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	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
3-Methylindole	-0.151314813232127	0.158724844145108	0.75119309241958	-0.696794654654084	0.936638362076801	0.720042442907178	0.824090408140144	0.0854357697551082	0.536482401444142	1.33581999277291	0.648962821163916	0.146550492978352	0.344244935484766	0.860554463329885	-0.780392193571893	1.04020825263969	0.243507665282635	1.68716653831947	0.638259878685312	-0.452548867667767	0.335021289840811	-0.587626788567444	-1.2584707272629	0.344297765467108	0.987996101175299	3.59586612834767	0.260549557098636	-0.302146189400939	1.67881169162941	-0.245340846589557	-0.1323831980467	-0.74400998009764	-0.576431171087411	0.363191376465008	0.54024461988664	0.169119516108599	0.254329799800692	1.33356199612921	0.440379451896482	0.916401580728623	0.491753523165308	0.172373013079941	0.285868488396818	-1.57610983451536	-0.731567287227442	-0.598877821251972	-0.294372351715322	-0.517949135151701	-2.45671654794764	-0.2825021445733	-0.274430294386705	0.290595284744615	-1.23334157337528	-0.348432940839134	0.0148788950493053	-0.166470011257294	-0.774070737909871	-0.278747126445975	0.0255757114481376	-2.81847811212126	0.111986598270641	-1.02790380920732	1.39790511523079	0.105816097907006	-0.609199781533864	-0.394374732336781	-1.5910615874509	-1.01481102335877	-1.1185256425801	0.367042443220419	3.38486078863664	0.404310931233422	1.19483203383549	-0.696306262126914	-1.29809319170693	-1.70472632122036	-0.166671939608942	-0.253631848436565	-0.340126286795857	-1.3690675586844	-0.874267230101298	0.572091836046053	-0.663504462843891	0.407167247403212	0.0735091530918106	-0.845655637605083	0.607390878029636	-0.524252482432052	0.686093872018311
Oxoadipic acid	0.791186733149036	0.749287348685738	0.792999421266937	0.357193154871277	0.78483215889398	0.9854843048914	0.910215385853648	0.799250866529906	0.639735550608525	0.534346403854786	0.635258127547818	0.754963224082044	0.809061342079134	0.957306711014076	0.277174188744371	0.366135757874808	0.474278760769564	0.195330923135749	0.417963081165643	0.546173549862241	0.420192467357704	0.465753700349583	0.213003504689648	0.647999855556216	0.414372267699732	0.151205624223414	0.168716894236499	0.0172550844676705	0.44860911484033	0.454739066195172	0.570126642161897	0.651114476437828	0.300380641773291	0.382355657304596	0.1227940998246	0.446242306598546	0.0482914581073266	0.555622195748264	0.242872246755675	0.419537960199778	0.162083536254005	0.0878091133034647	0.262052710803103	0.10895724061872	0.301816382770758	0.0745817266915803	-0.258877192957499	-0.0132047904417736	-0.852954189628254	0.109032114256806	0.288387426456319	0.186060825483006	0.107372121239163	-0.294291568695885	-0.950500464512768	-1.15506280170392	-0.49681160564262	0.134892031215852	0.388161736475034	-1.33912652598193	-0.0956063420242286	0.0214167639923953	-1.57796641727942	0.173109094822099	0.289656792728568	0.1187246156847	-0.00969120297319061	-1.79815116915268	0.905674070229411	0.804296876340459	-0.156768067838965	-1.9587525065869	-1.97401364752607	0.526328303841424	0.887314290720121	0.806834487711244	-2.24956524768693	0.45622068799104	-2.69155466452523	0.753338703572889	-2.84423751964076	0.730744654995901	-3.02629093254084	0.605063553362143	-3.21836316301442	-0.200306860110282	0.465129826027959	-3.26847029069593	0.756145224163878
Methylsuccinic acid	-0.696730471505826	-0.047468608756608	0.575191620476848	0.00975185145561689	0.435727455600853	0.233510474247073	-0.395890395021314	-0.273921417484954	-0.730280003115919	-0.232429368184676	2.17426050896033	0.22077418997201	0.704864019419424	0.362569582847256	0.230760648933525	0.525767345633144	1.50072412037161	0.374110663220653	0.217248889163779	1.03215170414529	1.01214945265694	0.629013037836315	1.22865332997496	0.431201212342021	0.0459913756516116	1.22352055259096	0.602797581483934	0.0430494065820367	1.33307684971769	1.09990351221902	-0.553379214361415	0.716732550240963	0.667980976491126	0.902464143756299	0.585926385107167	-0.0201649278788534	0.548355057512497	1.4054606398155	1.49191205140033	0.922148569781791	1.25834914550203	1.23235326153627	0.870006613261448	1.27598019022487	1.42975369582696	-1.62396292070935	-2.23952103800151	-0.369192341716124	-1.12853586177623	-0.34455558990362	-1.03472948950097	-2.65684598357557	-1.62044937086306	-2.07897461239016	-1.38262126735284	1.28571590790901	-1.57667463872601	-0.155727426259088	-0.934795523468206	-1.35232354088339	-1.37673639959551	-0.241694160900884	-1.02263211607111	-1.08237517318914	-0.757425129466322	-0.198981428546741	-1.35329305534789	-0.287192187486553	-0.819470719011536	-0.850088475840678	0.477915712275333	-0.901106105245926	-0.357418792486528	0.67248896932914	-2.54623240861189	-0.956929984161181	-0.722000129693079	0.425622974760294	-0.239140763221495	-0.889652290755623	-0.0195103966050694	0.37876204753742	0.631254918698317	0.210602828330598	0.674283469516589	0.23079736061354	0.568581498370619	0.367166027089053	0.593669347282786
Propionic acid	-0.613474333951626	0.0281475205440492	-1.93755515125889	-0.983789347314302	-0.164221182289291	-0.426519641116041	0.538285737870736	-0.450388466653608	0.059324270750792	0.105127240030561	0.281566608136266	1.50655376826552	0.345429503098663	0.42383231287194	-1.89312389476224	-0.179743521981791	0.911369922486783	0.141452195204331	-0.938702682780195	0.326833281794393	-0.180011196302401	1.17397579992235	0.29399478200272	-0.0879162580751799	-3.13324886781676	-1.15733880194852	-0.109026511116522	-0.556804319968905	-0.0171077824522546	0.172499007803338	0.335225386875894	1.01264476570486	-0.609415701441352	-0.581729490725733	0.405012657145105	0.18540841745867	-0.710596150106003	-1.15596087336754	0.858938916356849	-0.472607975193132	0.270488840739321	0.588762063393103	-0.549375000891472	0.119324179927322	0.101893841649177	-3.70817993893483	0.147011686787813	-0.19211774637309	-0.332233357478179	0.645988816358609	-0.61569209200695	1.3979659285952	-0.580630249871604	-0.0704632046212251	-1.75455216027056	0.515072866645359	1.07932103701333	0.624944504894474	1.29494732268647	-0.122401121503382	-2.80121480629742	0.895059989508704	0.718883549622739	-0.163721195640878	1.57293700694007	0.37339305603607	1.41441293273969	0.932614175609856	-1.7145344718251	-0.948099185330604	-0.0189844505548828	0.595439051123479	1.35874943354736	0.815930154102562	0.219448371437089	0.713102252662049	0.163020822977487	-0.372900367922594	0.562184608062574	0.787177862961722	-1.22287634632228	-0.576896377303265	1.0478743244	1.10428655020302	1.33257741063044	1.46172922285235	-0.646747832347429	0.541662275577258	0.249075822109509
