-1.10405133048667	-0.594855377060746	-0.882066216878319	-1.20685168517471	-0.531761918134182	-0.87773793683656	-0.252850305996909	-1.78561178237133	-0.536626820701303	-1.9245561404787	-0.969788198703645	-0.708076022334226	-0.26272152436073	1.64000943026523	0.408160732660273	0.367115987856566	-0.121603921692689	-0.252083401462685	-0.19037143740934	1.1456293651773	0.135026378088611	0.465599980182839	-0.196310577806719	0.109474848496075	0.262373560687541	-0.228662116603512	-0.478686237167755	-0.507299009518596	-0.561497987635981	1.36425357298718	-0.791439441816535	-0.0800475991691568	0.284156872284059	-0.188441630499987	-0.214011830531514	0.581840701512934	-0.952009891603233	-1.79368774681992	-0.645598092489356	-0.0953520332099775	-1.58898852342001	0.968522974564408	0.19273806946769	0.411615113028747	-0.11543740133191	-0.673497266876967
5-Hydroxy-L-tryptophan	-1.37061626653537	0.719177301674141	0.448066204021176	0.364927754908675	0.193597300486213	0.261933341089189	-0.603545401601684	-0.968045660023336	0.652190217627548	0.0587994828772779	0.590419316819258	1.47658025747263	1.73197779793189	0.640266968293853	0.905058486194961	0.920241556845191	1.95018678003494	0.865833832128524	0.770689502224974	-0.150539057604825	1.24648564388191	1.05481604965533	1.56744142440682	1.22324790543762	0.255260764473226	-0.179661375892397	0.912764651090351	0.141869709761972	2.4639852346296	0.676789087321237	0.948819108365496	1.04099653018893	0.1139815946373	-0.221067479332994	1.78876165716482	0.188804142999275	-0.672308383213973	0.451649623508323	1.78836351721165	0.127361337728108	2.0983407726126	1.16066211895975	-0.162414164370441	-0.0743316652657972	1.61108898644006	-1.08939591322524	-0.0837085788202485	-0.579610437416051	-0.343596693950697	-0.334252296481669	-0.562296022698327	-0.894117570194895	-1.51710690527661	-0.411786364533518	-0.64476838251845	-0.359169502823754	0.556742572179967	0.550366317026013	0.128909560952035	-0.310593823149428	-0.198931906116666	0.465942125726844	-0.258484094469625	-0.482522557192707	-0.326654966369964	0.00537950716903052	0.0906977511042079	0.62596950412471	0.136589886315548	-0.703352606825846	-0.749411595134683	-0.283808187891965	-0.534677590869366	1.06612678410455	-0.444133788422666	-0.166162756157494	0.0628397111566074	-0.175092631374895	-0.900549806884011	0.358691657267891	-0.613313104037825	-0.595120681029983	0.0137956131769481	0.537734626555317	-0.204722310625347	1.55637566455033	0.912255769454517	-0.333826852258135	0.290782637989269	0.0368280263725165	-1.93296968192492	-0.16204863397286	-0.915963638754271	-0.519887179426004	-1.05479962382758	-0.953777482532788	-1.22228579762256	-2.01593137564704	-0.89584913349089	-1.08028903190442	-0.650435968520056	-0.158758995482211	1.10761674326425	-1.14614350788303	-0.564066914426457	0.181580498195495	0.554572621079139	-0.739475882450343	-0.697424708813868	-5.06452951546578	-0.153806141318894	-0.139884365175169	0.249706999624445	-0.0803681717084605	-0.493278276301136	-0.298001662707513	0.00494811905403108	0.847229919380492	0.0458384880708898	0.0532755624687685	0.427604075023236	-0.982645628923532	-0.111856130725464	1.09637167725604	-1.08543251079037	-3.39845405808816	-0.853112745638646	0.559028150441878	-1.00938489954573	1.75098630435416	-0.354499267581477	-0.542871989718647	-0.818437244425279	0.914144710840487
Norvaline	0.458074627835883	0.348340359860545	0.766877855008556	0.444892599337815	-0.858843822365873	-0.182584246474732	-0.673254283977449	0.538072249179645	-0.304344661043881	-0.828509227347155	-1.76052289876435	-2.04601564672089	0.0207964556878763	0.614582580693889	0.209481434786417	-0.0765110290064524	-0.117326434284984	-2.96712115937332	-0.336301947666694	-2.92784593394271	-3.81753523321464	0.167198693690175	-0.342105951152038	-0.117326434284984	0.142733408934437	0.453081942132531	-0.410250927248927	-4.5456466312051	-4.14684129787861	0.151791686690629	0.330638633041861	-0.466673139556703	0.155488856703628	0.649747250908726	0.431458288115285	0.694179316133085	0.0245845124184333	-0.65336021904865	-0.0708827970659462	-0.380975917282744	0.0175113287532424	-1.1867097728333	-5.14605097681501	-0.594331984515075	-0.430767918099742	0.488343615592628	0.589963132674573	0.928389586275703	0.887438255285358	0.217067624848471	0.457684260092881	0.422613684801021	0.878310223397567	0.431901570684189	0.574762673092711	-0.289831942706813	0.116478660089233	0.177129579948282	