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
Oxoadipic acid	1.50098914735035	1.4075635310249	1.50503100874736	0.533287161957125	1.48681996506118	1.93422630878096	1.76639460334356	1.51897023802481	1.16328919654416	0.928296579931703	1.1533056129103	1.4202193770207	1.54084525448084	1.87139700691226	0.354863986440549	0.553227029997206	0.794360087824767	0.172373058959958	0.668789577823797	0.954668289666138	0.673760576364438	0.775351239982475	0.211778693311964	1.18171662198559	0.660782921748545	0.0739841852513059	0.113030133409493	-0.224693513576685	0.737122910655839	0.750791237546722	1.00807796237758	1.18866148237464	0.406608831972913	0.589393530302054	0.0106332742127468	0.731845493778593	-0.155489815886764	0.975736512425255	0.27837885157512	0.67230118178378	0.0982393300179846	-0.0673748867600639	0.321146703609051	-0.0202196157730267	0.409810191355402	-0.705468813678241	-0.740092042132369	-0.825174732717847	-2.18676796899988	-0.528239316928207	-0.0860747982953048	-0.36206575201104	-0.523953841894017	-0.994646755046293	-2.003811483904	-1.28055441220139	-0.819919730977754	-0.588626365307119	-0.155669665889331	-1.79025261219328	-0.784633630281853	-0.50842563358594	-2.13930698032495	-0.504873767666364	-0.209077554926614	-0.570309925681366	-0.483717856757459	-1.07433564637025	0.0734381576357079	-0.275124273610069	-0.906883914531507	-1.2352422123562	-1.89517373559089	-0.778835264705101	-0.477660864104957	-0.111317317879834	-0.137937026051376	-2.89261210238646	-0.743863381717645	-1.47149581217851	-0.256694889879326	-1.50501823498927	0.3696670155047	-0.577501099308916	0.187281641098985	-0.750636483231143	-0.136172415579234	-0.146002733731873	-0.554797326710804	-0.54170949477299
Isocitric acid	-0.250439890131606	1.12545121016849	-0.359940785730795	-1.02276213998963	-0.377200079519268	-0.219090577925666	-0.106225735523975	-0.666400817303491	1.40935062450748	0.550413684193811	1.3617369467738	-1.79934876059131	0.647993939053088	0.406477202746525	1.07463942381847	0.593121449447685	0.413836768625853	0.983112717463968	0.445568673002461	1.0969131939444	-0.929729354976494	-0.684167645808647	0.548583337784877	-0.318118675138494	-1.18992754576107	-0.642200863023556	0.203017750184942	-0.811327449076411	-0.274165170124142	-0.604491691089583	-0.71277076286785	0.954554780647282	0.445773893247746	0.402446899433382	0.71155674657772	0.57090518311073	-0.88362730684953	0.930743057757455	-0.51315721901959	-1.05651675555804	-1.3493918637103	0.13799008986725	1.02777251059666	-1.03302222661958	-3.22500838193416	-0.405223031975647	1.27208084661538	-0.513243260170116	-0.473438090227988	-1.05486521128512	-1.07363903623028	-0.715383677099395	-0.0497946119700241	1.66313268425237	0.9379640642592	1.42550779987236	-0.817008354234416	0.991767100746255	-0.509545687374238	1.35520140511952	0.937390303011075	0.811379043569029	1.63389135271665	0.954701609328683	-0.408546291472518	-0.866004749920145	-0.517282473919571	1.12195696966484	-0.9291603089818	-1.46266070835883	-0.0656662393206408	-0.306595001547339	-0.236011058711962	-0.541495808593843	0.190496004094566	-0.596225626207398	1.23479245312552	0.750796627705405	0.901001939789313	1.36933399117304	1.326809200162	-0.336407523252325	0.876183549719687	-0.669158501121723	-0.911149121172295	-1.11984929102395	0.676039888434942	1.50874616492389	-1.47750845996838	-2.89623925882467
Fumaric acid	0.0195904220241608	1.44363637155295	0.235140439005226	-0.062380318906028	0.228872456656127	-0.0511613019934789	0.588228619594016	1.72683613802524	1.61165087727749	0.117689147713161	1.41809438825273	0.65543052208641	-0.13787949696641	-0.207606123856348	0.241738017163987	0.525202187741796	0.595951484964305	1.76526832030581	0.114095483640687	0.194057521648119	0.26124861774592	0.220887435479948	1.38204017126943	0.398963530289347	0.239737179646754	1.60994548784939	0.271064616715944	0.171883869656657	0.496781158355415	0.183401371671878	-0.252335438068891	0.0279600627705798	0.503031009336875	1.04138432292224	1.6459180663452	-0.0418313250812869	0.169137242364338	0.841205312961857	0.311967168588723	0.345829860172608	0.210884517359602	0.128774875623887	0.624771663386572	1.4295763018039	-1.07674204161167	-0.546670256810252	0.965730006293248	-0.677146208431838	-1.00191640515085	-0.632936876198103	-1.11781033891439	-0.313077094353514	1.34739445832325	1.2237681826846	-0.972522397653014	0.73476723287707	-2.14600971464142	-1.64326399901431	-1.78449350791131	-0.40310248717904	-0.446231949205837	-1.11700398122788	1.30761233856022	-0.916626863617171	-1.20952826668376	-1.59317449808848	-1.15563631615022	1.15982873595095	-0.206739560311543	-0.836782509587542	1.1959961402462	-0.837309319319251	-0.394500474012012	-1.8993981887287	-0.258123282832829	-2.48438497447231	-2.47146764054249	-0.877034652423701	0.609215840639829	1.18495813904527	-0.737736182004249	-0.21586788396648	0.235013013357126	-0.4278859922558	-0.357124283013028	-0.27596566852103	-1.28047085953929	-0.0268214430274483	1.21140924338416	-2.078869449058