Arachidonic acid	-1.24388941406126	-0.415187519220701	-0.93028959946035	-0.0947088093351652	0.0938587960056673	0.487081164743115	0.53015168547107	-0.19246665291684	-1.36430192815808	0.595048507290688	-0.433961276204828	0.555792519990722	-0.252352402234992	0.224885438361333	-0.212290272876487	-0.140589015674051	1.61987206713416	0.218966907318733	0.032610855230631	1.30801636871786	-0.0238880292622913	0.43270373765549	1.33421922938659	1.31033899001933	1.14671574661787	1.06657359957884	0.22401033011189	0.871590007956716	1.81368380616817	1.14611120059073	1.52658395805513	0.85928652393418	1.15584834185599	1.38109089793782	1.38556084426828	-0.104840241646379	1.04317982131868	1.54790974754201	1.70087056835078	0.107295253904443	-0.139272122736181	1.60765647739053	0.162645620134337	1.62781597134222	0.0260810262869908	-2.03904319685006	-0.846796879411289	-1.46864574361771	-0.416668022003681	-0.0633574382677506	0.169387738520544	0.210339559396833	-0.496517532406036	-2.24584060492369	0.642268136903524	-1.29415108891438	0.1981199588749	-0.640414439365828	0.0515155265285108	-1.8735041262103	-1.86597744871869	0.214239473649724	-1.00833676851658	-1.92864132471287	-0.330401164052719	-1.7890416143782	-0.861279571591505	0.339102327308138	0.275624456801734	0.234189470386696	-0.320876075758726	-0.828293842058691	0.0984173716628789	0.116206379676796	0.425493573032404	-0.941147692543136	-0.113452823750638	0.382435594213617	0.336146546093527	-1.84812394247367	0.308580695727335	-0.0107553977239782	0.212645011787994	-1.83330854834338	-1.39412488866802	0.46371370025628	-1.44518274382645	0.690946093483475	-1.06150742210031
Adipic acid	-0.438806394945385	0.633121027613585	-0.552711586137079	-0.345270985869947	-0.297766443453999	-0.184733995393267	-0.403087637658576	-0.133209174332776	-0.37655541825981	-0.130354318114486	0.0481549130858683	0.50477404954937	0.581107868178861	0.702971655893704	0.247694017174349	0.213051664000029	1.32384394994134	0.212728137029345	1.17463790841043	0.82541912684207	1.17893678055974	0.867073935709507	0.237177064076797	1.43123922712512	0.401420928908059	0.230834949984849	0.448759579476406	0.197405005561667	1.02881264201073	0.0759298654011856	1.32685295390362	0.671783343773028	1.19477587776625	0.320338922975416	0.328654178758196	0.1979627501235	1.06951515824301	0.471428736141677	0.982737805139287	0.382608232530658	0.615990904264597	0.354508974980908	0.90025680407338	0.765453498078246	-0.928487010159364	-0.212868980141726	0.539580854056228	-0.725944095706824	-1.04172936343883	-1.82261401862865	-2.13134446523874	-2.29933721306606	-0.360114172524666	-0.250207314006537	0.0809448923171567	-1.18229456714397	0.0551347328885874	0.470602478348715	0.810998110753531	-2.67396364181837	-0.176623544001046	0.589106752105123	-3.05099231619885	0.744426981349519	-1.1580420361329	0.734106640096922	0.245934764211061	0.116851373676732	0.912268444369921	-0.238957473747683	0.0473986808753685	-0.269147746226499	0.538652540953271	-0.142423115849363	0.730500871527913	-3.27764037089752	0.634641354678881	-0.226719541070089	-0.430370769465007	-3.87495441904764	0.584325504835418	-0.511854379192289	0.289316758809497	-0.737805075351439	0.065267489715991	-0.0712023499865934	0.393141419949149	0.106923430187893	-0.179952579785699
Malonic acid	-1.84132678330581	0.830452814664821	-1.67298928866579	-0.679505213987614	-0.27265971063414	0.206655677790274	-0.704977759537604	-0.031734252986013	1.61273655679858	-0.443719861378241	-1.18335917126388	-1.72960241454923	-0.215610573378491	0.979810156326923	-0.0942140295094333	-0.27089643293698	-0.208164654214476	2.57753439871156	0.000369115280479228	0.777184438893745	1.49962729676943	0.328758225013792	1.07507549770677	-2.67498954793674	-0.240700577086492	0.545426440534842	1.05331143150786	-1.5905722774831	-2.63479163651113	0.570580448862627	-0.666003254853383	-3.58929261687564	-0.35850745006864	0.601978512180104	0.445288588878887	-0.424228062868156	0.721654296788588	1.72945759179939	-0.483577743542092	0.781863445673134	0.318189297304979	-0.147905703962232	1.23858399743853	0.923459980692597	-0.100038585777794	-0.254352155479479	0.959198885476514	0.0671188993692676	-0.0760813118582249	-0.501397872889717	0.0922937512729873	-0.723533394276683	-0.180516320228243	1.30031835362519	-0.482618351462618	0.00553254052563639	0.190333996330137	-0.542982726337726	0.310660971984316	-0.305237169262551	0.219056445209162	0.283482358455681	2.28472771287303	0.0576578188248268	0.511416486648124	0.931574030116617	-0.554656278921414	0.966428254575246	-1.01998746785867	-0.735047734623732	0.505785304342786	0.371106979522662	-0.0785154575643885	0.0413667887976483	-0.26223791840524	0.378815965061792	0.116525270061889	0.510596915932773	-0.0622053223874715	0.132284533449148	-0.178548022478254	1.495975639544	0.371825392630863	-0.0764780877560307	0.0430513929247208	-1.13676416710466	0.773712479227607	-1.02738821555204	-1.28092979864029