0.512442565120325	0.631196083180628	0.229368911326463	0.395249626712772	0.186248653914031	0.53744760562007	0.128852972241432	-0.0840953658938376	-0.0207596388655411	0.42363264801333	0.164400152964457	0.466547592367001	0.873943559358591	0.179477945105664	0.0334735392201507	0.108800496340717	0.122851504910057	0.424643982207577	0.148829295171161	0.114273526479588	0.710439671199511	0.671630681216188	1.0773282471345	0.577986276860833	-0.159270142043972	0.326417773506098	0.339367135403809	0.380779397125519	-0.236624548970572	-0.508701115265195	0.15759321529213	-0.208840259302597	0.511531312301774	0.403183782893957	0.878577411130762	0.821885408855056	0.267736550166706	0.262431867629485	0.517472786381556	0.765925217241312	0.231728909070063	0.695691426353821	-0.34059121991401	0.109448772568839	0.196285777703528	0.563154935929895	0.531923522901874	0.39803623027488	0.155080859206713	0.413098036601565	0.782133427393417	0.33798387099258	0.0442350303732687	0.0358020099967855	0.406069637617205	-0.00506884071181602	0.393859104824182	0.647565820369148	0.222364368150172	0.0948455636895129	0.136106873735889	0.278650685014808	0.113473473383845	0.276265258657256	0.673515847675405	0.601524533447702	0.856380419327953	0.604490805645241	0.0635592125221942	0.477644914192352	0.438599306259067	0.577735246158823	-0.057961282256499	-0.164884824776659	0.333954366983935	-1.36752091643295
Homocysteine	0.692554203166655	0.978860330532422	0.850679572749198	0.866092025048899	1.05182611879627	0.811312890940193	1.23339824225972	0.252937877677451	0.763174606464169	-0.162782766580901	0.220437468348509	1.81601158732748	1.4561473749089	0.180798567774585	0.282519359094045	-0.131253824185143	0.695868739875756	-1.17368371181671	1.07444669732976	0.912704623175129	1.47380289437096	0.293551248474837	0.350367777007651	-0.511629631446811	0.509548807598122	-0.650792067730357	-0.126563807757529	-0.608354762690223	1.529439036654	-3.60369876046637	0.247504930490337	1.82038982927126	-0.11334859058864	0.838098423469306	-0.30656051104686	1.03294355212914	-0.570128561144762	1.1756273685745	0.350296345830641	0.747043996209818	1.5164522533968	-0.00263080521988939	1.90246034815132	0.82870900297592	1.02870542039696	-0.259858013469224	0.14517491699776	-0.109206935245638	0.0847026099438158	0.064499737978795	-0.270068697931045	-0.0256904519242902	-1.04238669737464	-0.18686976183463	-1.21469985985282	-1.80694512745393	0.368677443022333	0.49758401518875	-1.60665954909716	-1.68582480897536	-1.66656620272725	-1.42644831699564	-1.85313041811058	-0.034044590983847	-1.24463328369713	0.186718658220865	-0.356943207653143	-0.869683563722844	-1.49058860997358	-0.792854109608662	-1.97500888108315	-1.9280094314347	-1.26308249507798	0.516261590759932	-1.76287603982072	-0.760698865081093	0.507326922864075	-1.15390178696563	-0.378801671848273	-1.56545661599524	0.00260416344617849	-2.01991068680097	0.0187764005697542	-1.26739850814278	-0.252490207339827	0.879188464301428	-1.13256932867776	1.108796249494	-1.47827196664666	0.532719661371698	0.211945622108281	0.554182069204965	0.267453802987703	0.576824599918777	0.675958531106466	0.128305044859446	0.566573158759275	-0.757156207991573	0.161191112576249	-0.319705219208505	-1.38731869550438	0.839227103703417	1.01736667900209	-0.774053061682735	-0.764516392755247	-0.53588046329355	-0.760388589972011	-0.585862254285106	0.754650301862652	-0.16769711020897	1.00991638314457	0.372321502209952	-0.295522449609031	-0.200331138960095	0.0719175957166166	-1.02424408824109	-0.653566881200838	1.72696716071658	-0.420095582820061	0.476166811914935	1.32691640457495	-0.330620111038159	0.676039117076192	-0.392194530923399	0.935198519568578	-1.08517761031343	0.830002225600489	-0.0483188374678747	0.460217500763024	1.54356617221505	0.257306531724053	1.99382605015599	0.152600596362271	1.06127276523373