Isocitric acid	0.252131194236315	0.838274624066535	0.205482712752577	-0.0768858423352842	0.198130080225616	0.265486316146181	0.313567872759307	0.0749276608500546	0.959218626401567	0.593302861633907	0.938934721398066	-0.407719543680143	0.634873030417213	0.531984474666505	0.816628292666831	0.611496798640135	0.535119723659415	0.777636996355668	0.548637833677202	0.826117142484968	-0.0372529413866816	0.0673588134354983	0.592523115677504	0.223299351976396	-0.148099984403985	0.0852370844667067	0.445308704084215	0.0131874598976736	0.242023986634293	0.101301570506783	0.0551735982442233	0.76547102840155	0.548725259563172	0.5302675249699	0.661951424923871	0.602032446013735	-0.0176130057802641	0.755326995256946	0.140210973081712	-0.0912656476393187	-0.216033385701452	0.417606267572973	0.796662516846783	-0.0812567423042729	-1.01506486340936	-0.358936934162204	0.784850304718608	-0.886237649037497	-0.10912858654329	-1.29742248316124	-1.98231018919869	-1.54305897889709	0.0543018918668106	0.960307939290772	0.697018344632911	0.863861708556215	-2.13720943259758	0.691275179525844	-0.776426068652212	0.874045923383707	0.643698055498603	0.503406231655301	1.07113415670741	0.758043662990327	-0.477927790028839	-0.261681509591773	-1.35144287652812	0.699426648033335	-2.55270604618702	-0.679960385072194	-0.0962163795605502	-2.8172424752071	-2.83993414652612	0.230533918953907	-0.234259614374236	0.646798949788276	0.317133138452273	0.596313882820441	0.793271027574745	0.689372599146541	-0.238046811692269	0.577501730218153	-0.504980303892979	-0.899281858845547	-3.49517534864194	0.460074085067319	0.977485024967706	-3.56967925507228	0.344983591670326
Isobutyric acid	0.979549546840446	-0.108676389688247	0.272530602180662	1.0832538278164	1.45224330528932	1.15972956693804	1.39548040390222	0.219202279252766	0.583805842180079	0.622780871177154	-0.750344463765931	1.04726448150999	0.614433228190047	1.62431584710198	-0.398331326144374	-0.993913680663479	0.640331583778707	-0.965009000767175	-0.0494161929035336	0.394060024159918	-1.28424647639001	-0.39497935448073	-0.311545839158753	-0.195517214578747	-0.568321204261211	-0.404749903396245	-0.634205761681361	-2.18780271520111	-2.70405081401177	0.433095892651257	-0.397416512880844	-1.13021651630919	-0.953708376062633	0.0445000062731541	-0.690295801715795	0.580471264508401	-0.244112367299898	-1.34114829161648	0.753616148894102	0.526341416625629	0.78169190359237	-0.0922814224398203	0.0427149000324138	-2.26407857059694	-2.21129918012241	1.57241564705758	-1.1685476997244	-0.318302828126247	1.57892865978826	2.24560951517281	0.825757075977539	-0.513730872444431	-1.84260496178396	-0.459838029331093	-0.449501198702675	-1.138461419006	1.19322445161986	1.03842218053543	1.55622979703108	0.409991016102593	-0.34609292626216	1.02364836932471	-0.755412277378485	1.08672864207097	0.124916976534938	0.017833977129444	1.00684282980911	-0.104922116208717	0.487735220541667	-0.827852667076624	-0.113161997286012	0.233370536309638	-0.725993519006442	0.662997639895497	-0.0931627904021775	0.700760973845861	-1.35282422684	0.403702757249537	-0.014454255712727	1.14866485647499	-0.757088519748306	-1.1551615448382	1.18031756884441	0.465227289128865	1.18433330671993	0.452316622942811	-1.13892812754706	0.075359323937844	-1.37503882337803
Suberic acid	0.454406404408847	1.06599662157537	0.230706197813859	-0.253594210316983	-0.391731739752577	-0.0890820477265946	-0.438182942907366	0.63834382997737	1.6245221966953	0.330444660042402	1.3906589521823	0.554776663475016	-1.15060480618765	0.364459265166291	0.146118222970689	0.637431567416008	-0.269498569572098	1.33042898597674	-0.913808272922176	0.917650648905071	-1.39917029356255	-0.0043727704621731	0.100281832606242	-0.0641614413165866	0.15099315945025	1.56244899885958	0.372557983189165	-0.79393127412741	0.852499855218901	0.145483724106558	-0.648889955709954	-0.559963835997279	-2.61650195210995	0.310314625095496	1.24087554106793	0.735162827066602	0.198391312331614	-0.856105278168536	-1.31991258762419	-0.244326781990956	-1.78350969587102	0.821295996829537	0.431805013231899	-1.2861518116809	-1.01592327355211	0.69230230126858	0.446832141136146	-0.85654826780108	0.898409473415744	0.0961426962988853	-1.89833523963807	-0.546894901764424	1.09513488715754	1.51376446153912	0.757614671740282	1.56854906443286	-2.30712019681463	-0.863182939579817	-3.5466603670751	0.849435320058388	-0.29824707534536	0.852833043396212	1.365111687849	-1.40052741278318	0.356064415129937	0.350547454065123	-0.142128994651944	0.842399972579041	-0.581174408534007	0.772534917614258	1.82700690003883	0.272080699606521	-1.16722770471176	-0.46382446377858	-0.384310646142481	0.414196969777981	-0.387828352019198	0.212839822408556	1.18160069237297	0.739933098975137	0.857582622722356	0.0708900496720817	-0.961294694387681	-0.751757856755889	-0.86565036229326	-0.30600326053629	0.313698781619009	-0.0456507428258391	-1.08176980153595
Docosahexaenoic acid	-1.06890151853884	-1.61684984644067	-0.713299520398941	0.37910214712842	-0.297864127736918	0.803752565953537	0.501737701291093	-2.11718543305388	0.686855855106128	0.520814998013674	-0.931016784124435	1.41896700531999	0.329878604148565	-0.206104146890291	0.930300028882539	0.861664365211131	1.36604038318572	1.38974526488323	0.321993978889897	0.275413258981133	-2.28348907517508	0.117276895413983	0.872845692015204	0.299161934087068	0.128717269980806	0.499804461410592	-1.80086886700865	-0.067234580500306	0.871584993218482	0.0300740411203647	-1.72891276473922	-0.449850522241282	0.262047290021671	-1.09119219309879	1.4695970409861	-1.4467150543518	0.226727229549244	1.07421046439726	-0.508904975844369	0.67180228217838	-0.632586832885472	1.32996508818652	0.535612551851241	0.337676088097901	1.56534818501917	-0.312482311115522	-2.44269119636419	-1.39576736869985	0.500096620752373	-0.00822186255216053	-1.02416867044747	-0.503530729676436	-1.86361483829097	0.195485400113472	-0.38809071292577	-1.15249335965538	0.507385863899143	0.148036417007942	0.336242520453606	0.483147441424513	-0.489337843492434	-1.27088561761497	0.616110452384896	0.892574040588724	0.106070540500249	-0.482172663578326	-0.0543959082470296	0.166332820466283	-0.334611947727043	-0.161885267603547	0.717143772013174	-2.90316380175613	0.902696166550196	-0.565376974350362	0.42765313825719	0.799715427160471	1.77168601400416	-0.450957739536744	1.77762249497593	-1.33871567610937	1.20901831574464	0.125722346926172	-0.0996306827149313	0.297681260576534	0.335726249534901	1.29992554226875	-0.750604980555323	0.300992007318174	0.957993878592347
Homocysteine	0.402911698921469	0.727101423715997	0.581959980282586	0.599411785158092	0.809721935663525	0.537384358170836	1.01531941021835	-0.0948739995084282	0.48287648808105	-0.565602176000937	-0.131674814262206	1.67502327941931	1.26754237406537	-0.176558674717631	-0.0613783408311395	-0.529901371228132	0.406664810157443	-1.71026401836467	0.835335635226779	0.652192092368196	1.28753404538646	-0.0488867283908871	0.0154476779954011	-0.960607934895623	0.195691303845948	-1.11818413606041	-0.524590778859957	-1.07013159045629	1.35053187858451	-4.46181501420442	-0.1010258261201	1.67998084377147	-0.509626943972803	0.567714112196654	-0.728404376005723	0.788340856091272	-1.02684735524629	0.949904381160226	0.0153667951521671	0.464611499667284	1.33582670364168	-0.384259147276298	1.77291081063691	0.557082297663945	0.783541941123785	-0.14129028886258	0.24623037169663	-0.0784373487291855	0.271868928119786	0.384120112421123	-0.235998061865686	0.260261031639105	-1.23862221985747	-0.198760558984497	-0.743288372239531	-1.95216686272717	0.568992137706775	0.770702874471108	-1.25775483989055	-1.24695629323175	-0.988067600445809	-1.24228230577429	-1.04466290706874	0.473224260277696	-0.571166778208329	0.762266766638174	0.0403062871946936	-0.715905774831103	-0.608118892705858	-0.299846613720553	-1.54105076789698	-1.1213261086882	1.57419662781015	-0.856962238218916	0.157892252553556	1.12121175553142	-0.755647506188128	0.384211361405516	-0.825369360975666	0.67766234740061	-1.61004692223411	0.558546637566881	-0.435992551437626	0.139832552467589	1.36652829553797	-0.0899272917096076	1.87636588531895	-0.208487759421583	0.820418548191407
Pelargonic acid	-1.90340093429178	-0.928860668372962	0.423302922508853	-0.0394713163410306	-0.100183086511594	-0.510909001498886	0.309619599009138	-0.431038554561472	-0.777915923717635	-0.456349690248099	1.47006923602912	0.290624791833355	-0.683698325166957	-0.208779704919334	0.172738706141336	1.34643661677554	-4.61798530278644	0.0901533471433401	-0.367509838918999	1.34785790788583	0.535831225901675	-2.59106336222505	0.147645298998371	0.122216216198032	-0.570625541653381	0.719585856999847	1.76369311854746	-1.0778458763511	2.05376898178001	0.217874868888342	-0.921167256573967	1.40127204493531	0.0238521854891005	-0.532817076779464	-0.292336886776993	-0.42634999566841	-1.49657655340017	-0.0966058035863332	1.28014355669345	0.585114639434583	0.0186403715887103	0.234849319419313	0.717707345668608	-1.23218944789334	-0.0722994741661164	0.535396475565589	-0.256011766072529	-1.24813173978158	0.0903254283044186	0.132670460359837	-0.65848503395671	0.383331866595987	-0.443140748891035	-0.0368032221922853	1.25221060920152	0.6759691996834	0.707468208821166	-0.468213780316035	0.757710796968713	1.47583546517829	0.907276804693571	1.05722436705339	-0.161304193564448	-0.0605150248229948	1.54212450681981	-0.333666586787185	0.731382496018202	-1.68630684510722	-0.660094647077019	-0.414020547145778	-0.259199498787653	0.575833923984536	0.948158248606408	-0.119894756461453	-0.906553026640809	0.645118278727404	0.403805286488729	0.686625560685486	-0.364519962075889	-1.40551659018199	-0.389524626467306	-0.729511854247455	0.722680652191742	0.00683967340429814	0.641113790425762	0.031707046457516	1.89234889554353	-0.867874449525454	-0.270887677136284
Salicyluric acid	-1.72727043790289	-1.22329486548966	0.451135946176431	-0.118679702003172	-0.762218139857148	-2.41663594639423	-0.698354437983751	-1.06490567982659	0.802666825417219	-0.0710297845968057	1.43418147168549	-0.718918178745504	1.34139281279816	-0.942353466732344	0.845978563099168	-0.236279539761865	-0.290066527101559	-0.182746795350379	-0.428434968028245	-0.47515963249051	-0.779909938400332	0.82706685744905	-0.207032745769713	-0.858929626252625	0.479173330110793	0.529482558692564	1.07902883476705	-1.70244110946271	0.382947340193005	-0.553581171616986	-0.583658429213617	1.04244197693337	-0.594564032914521	-0.635899530191548	-1.13865066065496	-0.780793736689378	-0.346412602360846	-0.874501189039464	0.394886113146431	-1.9947047591916	0.141808872445762	-0.764338471488294	1.96793941433838	0.133949629392613	-0.747730571901927	-0.784499022611952	-0.548302375154818	0.872330031804409	0.751830845008285	-0.093839270510872	-1.23994073442993	0.862195653609542	-0.816744678280594	1.46490122211447	1.27889163457593	1.73450052469257	-0.513069385463246	1.42354891310832	1.11950988203227	1.4003308118944	-0.567655600042931	0.0876151138779175	0.71290905339775	0.73090542573219	1.54591901411689	-0.850783390916305	1.83462163087411	0.377056735113121	-0.0905565075194836	0.890053899060707	0.0395620794555836	1.18058357178002	1.52961854652121	0.264450276892112	-0.709756612580308	0.147935474200339	-0.894415002584817	-0.161250818447789	-0.54039133885062	-0.328392608221702	0.476672213579944	-1.08282040636759	0.0103919042977765	-1.49191939827008	1.14072682422439	0.102630575319811	2.29268822875975	0.601920484253382	-2.09454728927647
4-Hydroxycinnamic acid	-0.375846151223966	-0.0752187688328804	0.375507216698218	0.233770804746316	0.0141577173129325	-0.94667235650908	0.165636536298733	0.00599470771301127	0.55907142119854	0.373875666305757	0.789686198108491	0.202910747950988	0.737730419740207	-0.00490862803396545	1.13805261620497	0.756347901115183	-0.642750329325195	0.512776493089294	0.956685694613354	0.934425568191714	0.452053818891932	1.00917649553024	0.426650391263541	0.764039031379117	0.922543189313023	0.86480958945326	1.04334536430391	0.25798748104091	1.18126176245698	0.521991506401308	0.211779336692622	0.831632309976002	0.932258357755954	0.507763796319332	-0.15958332188919	0.67675781813878	0.681442947710951	0.55542255414976	0.899900618099439	0.133530269131883	0.772927513344819	0.964736556417161	1.33646690152761	1.18309847426077	0.606602117478947	-1.17598042353524	-0.274792663353335	0.0276016885037724	-0.00702608348919529	-0.657193130593973	-0.788727420233096	-0.0299519818342075	-0.232672717505375	0.156979473328382	-0.424094253745237	0.472234845724146	-2.19515139583903	0.451724109745868	-2.57905115745614	0.066091839989016	0.0727846279382544	-0.122508441774074	-0.405946167389729	-0.368643036132949	-1.37317283100546	-0.920136098566522	-0.134619933906937	-1.06689120008551	0.258427651786046	0.418663952875811	0.112941211717649	0.337652774891595	-2.895440334051	-0.492604426805595	0.227967946524538	0.243192451128488	-3.60566881223719	-0.563889075300917	-0.440562091530332	0.0444862566541106	0.139807485629998	0.00242155870826015	0.01467156396708	-4.61555724938187	-0.264833169407492	-1.3792642700733	0.700785153623677	0.053181915190312	-0.0770664972049748