8,11,14-Eicosatrienoic acid	-0.263486842476033	1.21066519856893	0.577084190026609	0.0869210831556446	0.317042695450429	0.354931780139236	0.465275087539472	0.361602610485503	0.786539904235261	0.2970249009141	1.03824629696864	1.52300273989286	0.731041494389675	0.751339436720687	0.660996902475176	0.619244869593555	1.14462827960691	0.551763863675248	0.25200593489129	1.02956587011841	0.803017348210214	0.802012322501755	0.578411423070649	0.699333242298905	0.258097578338798	0.144530044384627	0.866186145155575	0.430478470824456	2.26784287078578	0.688234646299323	0.672574379949438	1.10156921055241	1.57478366606634	0.416867560308403	0.590688034233326	0.549349157302556	0.275578427544603	0.837221161160187	1.24213779483418	0.255348244178279	0.809256318619446	0.809226928499477	0.940158339704856	1.02975684478016	0.562785635688939	-0.889753424393198	0.807110235645571	-0.013808669670368	-0.526971663150215	-0.216260470945662	-0.584429601794674	-0.416124936012702	-0.233550235900888	0.404226354161482	-0.394658039127015	0.154663924262748	0.701152696973872	0.196148589688309	0.0325110608273638	-0.156417846765809	-0.127417614539692	0.296112509308233	-0.122615774601031	-0.52020432040563	-0.13180721641285	0.129744741420465	0.326218706935923	0.178236545489209	0.0742722557138793	-0.413466820558627	-0.474915984504529	0.263140982028888	0.1106038921792	1.551783623358	0.154502329346223	0.187487877741166	0.0766548365264143	1.15230805112019	-0.305207293870153	0.00752937748722115	0.153866964625804	-0.228229019552762	0.0306927163989378	0.470242817867352	-0.156417846765809	0.298521185946259	0.334289545439324	0.308840245414424	0.0649869017236146	-0.454679110438508	-3.44668746649173	0.606820525057196	-0.330943645920835	-0.794043367764241	-1.17072436007541	-1.57422532638898	-0.905016654029862	-0.581205092266194	0.0911449402404566	-1.96817043059266	-0.321307993124423	0.455767510624457	0.0886069957850618	-3.61502721959685	-2.88277866072172	-1.36034803197884	-0.101585050362272	-0.343206950479694	-4.69134947675636	-1.62624815640024	-0.494677131119817	-0.0909418118132184	-1.02198102287547	-1.41610827162621	-0.322474071214319	-0.685228374328569	-0.215315542612423	1.33572918888105	-0.27179865142774	-0.0915934205254199	-0.227103143775775	1.38757837633504	-2.72955022446348	-0.286089433815718	0.0823632223063658	-1.31325202265881	-1.66477660705445	0.17609639771794	-1.65001318701509	0.175586230669092	-0.196955867771759	-0.263956807349696	5.43282339005733e-06	0.455189484073998
Docosahexaenoic acid	-0.406368782155122	-0.824796976602564	-0.134821458353023	0.699366062768008	0.182416267194476	1.02364063205217	0.793013895766855	-1.20686679133493	0.93437513535101	0.807581836603783	-0.301076261811455	1.49343505235417	0.661777631223316	0.252486675576238	1.120275704611	1.06786365157181	1.45301884920115	1.47112053934821	0.655756717675661	0.620186417457539	-1.33386075985247	0.499429204204868	1.07640201577135	0.638321549438224	0.508165384297119	0.791537621396734	-0.965318888249021	0.358531240308755	1.07543931200095	0.432838741172597	-0.910371258301205	0.0663553370032066	0.609979801296917	-0.423390545402128	1.53209751983483	-0.69487743813252	0.583008445826517	1.23016961363185	0.0212597556555312	0.922879819060403	-0.0731870625796475	1.42547077617668	0.81888164977814	0.667732001305339	1.60521568859984	-1.17878445751648	-2.14393876002218	-1.35632844618408	-0.159585767720924	-0.679643809318769	-0.0892028128694535	-0.247102091574167	-2.22402795774659	-0.0172240480428252	-0.217791024885953	-1.31829895026621	0.218128340907782	-0.454882761477584	-0.905176858502519	-0.283105642286689	-0.496287641359775	-0.187435961075673	0.119785168472692	-0.815142198734065	-0.99061580992546	-3.85927942383139	-0.976326922489203	-0.0543785979731476	-0.68370846293887	-0.861963753241084	-0.455543171877704	-2.66737840422323	-0.68971700713038	-0.434250756643653	-0.891303678014244	-2.52835218445736	-1.564272425874	-0.679072190215863	-1.89589946100434	0.119745102443952	-2.13233607908539	-0.138469214013581	0.161208864621645	-1.48832310552588	-0.0831088686522523	-1.35767545031962	0.349983897322027	-0.293693147491509	-0.646686653706865	0.698731028920923	0.171253426164132	-1.45543181451092	-0.655972404513293	0.791760722188629	0.403594951179139	-0.372209566940368	0.0253636756896982	-1.01323341254923	0.559151338109625	0.113516801297222	-0.470201777654651	0.797326985818761	0.52291800858157	0.666637290197601	0.778817869473523	0.036201748255244	-0.560609314665077	0.880352028392273	1.09146711744737	0.490871727862444	0.0416732738383796	0.368335198413	0.536889638157063	0.154354635859226	0.286253410281479	0.957503809606696	-1.80706117636049	1.09919664717556	-0.0218637929866948	0.736440915490771	1.0205577634496	1.76278084726908	0.0655098358670407	1.76731410503792	-0.61240618575647	1.33311254267156	0.505878379880009	0.333792698613216	0.637190867014296	0.666243051731382	1.4025317647401	-0.16330891883317	0.639719042958699	1.14142347884684