Ortho-Hydroxyphenylacetic acid	0.26842461117514	-0.237661809602264	-0.415281426154938	-0.846192182481672	-0.845333711944082	0.427279930046923	0.0833976873420499	-1.10356770041142	-0.189098558342169	-1.82776682782062	-0.950929961761991	-0.310420960102078	0.701868347969121	-0.0745131522646063	0.951556087832111	1.37497296892054	1.67935503167058	1.00223668544246	1.22627925622535	0.69642573519948	0.88410312542904	1.69031495618605	-0.552822113154004	1.10210084507589	0.0250310433239338	0.857603173724961	1.81209490314476	-0.50135189678727	2.03304760154101	0.399724498612887	0.427282565946187	2.137755787111	-0.0250015988388729	-0.0465374692189744	1.11162249621808	-0.333493813158331	-1.88163747534529	0.315344514969624	1.07816156483013	-0.111913033051142	0.726533295000532	2.01496794783287	0.0792973795891537	1.06312460089332	0.530080865062409	-0.243815961414846	-0.695240701591002	-0.791212698514007	-1.65923332742488	-1.27837386868777	-1.44938783364117	-1.39360039739673	-2.28656790634187	-1.832509681019	-0.835617226343087	-1.05937221612179	0.593445038910709	-0.208680173908745	1.4024114444615	-1.04214441652854	-0.76692701943328	-0.404460121626568	-0.111967455193131	-0.560800716832599	0.378051968915261	-1.19481466018145	0.671748353340892	0.461182947138105	0.961932619749608	-0.940359329347904	-0.355994206492333	0.287321621800372	1.29285991037367	0.658119550418275	-0.646335731442391	0.741784257607604	-0.0632709561394966	-0.13262620283997	0.158196303411227	-1.52624357664763	-2.03493273082686	0.224937844464348	1.01442608855082	0.0334816872771504	0.24396269628063	-0.480695866984931	-0.310049775873255	-0.4248146158596	-0.840276773921197
Pipecolic acid	-0.123554323866271	-0.256564137745658	-0.114511608256405	0.315167242452151	-0.315296113075614	-0.478546847552904	-0.682080098274079	-0.556723135779392	-1.81202694373609	-1.11116825598897	0.42121307183792	0.2786860884266	-0.02765661217673	0.429992135860612	0.52875290909386	1.36140774630341	1.5670377451905	0.42229316058082	0.439632894509157	1.24301147110408	1.11414355436977	1.48358659855466	0.202302576026456	1.41292872358207	-2.02533137105302	0.598530592393551	-0.274352231123995	0.869531974294741	1.71877228196811	1.00030583171504	1.24146001380387	1.65781498675581	1.28401139269041	-2.33844409278788	1.24923006899181	1.00323196947769	0.27852479755968	1.25033415093369	1.59994752845148	1.0470709628187	0.213249284440823	0.859488001543214	0.440371585369943	-2.30123330966663	0.437232879565045	-1.19531659173574	-0.411202383879538	-0.667731939110292	0.251617155899486	-0.80016634966601	-2.14103191968449	-0.89978792271998	-1.58221880266753	-1.1258293246895	-0.638730386461086	0.300263477015542	0.0137232448439222	-0.0966654948538639	0.288577587496901	-0.149150606619072	0.082325568236595	0.443583112416349	-1.72698824030516	-0.851342560750112	-0.349621761632056	0.132707043873984	0.379218952148392	-0.421463071004525	0.194975636027392	-0.80426550259106	-2.67851143019474	-0.0982217486880783	0.70138024302728	-0.14085901136385	0.267012446179927	0.321907609620075	0.320372276972898	-2.96036873676364	0.245529144231223	0.0840473383835847	-0.064940856453352	-0.141677377486781	0.522811655074051	0.116803381914761	-0.098038933930536	0.127053020328488	-0.204608747177864	-0.107092518927706	0.0101481860836803
Indoleacetic acid	-0.150396224689466	0.530937322553843	0.727305678949468	0.275829802285467	0.255310589163154	-3.50423124396074	-3.08720434493946	0.164409099123045	0.38779109310396	-0.279378740317949	-0.150396224689466	-3.64259280862927	0.566598024392495	0.632677120437756	0.236222581988138	-0.609051075309882	0.176967307779701	0.4188408364924	0.301842310807479	-3.93688410131546	0.145053902192633	0.0706533055749554	0.342169197730893	0.0971678897929251	-0.0518590106389269	-0.446207021791676	0.313408628674243	-0.521419009984265	0.0292042566731395	0.0105960556204854	-0.0778434344404581	0.0804777967497112	0.46231418665156	0.0253222115758729	-0.198936265851289	0.143837482724907	0.220954780049747	-4.42191163725112	-0.0759515183341739	-0.160537271113019	0.499321383159615	-0.519550273322065	0.587930066136105	-1.79002375753093	0.100825627943039	0.595122071561425	0.559201487547382	0.298388994883234	0.403213389448113	0.690769886101394	0.33668710346168	-0.723990914308157	0.182474399221912	0.354100469702252	0.00332051410913656	0.282417200405176	0.266018193406423	0.620717350539462	0.333730641643623	0.572056978259043	-0.0600870045512418	0.497139046113813	0.96608949548238	-0.363442332078477	0.448835524754235	0.70327159348404	0.256423354849856	0.60366736648753	0.266279260613947	-0.0579454104009313	0.421269421611888	0.487616247204054	-0.156509637730682	0.539739085986969	0.311950045765937	0.501061904475517	0.210496547965929	0.258911766984389	0.471096086446204	0.127468698882087	0.424005113723139	0.521603542900494	0.488008776590468	0.106123986119303	0.719521870845343	0.680566285812007	0.835947973622591	0.696484106336446	0.140584941503543
L-Kynurenine	-0.896855545059898	0.0596350237914855	-0.190873161037237	-0.452194659767623	-0.13858272035288	-0.611596293475827	-0.147662010525181	-1.18602820618271	-0.706621929474601	-0.0670789238385441	1.15531100856426	2.70926368577677	0.255877876913351	0.953756531720489	1.12062397247528	0.47041142294845	1.84436170267916	1.08340245868748	0.219163774229726	1.23355876959485	1.33709769125671	0.545252599875576	0.348629038800249	1.14090616786844	0.0835192238424813	-0.119651980577195	0.814303727950007	0.257999657708519	2.69084810395196	0.0546363604469766	1.21905363271456	2.17291277042394	-0.493334060569431	0.225345263145558	0.724527334011805	-0.692439509528479	-2.91672016291947	0.285703289921275	0.872736253445623	-0.0466525364482841	1.28501843884698	0.580290532185225	1.34465598638169	1.44152761156822	-0.598804017863881	-1.03782602790565	-1.34922733129228	-0.701957505883863	-1.03367611302955	-0.434539631541183	-1.90413716011113	-0.706621929474601	-2.03735572570707	-1.1219330528269	-0.871005838438062	-0.44400406441939	1.38031677842046	0.199231639293358	0.159878317557355	-0.308701812036835	-0.433804330566103	-0.374635470143987	0.906309744040908	-0.0626470539234909	0.254303858619843	-0.380329863031825	-0.0871456241962734	0.0594522470456418	-0.411348219243166	-0.65106903381714	-0.678502695336213	-0.730468174323023	1.11592461265239	-0.950933914092811	-0.268857994314136	0.0803378847523218	-0.372785189126154	-0.397301660443177	0.365754387236968	-1.10488737639281	-1.91188032013791	-0.811102577098684	-0.283531744137072	-1.71561659780046	0.736501774601131	-0.00731361794694101	0.202543667244541	-0.3027894093429	-0.837852047489966
5-Hydroxy-L-tryptophan	-1.25657430232798	0.559513362353416	0.323910416830127	0.251660834770538	0.102769992347533	0.162155877288581	-0.589968778732603	-0.906729454601609	0.50129975748802	-0.0143729912990785	0.44761915826486	1.21771720896463	1.43966464428736	0.490938128297824	0.721049186484532	0.734243689395885	1.62929420710564	0.686961891220013	0.604278870977846	-0.19629389817491	1.01775870789135	0.851192597695302	1.29667804365086	0.99756447876473	0.156357226039848	-0.221601987841536	0.727746054166304	0.0578173037819966	2.07579909147142	0.522676846830911	0.759078361868961	0.839183057989309	0.0335817703591786	-0.257585022168423	1.48901136822922	0.0986046076323518	-0.649725687066753	0.327024506196171	1.48866537374021	0.0452091323883587	1.7580440714399	0.943175721647338	-0.206613690159095	-0.130067593677753	1.3346089666893	-1.74527477323404	-0.206296034264173	-0.861468756216236	-0.517267499690674	-0.982121017636271	-0.894330018823715	-1.12767107524046	-1.81737075003374	-0.843988701991888	-1.0042720091469	-0.630717961554204	-0.203437248604666	0.897077841964639	-1.06150134667965	-0.555660895566593	0.0923270630835742	0.416467401008284	-0.70809607765762	-0.671552459719314	-4.46668576397507	-0.199133083117797	-0.187034679567471	0.151530852761719	-0.135313482580399	-0.49414363641973	-0.324442927917703	-0.0611712966692403	0.670794583132517	-0.0256364496367593	-0.019173428943822	0.306128268089897	-0.919417226172796	-0.162677378625771	0.887305572599525	-1.00874183272203	-3.0188207056266	-0.806849614192897	0.420339377665877	-0.942654382358112	1.45618355532366	-0.373540889006538	-0.537241927348271	-0.776715656955104	0.728945363766483
Dodecanoic acid	-1.0444300489155	0.820955023061785	0.434038249863313	0.187691561599931	-0.203310550782019	0.269662563147319	0.214249503100736	0.529535603382887	0.952498181136562	0.409241724949134	1.06394179034234	1.06943329514335	1.29088507262412	0.504777214738496	0.367483492388585	-1.92548403377308	0.791218566888648	0.864125982111004	0.423758170162184	0.807289916671294	0.176457713005926	-0.703305130389003	0.240392745858772	0.269373974953327	-0.401664275408272	1.29065797930532	0.853633708226913	-0.115206401345264	-0.0131651353019675	0.666977579707522	0.402683236804725	0.823951288831821	0.228664914444614	-0.194330661262042	0.845555545122275	0.706810118045239	-1.40038721615962	-2.36250847058805	0.720488054323697	-0.722231001361487	0.511119964123725	-0.0810251515379048	0.539509967169058	-0.0201379695432492	1.73316530583924	-0.390989434566864	-0.311842968186419	-0.766074655019057	-0.66632629326842	-0.584091732036024	-0.62289140160016	-1.56387775778194	0.105562199323854	-0.0683167422301022	0.043219101807633	-0.252820124224773	-0.715127253546757	0.425551968698494	0.384847268203333	-0.0224148547918344	-2.66015921223286	-0.528582937129927	0.315549392617601	-0.370020798402154	0.130495648525831	-0.907937786859973	-2.04976502178667	-0.778461804543164	0.554393986108773	-1.84201637083399	1.27489221674748	0.724924841388	-0.252820124224773	0.951281067262875	-0.218135986088552	1.06655674706018	-0.369930366082834	-0.407281311760369	0.616213614590181	0.59552807546356	-2.55591116259204	-4.27774959964355	0.603329165036494	-0.0200263266896245	0.97456912506183	0.336822197024996	0.683236538658362	0.234346931089707	1.35920998074726
Behenic acid	0.317037572735865	0.788007236277029	0.88970927077324	0.664978172078495	0.031530715821484	0.403156431295801	0.361290634398721	0.400948388245263	1.2530676162733	0.34181153700068	0.27813833393162	1.00235537103937	-0.186577038500689	0.578378545336725	0.375584258972149	0.470455476060108	0.22935732752561	0.72182642379393	0.502123372094313	0.665462544527768	0.502507908560097	0.400578897226624	0.587021339293674	0.306737602035481	0.227589802497998	0.0532632076263561	0.980707498211336	0.158026774865797	1.16471154210471	-0.249636941670397	0.258966776235679	0.454892971547057	0.44705752288892	0.142844710254879	0.927741447662754	0.168132341004415	-0.925746662335501	0.259342668027987	0.826267509217669	0.219124759027689	0.618926851519719	0.65922162931024	1.2344094655824	1.18139948799805	0.413892236549444	-1.09364559853631	-0.0392500457926808	0.225102861780166	0.339108622687007	-0.355325557428251	-1.26602863360226	-2.93001439280587	-0.386728443487312	0.801129200015309	-0.544125061949533	-0.233830683683762	-0.204756285687309	-0.582891461362158	0.108795439696027	-0.648752505654225	-0.356988348878647	-1.42615569031987	0.130104821461504	0.321616747011801	-1.68358035932385	-0.267326790807844	-0.443489340517423	0.296027688177019	-0.122490308059728	-0.192234322706607	-1.6927466456575	0.434493338239763	0.634192648854211	-4.09511854781669	-0.0710088146202171	-0.174503092687512	-1.3958752463826	-0.547469854647689	0.583249092149558	-0.281092105430413	-5.01388620835635	-0.960644729494139	-0.125531056280221	-0.372158140796343	0.0944409133071177	-0.11633262013465	1.00976509789822	0.896010695555395	0.643320191151002
4-Hydroxybenzoic acid	-1.49986080403979	0.21268688572248	-0.179816412331955	-1.36819915876793	-0.969380907416191	-1.36264519007907	0.944154477559052	0.426223614074634	0.0976367296571884	0.43257099967053	0.55225245481499	-1.09087813636502	-0.337333169101952	2.39812148706775	1.52824549349369	0.592962435522422	1.46823149889449	1.39815012053998	0.213847692178477	1.33477488305212	0.71711101454024	0.530987815578559	1.15447827568229	0.815303987364923	0.923231221903156	1.33597319025844	1.23269665547948	-0.0163438354779796	1.66232841859622	0.736764028324961	0.338886560803192	1.5236152805686	0.490218114161163	0.63018208263944	0.887873597706477	0.491372823752587	0.00891416446971837	1.11882943745496	-0.478097099735518	-0.209145379623649	-0.192989703695182	0.646626800093713	1.43002196571779	0.258559997777347	-0.459215127287617	-1.91413032687184	-0.12696462331351	-1.2497697662983	-0.459104168345573	-0.169426641060656	-2.08886564006987	-0.559882373783248	-0.0351558248094966	-0.0383001091188503	-0.0855673587678906	-0.316252657265552	-1.32552141227517	-2.20558159496519	2.36803201558366	0.33188671678978	-0.0657779349370138	0.16198470354667	0.589498389702812	-0.62193754362611	-1.4238969040841	-0.255139739865609	-0.680096172209088	0.0269487713259925	-1.76415850772201	-0.0278946891554818	0.437332190055482	-0.203412990257987	0.152888559994157	-0.459431032431252	0.158989077468852	-0.35520908571648	-0.252470514299177	-0.493232130172119	-0.214448582610852	-0.694147444789187	-0.522943895995729	0.564441001404718	-1.19369642773237	-0.770876885473251	-1.77241063344499	-0.42467368081771	0.964538921357059	-2.70212514891962	-0.653967187223111