Succinic acid	0.349827567400118	0.889894154679883	-0.938178313094204	-1.42931954954524	0.151776650528594	-0.21634560633376	0.357219576292367	0.70911915768706	0.80660397817708	0.272069998298417	0.766740375715922	0.225370149104391	0.340151319723536	0.741521440845604	0.650596157189369	0.0820494143129462	0.0114873049031046	0.93231729062106	0.376902914356742	-0.0808374699784154	0.743380732684522	0.354625480955967	0.583988415498898	-0.0867915509487364	0.590636388524034	0.636584270763468	0.231804417402379	0.04599762274456	0.859406129730556	0.470344016059918	-0.437943220893999	0.476026848748903	0.164899350945749	0.799534196335779	0.991002820260258	0.0852777520502422	0.382874313304582	1.15315895749782	0.380305825773207	-0.0459927358692737	0.647216643404341	0.414856952900145	-1.0199151676013	1.05196111979278	0.288772835550093	-0.350989142422724	0.939727779769166	-0.455933761149916	-1.15021571930946	0.405109014745906	-0.243566780165284	0.453973903578371	0.646842764142542	0.978568690616569	0.0704007016227167	0.636445040240311	-0.489753357284569	0.0831282996341331	-0.797928239968691	0.0600215098908978	0.27123549688841	-0.765532874453631	1.04142005085898	-0.0835976187145466	0.165763190684095	0.346547700756479	-0.660830859128988	0.978523661264812	-0.475681933256404	0.269138312104987	0.697706094983981	0.164376523879679	0.122853299950831	-0.121085502313776	0.622574022064772	-0.559194144665433	-1.1195428832955	-0.0633210431267058	0.686487979682206	0.984614309691764	-0.321199256662572	0.195128820168302	0.722829635760338	0.0353653497251691	-0.12335175039068	0.168430206254008	-0.0662257610050564	0.0218805575716876	0.857856517811251	-0.537129411109128	-2.20774828617504	0.762586570373965	-0.0289989575606562	-0.223333664645024	0.612372030276877	0.0297498238037361	0.101194636558725	0.486153024276658	0.779177092752124	0.148069750793169	0.510163779571908	-2.42593317735084	-0.633343031700139	0.0787596383863885	0.0589727543059825	0.358446916119938	0.241170724285497	1.03625219510522	-0.805447134652285	-0.575123975728907	0.0367532233042061	-2.97614295327148	0.979060454221344	-0.0668126022108119	0.0769028603729807	0.117140091867566	-0.0976335586695152	0.202428667419679	0.756802930261677	-0.642498474766576	-3.41576233435768	-3.7124013028509	0.912734272474126	0.951009877266133	-4.77759012646437	-0.149204308397959	0.438712152273045	-0.0304553884193722	-0.324554015388746	-0.389164488074704	-0.541816404718951	-4.85018446159906	0.150722591540477	0.0459642669728327
Oxalic acid	0.36752492740568	0.984987386537382	0.994165464435218	0.418889295933265	0.297757974047866	-0.174014171784668	-1.5532132370217	1.05216025976427	0.70657525954028	0.167854130934527	1.3245947314594	0.369245931082494	0.311499528416285	0.640521169722766	0.526412688384632	0.866338217152609	0.0965896056393934	0.384197125695835	0.291152812100802	-0.112965992488238	-1.09746990049025	0.105811666217892	0.334812333188104	-0.191684334088947	-0.122854482028226	0.872646569525253	1.10503996593597	0.00204413411972426	0.309675880767555	0.819813650887098	-0.00485595274240354	0.235961594243272	0.449122609695653	-0.342367587220602	0.0259770915134015	0.153774564887001	0.198887469261945	0.0490748039961263	0.936593941174708	0.439765915406661	0.680461754633981	0.353977486229264	1.26536156378204	0.299269282593487	-0.120126420246086	0.0694711984842566	0.696976190446834	0.47824461475201	0.590651093313968	-0.38503573083414	-3.42754100196782	-0.362661253268919	0.971522292602076	0.397759685778296	0.11026245411901	0.886037149867633	-2.93509137328193	0.151844215412311	-0.595855785021045	0.231363105623914	0.326754040099602	-0.166930058314447	0.394172876422701	-0.248220751102234	-0.0366605740250633	-0.127316396019232	-1.26971415666206	0.395295778840448	-0.361139466638143	-0.0657916870041028	0.525765615581688	1.0673944213236	-0.293438977114558	-2.66174894992766	0.703025091570505	-0.380692947373677	-0.109357371565463	-0.104855619949107	0.164934659789942	-0.370074620793227	0.0965080362771115	0.37823669028963	0.134940176007784	0.789841551956681	0.212483870441099	0.221719716391392	-0.409174950466056	0.636549577994783	0.58034710123857	0.22985330298516	0.0078410243716488	0.544953398864274	0.4587790063503	0.580699246352325	-0.851365811754477	-3.82631841147981	-1.40549329741153	0.867751534497406	0.317106963847734	0.325954025288564	0.858098162937365	-4.1959501359707	0.0709911569059507	-0.31131076177031	0.314083850726443	0.174334724677224	-0.591123513030871	0.641413381990784	-0.253446029887887	-0.253257853843661	0.284809404167203	-0.627341872826413	-0.0730166952575164	-0.504713359813891	0.200367053130444	0.314624852884878	0.967011891512062	-2.30843103669029	0.84893512477527	-0.167795479847568	0.358090398082953	-2.01996913113107	0.0412922710422211	0.238728167100897	-0.395835530804931	0.434362863105129	0.0434482586340069	0.75734131334252	0.00889052221651731	0.179803402508007	-5.00046972270656	0.747474527975197	0.0480143598389753	0.300998212618362