Oxalic acid	0.32213812506866	0.915389109718394	0.924207303714738	0.371488432531486	0.255106821119043	-0.198166549441889	-1.5232854961556	0.979928050660072	0.647893870069779	0.130296669996423	1.2416800263396	0.32379164604108	0.268309551971938	0.584429843642184	0.474795698424791	0.801392322505819	0.0618265157762192	0.338156585633565	0.248760655824432	-0.139512145529446	-1.08541242525662	0.0706869678373649	0.290708232541567	-0.215143842605064	-0.149012895039864	0.807453316500258	1.03073427748471	-0.0290117096797731	0.266557411825986	0.756692042611509	-0.0356412355150481	0.195733554575167	0.400536260287659	-0.359918617117326	-0.00601719344740946	0.116769181324671	0.160113152354878	0.0161748288705177	0.868893231811303	0.39154645367202	0.622804308317147	0.309121895986985	1.18476946517297	0.256558869368358	-0.14639180396865	-0.0234421227372783	0.492609404481708	0.409814017564747	0.526953612628785	-0.848958385323347	-3.70725937669891	-1.38135783993928	0.802750221911724	0.273697112854174	0.282197269962364	0.793475371111502	-4.06239737945355	0.037231814200392	-0.330079568595429	0.270792539775455	0.136523151561595	-0.598920512280188	0.58528707115244	-0.274483785146483	-0.274302987720058	0.242665980841383	-0.633718704936821	-0.101129310155911	-0.515898609131946	0.161534719891297	0.271312328563328	0.898118456311652	-2.24889026232785	0.78467162712407	-0.192191700185294	0.313073535428207	-1.97173930849076	0.0086974587572547	0.19839164665448	-0.411290015830707	0.38635526180182	0.0107689073818693	0.696669323475176	-0.0224337770141528	0.141777395702052	-4.83537074802435	0.687189427089697	0.0151559660536906	0.258220005886827
Phenyllactic acid	-1.32544838432175	-0.100413789281576	0.12486151622027	-1.71047720798026	-0.831018025819421	-0.543640739543222	0.0234857961317279	0.823337094041512	0.0265084699098208	-0.757126656035985	-1.18480202388538	-0.696451413942665	-0.633761001494568	-0.735420130227656	0.402028106954828	-0.261461991138839	-0.0885131649507549	4.05891275751814	-0.352299616266362	0.919113186566313	1.06531013904281	0.00587413546518464	1.06673863431107	-0.182161419534696	0.865306964331183	1.72403025886767	1.0685841266037	0.768051173771457	0.96107198338966	-0.345075833018037	-0.673570477306068	1.92934266249621	0.303331061382088	-0.20686580276539	0.54952920802463	-0.285450144268411	-0.114911304018065	1.56547050164426	-1.19204466142004	-0.812837419456514	-0.525126069537128	-0.0770747210691086	0.321846331577589	0.341811272590526	-0.883494581071105	-1.60240517672294	0.18367913497964	0.486741841872352	-1.98690961321357	-0.0567011989786835	0.232037654603888	1.21959552254375	1.15274474109722	-0.00604323327606826	0.591234155897003	-0.731373337651955	-0.995740980911383	-0.734070633322163	-0.87552631876825	-0.159509659808509	-0.692602045019666	-0.0489005850202351	3.54487473470728	-0.254831450632182	0.541758018891526	0.806109913376702	-0.551525037493308	0.785238734318717	-0.267408566871352	0.29571691671958	0.816705740876848	0.36473184969286	0.916227973780095	-0.355223536868851	-1.37118261431041	0.423882026733712	0.0319170333944506	-0.604906880601569	-0.116073048512038	-0.624812179302092	-0.43492818380981	0.93435859333963	-1.03724497609057	-0.861772413462778	-0.572862062021561	-1.33980457990354	-0.711632983402317	0.827648352554413	-1.55631044589148
8,11,14-Eicosatrienoic acid	-0.202144503156648	1.03998689749272	0.506126858871702	0.0931118037538535	0.28701397438531	0.318939597064276	0.411915683083316	0.324560487997364	0.682615791098517	0.270146832819847	0.894705457193394	1.3031648173259	0.63585242094679	0.652955617113751	0.576832330318284	0.541651758953038	0.984343701702191	0.484791764824401	0.23221351945411	0.887391265399405	0.696499807125263	0.695652965038303	0.507245195240054	0.609134813478206	0.237346383227338	0.14165354009374	0.749726302115195	0.382595796765861	1.93077261440907	0.599783054493814	0.586587598371163	0.94806181200145	1.34679580827118	0.371127143009201	0.51758955850391	0.482757115395199	0.252075875914643	0.725320192610727	1.06650593962172	0.235029773951922	0.701756809684875	0.701732045352658	0.812055819740441	0.887552182060287	0.494078791350714	-2.88433286607052	0.53118291445708	-0.258984104102304	-0.649195351054772	-0.966589538051795	-1.3065824332861	-0.742702261919995	-0.46985624769554	0.096670856938884	-1.63852348850901	-0.250865031868958	0.403904528533845	0.0945323661907281	-3.02617718571153	-2.40917914023564	-1.12636784491539	-0.0657248570098671	-0.269317255123475	-3.93309427133856	-1.35041725419225	-0.396947148375028	-0.0567567855774187	-0.841257303228543	-1.17335183479247	-0.251847577882355	-0.557507033673281	-0.161555010007575	1.14536673968801	-0.20914809478604	-0.0573058358923295	-0.17148732983325	1.18905524809254	-2.28006772781048	-0.221189613604799	0.0892713165293021	-1.08668439952246	-1.38288161135722	0.16825158262096	-1.37044184456162	0.167821712096545	-0.146085012347676	-0.202540499031242	0.019876034661118	0.403417479092034
Succinic acid	0.343426875391741	0.810039462508008	-0.769398413700048	-1.19373994561042	0.172312696364963	-0.145741563415861	0.349813503401024	0.653851520095898	0.73807751252866	0.27624504755609	0.703635724952307	0.235896805388174	0.335066685984932	0.681846796102947	0.603288183442212	0.112069002625405	0.051103986089303	0.846692663578644	0.366819727288272	-0.0286637741777781	0.683453207230011	0.347572228779239	0.545739704413527	-0.0338080456267023	0.551483492245251	0.591182041848635	0.241455954292102	0.080920584763393	0.783698088068745	0.447551983709326	-0.337199873676376	0.452461899126446	0.183650589387456	0.731969285741417	0.897396423922642	0.114858256875094	0.371978961311228	1.03749784196131	0.369759811598546	0.00144175709002189	0.600368314471295	0.399611669121686	-0.840018307695722	0.95006383664733	0.290676146027563	-1.86629524756676	0.70004687516482	0.0161242259711354	-0.151779181821329	0.570262887730558	0.0668826352266345	0.128610299371821	0.461210822077592	0.714380934613814	0.169109968930112	0.481955894834942	-2.05480499606651	-0.506023521333458	0.10922666634266	0.0921309796455208	0.350873913775786	0.249548357690856	0.936491469532017	-0.654719890676198	-0.455722789968029	0.0729335082791276	-2.5301812053079	0.887078328997025	-0.0165464168238136	0.107622427137823	0.142387026778494	-0.0431754410391989	0.216075575241161	0.695049863056856	-0.513933740325052	-2.9100083258641	-3.16630167892135	0.829773115181638	0.862842887309915	-4.08661507075158	-0.0877320966759032	0.420222342986234	0.0148658830427858	-0.239232638194621	-0.295055495088345	-0.426945353545243	-4.14933591170898	0.171401999049109	0.0808917656819917
Stearic acid	-1.55539055524309	-0.00925888142461602	0.299594467919891	0.393932073918746	-0.388560353660048	-0.738274584944949	-2.03755451562347	0.243049155104583	0.0310138473844706	-0.246914622484382	1.18349101588714	1.07365915497216	0.21536907581314	-2.66620434927528	-0.252888759434996	0.00244474476495541	-0.353726169990247	0.0346251084496698	-0.173803560289831	-3.02706245166506	-4.27866903177418	-0.410486427833975	0.26381427820166	-0.682905367069915	-0.586281630126876	-0.0792378723871647	0.41289838203535	-0.626968277046838	-0.549701125813037	0.0641917154337913	-0.826971920947189	-0.159368869561095	-4.49046065850678	0.0227661390985072	0.492650796237272	-0.270948587390956	-1.0844062040301	-1.30514051537594	1.00304839795076	0.648015483814284	0.56696552231443	0.374678147951181	0.541886343192203	-0.960007130205711	0.945362261676081	0.0869209893563233	0.101993323777052	0.23359429236811	0.406725532985464	0.019795607662682	-0.054146484872945	-0.0264078382706863	0.301957212575638	0.0498295258204085	0.328249409182241	1.01079661980802	0.971316243234527	0.324042675333103	0.135847867207999	0.177905011536272	0.161367257847538	0.340768791822925	0.235520017190579	0.277241504783222	0.178981391742932	0.0124893282680858	0.190920728799734	0.475839141678706	0.278939073148516	0.202136513064469	0.32793972702263	0.926826770257652	0.906281343841792	0.740415526821625	0.30148479058544	0.645780376669936	0.548655943781177	0.579791708679484	0.747486050607918	0.153184412091535	0.364847628462365	0.309537760344535	1.07340377773679	0.988091024241476	0.951609462265866	0.80977693894078	1.06954330540988	0.628965249115863	0.451490777057798
3-Indoleacetonitrile	0.369949357472121	0.609860802872648	0.535962212878508	0.00251939595692432	0.205088130722522	-0.44132042611416	0.553427395086138	1.18203133136688	1.00481078557714	-0.362132074055078	0.732144564561541	0.351252070553118	0.440010146780932	-3.17245046715065	0.369710501756484	-0.192012212809944	-0.0595153414522264	0.950752609486934	0.392341420103809	-3.46919688769431	-4.49843738412535	-0.766176473558579	0.655516134784392	-0.548795119347408	-0.15707346909256	1.59061204276496	-0.332180779971029	-0.0582674609007701	0.426879999016377	-1.9327592120666	-0.651265816210563	-2.41708510827656	0.612606465658442	-0.800112623682605	1.31126845349646	-0.0995878515781862	-0.375235883042593	0.464492630868398	0.431780170862698	0.209162164146981	0.603529865214096	0.417032212027351	-0.335036314484999	1.23906470304723	0.811609171825867	0.466286434809729	0.278343728452863	0.302675581648632	0.163620799396612	-0.221356592097743	-0.963736578636009	-0.432746623412812	1.08009779952754	0.896139638163861	-0.0347303677122003	0.373260187504345	0.375606613103216	0.21003861186804	-0.959938626375514	-0.744151472308414	0.462700859589678	-0.553265607058021	0.914104515041197	0.544863480195679	0.509146022525059	-0.476234749240533	-0.707220061698494	0.300391795145986	-1.27322673615922	0.116760990521604	1.54998482386118	-0.948304880524975	0.761205709423966	-0.707145854248072	-0.148873281984698	-0.442830188793579	0.165513155292682	0.20940975540673	1.33286251203835	-0.678850412614544	-0.021427641825662	-0.779044935346607	0.641743685169493	0.328163523792527	0.741326037344188	-0.0605849309752623	0.207198424727965	0.753849174387156	0.663601848799307
Gamma-Aminobutyric acid	0.195089672687662	-0.165884235819932	-0.0575888322399539	0.0233897733573349	0.494636976963205	0.813383271434143	0.615968431930136	-0.0860276209750115	-0.521243614062018	0.233528072453839	-0.132038279199945	0.261810546334573	0.189348154750033	0.473677985278638	0.648086414451309	0.466523910958712	1.12507515077665	-0.286871665835178	0.375382665366039	0.982080907080601	0.784812546175341	0.783382437700176	-0.223137807566189	1.26704824660742	0.70588600000836	-0.041808769453872	-0.00687854208586679	0.554216847139799	0.756853447715515	0.625704392659285	0.904284325151857	1.04216173199344	0.900514322430126	0.514758499154392	-0.131264150387529	0.521116049618912	0.923667405925473	0.808432206844346	-0.128755380078554	0.818638092789473	-0.198939621064677	0.305473311942542	0.0892538708211503	0.115532548325369	-0.496151241197386	0.206154409368708	-0.343813921936233	-0.624043941723789	-0.0601249455020159	0.353080903864486	0.567613625055404	0.398655930048548	-0.435424036184016	-0.637823683289378	-0.0180604723719646	-1.03965860454129	-0.119447483675375	0.0758025619304169	0.470672010925357	-0.110355454471792	-0.279741006079683	0.351743461107292	-4.5697576111965	0.131228680701799	0.620771101730952	0.248028406245656	0.383126221804371	-0.570074075013989	0.707045376582148	0.279589868592357	-1.04855890966615	-1.50278294232219	-0.288093987071442	0.0616960171241184	0.474583918757292	0.342404066695302	0.300041159874578	-0.042960236435212	-0.770096176435252	0.109300758116075	0.595861318117138	-0.189770591868264	-4.07787846051018	0.441951278498319	-0.895567366005829	-0.548214277377472	-0.85279325104215	-4.80829451938578	-0.129143577894105