4-Hydroxybenzoic acid	-1.54096115733449	0.317883919526877	-0.108149660502428	-1.39805208531966	-0.965164086042658	-1.39202365912396	1.11183841206296	0.549662397054462	0.193005402290497	0.556552019186685	0.686457472340965	-1.09704042866012	-0.279122562218072	2.69001310097878	1.7458264264696	0.730645174481765	1.68068563122611	1.60461742833009	0.319143889908325	1.53582825013466	0.865399363393515	0.66337626403817	1.34012948916718	0.971980642974045	1.08912775063124	1.53712892483374	1.42502981111165	0.0692878476635695	1.89136362038717	0.88673127031652	0.454864422976593	1.74080066949239	0.619123739441116	0.771044375169478	1.05074963943444	0.620377092122652	0.0967035565134996	1.3014352864709	-0.431911498270522	-0.139984106214805	-0.122448303362408	0.788893911426478	1.6392119817276	0.36767582255723	-0.411416500241542	-0.964238111604805	0.328475191334171	-0.553300922676838	-0.765112695959282	-0.0438774926797458	-1.02529099455906	0.398851316968078	0.533213743448217	0.401259191606714	0.237371541255229	-0.279663651445946	-0.831032055719408	-1.52437768974963	2.93349096821164	0.349970713554721	-0.1301094748111	-0.240738251461843	0.74084352438196	-0.849109343064365	0.149948638791516	0.0438270890850072	-0.338627813009137	0.344605891609436	-0.331291217167477	0.3384691882898	1.12664434632346	0.0038890400944765	0.367244907462367	0.00692138341060714	-0.273328890297121	0.102852889568125	0.139279489503872	-0.250498629036491	-0.2214637143819	0.194409491039439	-0.337791735335803	-0.622062446160885	-0.113937902509291	-1.14679298110962	-1.86155198429197	-1.36617981848193	-1.17961249269384	0.235748061930269	-0.795897601542875	-0.676910367415824	-1.99062038003149	-0.0507829148009462	-1.26950565448805	-0.411296062437452	-0.0968723248154721	-2.18028276352814	-0.520683422656747	0.0488688111813136	0.0454559208754641	-0.00584921639583274	-0.256241210721081	-1.35172851755343	-2.30696938337839	2.65735318367083	0.44726660502331	0.0156307536405373	0.262850414599072	0.726885206478365	-0.588039764115601	-1.45850790812224	-0.189907615271083	-0.651166695449983	0.116278801260447	-1.82783695545235	0.0567502420714289	0.56171994260276	-0.133762017443372	0.252977217045455	-0.411650849460377	0.259598881914664	-0.298525560331316	-0.187010366433661	-0.44833946520155	-0.145740344609385	-0.666418322610672	-0.480589410681165	0.699687246879714	-1.20864215272423	-0.749702510209382	-1.83679403347448	-0.373924290183922	1.13396423268974	-2.84593104046577	-0.622805596138752
Pimelic acid	0.552398541820458	0.324775512621528	0.154731408602753	0.496392455034375	-1.08242714923745	1.16671886598328	0.933982408985434	0.340398535483834	-0.0934499792030564	0.576160374369936	-0.855325113139595	0.517202650216005	0.498452023985312	0.807908635882106	-0.054653785131553	0.0118018246711644	0.613304783246027	-0.807561633942754	0.0567570421919139	0.521743110788113	-1.73492548385187	0.366716340253879	-0.511894274882122	0.727366535554787	0.281822016592295	-0.314977640707319	-2.72067721190052	-1.26088991321925	-0.053964556552434	-0.00435048220644589	0.46851435188866	0.599969474248372	-1.05283854587921	-2.52671828925926	-1.04930198915394	0.213149794838235	0.468028577889125	0.0809058923764191	-0.672415112659763	-0.628607268196999	-3.32103316019034	-0.644977459140952	-0.302765243040417	-0.272719456288447	-0.0843575603948291	0.745591181174582	0.336422530778249	0.177675940451026	0.504077474973931	-1.01972852990412	1.07978921338609	0.800144539148741	0.350794046536696	-0.00955196603394378	0.514898201687935	-0.537895357242083	0.262758662554962	0.486587937366158	0.776571546142134	0.431477512264683	0.426524209501537	0.871011457676833	-0.408283766106511	0.504531685812644	0.876904122866823	-0.970222505721425	0.807468596064755	0.115677550632938	1.17560613140438	0.753767407984497	-0.0477413114854977	-0.324356931968875	-1.32490328163209	-0.178645295719646	0.582682730189307	0.916154822124311	0.830868390421368	-1.18846981846078	-1.1778384339633	-0.609100046962471	0.689700100285563	1.30149926484511	0.821264842786741	0.0748917421271637	0.552596055194327	-0.672763080949487	0.385418420439735	0.334468178980811	0.020422884174759	0.368028395829264	0.921393909579791	0.515600847956065	0.135234755708912	0.490238536134413	0.0645423786510168	1.16874376134742	0.753341646261001	0.37530487792768	0.148448383791047	0.140657623920788	-1.79560926685604	0.280655323103601	0.440325022902174	1.12287021832217	1.0269283769895	0.660657533503296	1.07571572080111	-2.25296200173296	1.00115650246099	-1.02422890887199	0.13864778131732	0.847912167627295	0.423718983779194	0.825099004505207	0.818933716991134	0.257561917796245	-0.017887210417704	-2.24103638296255	0.804473618750717	0.965794484300093	0.664100355722122	0.27063093425216	-3.19592941907512	-1.56136005897582	0.323298399798871	1.05581848462608	0.149432524327182	0.22774397426864	0.571105547986965	-1.10128243730083	0.328097927435456	-3.39197425902926	-3.66613812012273	0.119077523496048
Glyceric acid	0.29736188429609	-0.284182135611557	-0.315817495414339	-0.88918859480242	0.0991748811459903	0.829168604340714	1.2159605030866	0.174570170707516	0.292702592837585	-0.222603612821139	-0.884930616148498	0.488577462356301	0.0282052941673436	0.839401862405786	0.330978570603251	-0.353541858670745	-0.148258613293527	0.0228501199495886	-0.0238796854966811	-2.39087165635996	0.194422186523161	-0.087848989476603	-1.20756463442653	0.924601064461791	-0.076037864572736	-0.0168088460651343	-0.807851391013973	-0.256095926214622	0.690732495945531	-0.127612703693435	0.509807768788548	0.697322708920092	0.487843278448558	-0.0779368269580296	-0.688442224615987	0.42611851255952	0.779479025889173	0.0350173872686904	-0.32978497402605	-0.0508864469584569	-2.43758100729076	-0.274307757713509	0.179000536016982	-0.378506664571901	-0.193906232840209	1.0824532903476	0.0569622961676827	0.276416307508843	-0.0318230569839097	0.580119363542627	1.29149540292974	1.35742343736876	0.543478146325523	0.767338056849271	0.166405979452079	-0.441562355434755	0.397219545063464	0.196339432530075	0.918804606543546	0.704205727675326	0.107320874060235	0.53241565014512	0.203592657212209	0.417805766545912	-2.51152360324541	0.515920317621434	0.453540576289045	-0.248548321552927	1.4724599107275	0.62337927932758	0.304482303332529	-0.616008665602972	0.145728411628967	-0.116868427457869	0.455266909627582	1.0917687669146	0.974360298096854	0.796059789157914	0.304556099517035	-0.288422621904366	0.802510689390982	1.17449776133569	0.170170573637962	-0.528916562614915	0.286742823209483	-2.7624985807514	0.0853696993410987	0.102432328473978	0.11366384660274	-0.420532193200861	0.978890018454094	-0.867152667666012	0.0323964513745531	-0.229457990300254	0.636358112886997	0.991264797885007	1.46576808316078	0.177136749829304	0.438691539736796	-0.076037864572736	-0.991812790710578	0.354084070978203	0.17226267809963	1.29429130533518	0.862994294418555	-2.76517685914365	0.483913356777728	0.081502851134848	0.317642052855933	-1.25110615481523	-0.0954507323091466	-3.23798129135557	-1.33041172214538	1.13684488168441	0.0410764821465022	-0.554605388435737	-4.04033375031228	0.837066557926323	-0.318808798666349	0.382534773694556	0.267361533307341	0.845381166040694	0.225658846544377	-0.634600876781588	0.513834918609995	0.967127794889438	-0.00726070157880203	-0.256331841143736	0.336148321754954	-4.95666804214562	-0.642604792220693	0.619810236077484	-0.615519480545736	-0.113572818168212
Behenic acid	0.483536626730393	1.01787827992753	1.13326497561747	0.878294865868853	0.159612990597055	0.581243330190592	0.533744221738045	0.578738180782276	1.54551551756879	0.511644086820231	0.439403245793525	1.26106833133647	-0.0878425613027077	0.780042703783666	0.549961145196167	0.657597893173616	0.384058442029261	0.942792414552978	0.693526907779274	0.878844413738585	0.693963186093459	0.578318972376672	0.789848441113911	0.471850728894546	0.382053085169925	0.184269728595412	1.23650759834115	0.30312990589993	1.44527056678732	-0.159387578994082	0.417652032017697	0.63994135383971	0.63105159529762	0.285904997097636	1.17641462589649	0.314595240793056	-0.926472200042649	0.418078502462131	1.06128671804466	0.372449015794626	0.826047044694406	0.871763743340999	1.52434679300421	1.46420398285931	0.593423706914861	-0.527233761638808	0.0699926326102073	0.411961513126455	0.100883767368474	-0.455934444184089	-1.03041955802383	-1.41412315726203	-0.0878425613027077	0.980319379882657	-0.636183611841013	-0.456671051038901	0.203160651860341	-0.866009607217988	-0.383315727881824	-0.730644768633084	-0.38746288461839	-1.06415272776456	0.0909133608453967	0.00512001326077996	-0.348306440356874	-0.153225355243345	-0.59675656868824	0.230636719878724	-0.455503970361613	-0.61294207824781	-0.995444234323548	0.697770230815397	-0.350818456557803	0.0338883501888197	-1.27640586523471	-0.582689618191197	-0.790754271156782	-0.252856806351379	-0.585932033013021	0.395551242028771	-0.270392056268765	-1.45381796018958	-0.412747348579916	0.197063682819013	0.10316798521891	0.269048334256103	0.276471922536871	0.971110721533382	0.920729841706239	0.199070867555342	-1.11696301523661	0.0793082234256567	0.379231510623959	0.508577478045562	-0.279297276029658	-1.31254129356499	-3.20042701168966	-0.314925621867889	1.03276588806854	-0.493500965095683	-0.141454487592961	-0.108467942824184	-0.53748363224858	0.247274178747733	-0.612206702570575	-0.281183806737063	-1.4942144730321	0.271450874536503	0.488731958282076	-1.78627728271515	-0.179457710819218	-0.379324061733371	0.45969972741878	-0.0151325501432963	-0.0942610693918852	-1.79667695167975	0.61679681900051	0.843366952995405	-4.52230340528655	0.0432761085093461	-0.0741439886220036	-1.45985960110399	-0.49729582110933	0.785568613916337	-0.19507523683331	-5.56469714875092	-0.96606602602015	-0.0185824505442642	-0.298394791476529	0.230988158744151	-0.00814630580428968	1.26947508448004	1.14041429752979	0.853722664664438
Citramalic acid	1.46429182511753	0.0509987971719444	-0.518343154887501	0.199256576044951	-0.0190395116592219	-1.47413693945455	0.158836875629542	0.50971894171234	0.228094555085599	-0.0187476475288796	1.61288687727731	0.979421949886971	0.281275713594474	-0.353388088180156	-1.24032347250578	-0.612200832256326	-0.208922566834238	-0.0932830580338453	-1.17411406990393	-1.84071836156616	-1.9181053469029	0.31111770387482	-0.238125410319462	-1.23106189486105	-1.44150550440289	-1.07049038885924	-0.620189241689125	-1.22184500560884	0.6538985112983	-0.739363483193035	-0.930268648821787	-0.246719929201707	-1.46119230554026	-0.841575581087738	-0.850077355880208	-1.14122680932275	-1.1251312931609	-0.097180252428077	-0.850584914819187	-0.383959664360914	-0.886186775226853	-0.973464289624938	-0.643747576165584	0.359915094692743	-2.65707858471999	2.92516663007647	1.16662758954741	0.550871338353387	1.20622835086965	0.796834443078659	-1.89747012842906	0.232748946227676	1.56671309563029	0.847867406782723	0.690060890272099	1.76201304920841	0.349943359948224	0.82366630849526	0.085766060327914	-0.503201085312673	0.774738049673754	1.07120387258741	1.23978610417774	-0.332568277048799	-0.442232907226995	-1.64356977223253	1.88413816954194	1.80900729589292	0.367433436138466	0.222917557092513	1.06622035819752	0.744620934686294	0.200087866097652	1.22448783674465	1.08091738094215	0.339264802149041	0.707481890216793	0.442379605920783	0.607968567597758	0.898679837992976	0.458085650229407	-0.283931118158466	0.869651826072492	-0.81585923252736	0.809019462631713	0.624452841842185	0.0395046142107475	0.299259268004999	0.815799440273507	-1.95215713615074	2.4267906161828	0.751587008786954	0.103753953412104	0.555723434411111	0.433875497225684	-2.42203838662066	-0.054877983730754	0.878589419846643	0.361641642342967	0.552270498002707	1.09696245186825	-0.00342777682161352	0.620147233809272	0.632956744277824	-0.845642496470416	0.565303111129328	0.663301295135148	1.1086880140772	0.47660833515253	-0.641996625098112	-1.58116292140888	1.46433975215387	1.28344397314719	-0.631632422211528	-1.36218824433293	-0.334069518085286	-0.0478373609853604	0.156978877236551	0.100169729054926	-1.13047672956507	-0.805882414696805	-0.257740621157236	-0.248171413032855	-0.097180252428077	-1.0034699118033	-0.659608519527526	0.155663808857411	-1.92777040691905	0.026603156667499	-0.097180252428077	-0.953633882373104	0.169235077859294	0.382119232436054	-1.27880466640216
Phenyllactic acid	-0.950962263587643	0.101734691661936	0.295318308936788	-1.28182530369251	-0.526088276285029	-0.279139173381597	0.20820410636201	0.895532471920892	0.210801550953203	-0.462591930708198	-0.830102007071012	-0.410452470427426	-0.35658133358391	-0.443939074927644	0.533493155054996	-0.0366572790056358	0.111961138367478	3.67592795071941	-0.114715883865452	0.9778348014998	1.10346479379706	0.193070050854009	1.10469232861573	0.0314873028822701	0.931598028636625	1.66951628924771	1.10627819739466	0.848024164668109	1.0138908425624	-0.108508341105694	-0.390790419716267	1.845945381985	0.448680791561584	0.010258327705926	0.660243828563158	-0.0572707831987424	0.0892766846117042	1.53326268928409	-0.836325751699594	-0.510465314255785	-0.263229143720576	0.121790424083779	0.464591336977478	0.481747613788882	-0.571182439469557	-0.967337617987851	0.508625939351676	0.533793052126979	-1.43392351467176	-0.139056186120288	-0.180056728759212	0.399863569807802	1.42854783174617	0.646941761204013	-0.131474358845151	-1.61925510459816	-1.28793772988129	-0.0733896349245893	-0.612538318141029	-0.283867632431755	-0.838235663509208	-1.09030979937015	3.43870308076514	-1.11233424686817	-0.142187500039362	0.500380652409597	-0.880412665075687	0.856408092069626	-1.05058125062526	0.527906208879771	1.30654656473674	0.395584260586035	0.717643063845945	-0.569337406371855	-0.7692261052238	-1.40206756366803	0.864749468260408	-0.278717111668542	-0.881159622178056	0.241317299727567	-0.456534481596472	-1.08379537705108	0.228871835917773	-3.93584998566962	-1.95780164077191	-1.4531361515961	-1.57459083001911	-1.4476083939527	-0.742449437466447	-0.934694225640692	-1.18895682576314	0.345861475989951	0.606289377444595	-1.51936924938973	0.139297802862414	0.387416928035902	1.2360453381413	1.17859911223899	0.182829215338591	0.696081732098159	-0.440461584381488	-0.667638036583296	-0.442779424996709	-0.564335150830684	0.0509524172483016	-0.407144630011099	0.146001027894901	3.23420470168924	-0.0309595217085957	0.653565888877039	0.880728807839239	-0.285914309757287	0.862793782383007	-0.0417672915661969	0.442137803359043	0.889834016290423	0.501443728352404	0.975355479913621	-0.117228467859483	-0.99026261057757	0.552272669449645	0.215449238729201	-0.331786405070509	0.0882783741178334	-0.348891430038956	-0.185720279840709	0.990935487273728	-0.703303257412745	-0.55251614237453	-0.304249645629366	-0.963298832235664	-0.423498299509144	0.899237223385218	-1.14934669312216
Pipecolic acid	0.0549570065820529	-0.0800789078794252	0.0641374673012949	0.500361493468277	-0.13970553064879	-0.305443017031856	-0.512076631746736	-0.384810142373754	-1.65923563542889	-0.947700967062052	0.608022688746083	0.463324632421938	0.152315500779355	0.616935481748673	0.717200649690098	1.56253908069733	1.77130138274529	0.609119230172938	0.626723095325737	1.44233930878523	1.31150838380744	1.68657904857942	0.385777591749538	1.61484486233748	-1.87578926828746	0.788041236550264	-0.098137962213928	1.0631707052565	1.92534724847166	1.19593660357148	1.44076421857818	1.86346140815648	1.48396377049058	-2.19367154686376	1.44865263280205	1.19890731435662	0.463160884657216	1.44977353290944	1.80471247135417	1.24341409458744	0.396891048252962	1.05297373553096	0.627473038453851	-2.15589394248968	0.624286521638076	-1.4667911145616	-0.00958271759981739	-0.872413900880386	0.543137783663922	-0.577076227056903	-1.12862028357094	-0.375448550829973	-0.896430761076634	-1.93149112167109	-0.912288526713478	0.492385099474406	-0.175122648146018	0.144017303526901	0.533321538784321	0.103485966864754	0.405610098479155	0.719528226884812	-1.76135287508491	-1.04181569632703	-0.467245736591103	0.394225178539687	0.537237362530981	-0.02308627909025	0.282943704601542	-0.986275445525152	-2.28183025196795	-1.75045376797636	0.404228340401989	0.965548898407185	0.0663507263488952	0.447424843592134	0.539906025876256	0.306499996514033	-2.35352400550917	0.347655921389107	0.0695009813361235	-1.4104668466921	0.110779470689343	0.480397127731751	0.0303755880869239	-0.841503477156251	-0.111830412722473	-1.04553700709737	-1.49434261733082	-0.0650423564593239	-1.03313111042185	-0.237072714339024	-0.497509911164165	0.435843366561288	-0.631961657347157	-1.99325225039728	-0.733100737427613	-1.42592689245128	-0.962585363643144	-0.468066586129973	0.485230703220898	0.194325685367208	0.0822554254624924	0.473366805878132	0.0289708229499695	0.263973008397913	0.630733485776351	-1.57290156166778	-0.683917421067584	-0.174554052025609	0.315121930693096	0.565388884601207	-0.24748969958631	0.378339042561918	-0.636123251500304	-2.53891903308953	0.0806754656572115	0.89245756659613	0.0373887217123023	0.451473168910342	0.507204534728015	0.50564581479625	-2.8250697916696	0.429662617946591	0.265721005778783	0.11446331623706	0.0365578896514854	0.711168894241283	0.298976012784382	0.0808610651798464	0.309381781018538	-0.0273320956563269	0.0716695695030226	0.190696168755895