3-Methylindole	0.223704241714677	0.484867434897147	0.98393552472644	-0.235782968429832	1.14014611789367	0.957695645721322	1.04534088141231	0.423132078668859	0.803073082354005	1.47639842256428	0.897821431107268	0.474612319624051	0.641141054419364	1.07605652975966	-0.306201702570692	1.22738864540058	0.556284596439012	1.77235664456981	0.888805763054327	-0.0300415152547022	0.633371478199545	-0.14382496298857	-0.708913141187784	0.641185555974425	1.18340752274446	3.38015767226646	0.570639904795974	0.0966508055007923	1.76531890475747	0.144501021966471	0.239651366401091	-0.275554993932315	-0.134394288101784	0.657100667675621	0.806242202685914	0.493623430001239	0.565400666401466	1.47449638971257	0.722120363626212	1.12309958106889	0.765395525948512	0.49636402668888	0.591967411740531	-0.976477762537967	-0.265073839910733	-0.746897800271032	-0.228425404916246	-0.556246164487058	-1.75322741712298	-0.593072796517602	-0.227547614981882	-0.360788147137011	-1.18987361086904	-0.521614440485692	-0.257691137105872	-0.564821022205748	-0.627383416562528	-0.605846468546172	-0.292902644174102	-2.36065167158833	-0.193518305949894	-1.27594584666555	0.757203117378259	-0.273759542605342	-0.573050119345936	-0.345888444990802	-1.54679551231832	-1.1804503782837	-1.5144518235064	-0.332428568216726	2.37666637283474	-0.434085481835286	-1.47834196156658	0.13688436518759	-2.38365705715328	-1.66765503557691	-1.52578237620381	-1.45514723992978	-0.8971970383065	-0.772903764826234	-1.09739162232801	-0.493646513558376	0.517339234090061	-0.827685755321356	0.194665506910967	0.0424092447024535	-0.512848897831724	-0.00599225020494553	-0.538819159834536	-0.157925125341691
Arachidonic acid	-1.25306553835843	-0.443849365655551	-0.946839568185521	-0.130906247435425	0.0532274643850537	0.437203779911762	0.479261559864711	-0.226365457227712	-1.37064672697356	0.542632427121575	-0.462181684995634	0.504299487380121	-0.284843080079055	0.181173205440178	-0.245722953539397	-0.175707647320622	1.54335874855932	0.175393840063878	-0.0065803199683821	1.23883588421064	-0.0617507152045862	0.384104959089416	1.26442262264605	1.24110389244365	1.08132801210005	1.00307029131664	0.18031867409094	0.812671455819018	1.73261328588141	1.0807376810952	1.45226417395098	0.800657270363893	1.09024586761776	1.31019217194884	1.31455701397979	-0.140799453822333	0.980226583794541	1.47308851845397	1.62245268759489	0.0663479834803103	-0.174421719208622	1.53143039067672	0.120396866193286	1.55111586339107	-0.0129566094629218	-1.43512076811789	-0.567864126662046	-1.53720622319913	-0.0230847407543804	0.168086530151997	0.52318310755466	0.348014485598176	-0.200346647927379	-1.71327518005611	0.576302985964318	-1.26573767936595	0.336638256661208	-0.459765986779175	-0.0406414305672493	-2.21567144283493	-2.05902408223688	0.426606892328364	-0.815901712016966	-1.76570049971878	0.0193001316940931	-2.3126137357597	-0.958277040673358	0.679875932710912	0.301505055349168	0.264965126652708	0.214067656845176	-1.64441448073759	0.202572089891239	0.456167867344664	0.302296610637222	0.690896134454601	-0.730288697835712	0.194289458828958	0.489804148905023	0.450830842293218	-1.44338006575871	0.00487553468871015	-0.0608677544688443	0.0700346590577226	-1.79998311169132	-2.28905420158655	0.340162421709582	-1.59585884957405	0.145263500143897	-1.58375654657081
Adipic acid	-0.534982600446121	0.776177504530271	-0.674309143733656	-0.420571965732077	-0.362465363073982	-0.224206341664447	-0.491292133565447	-0.161182214873021	-0.458838455415209	-0.157690212056329	0.0606586960825853	0.619186057450447	0.712556052042582	0.861617390833198	0.304730922576217	0.262357091597775	1.62105591727471	0.261961359901844	1.43855008249556	1.01139267923797	1.44380837661134	1.06234400524941	0.291866796668794	1.75241966443037	0.492766595033677	0.284109250025646	0.550670282113966	0.24321841309322	1.2601795439899	0.0946324601892335	1.62473647051743	0.823468473533779	1.46318244235399	0.393588713049328	0.403759766999071	0.243900635044867	1.30996604476671	0.578398739477251	1.20382172845336	0.469755282478395	0.755224281526704	0.435384834719222	1.10293262370599	0.93804392590796	-1.13395009893228	-1.24743613869119	0.923711164163025	-1.19188406546711	-1.4013862707983	-1.05805988204957	-1.18740040050342	-1.82833836308111	-0.460841029471695	-0.787007285690049	-1.13698234625838	-1.1883145503098	0.598966344583178	0.821574151616256	1.02299889242011	-1.64432024132558	-1.51672534408417	1.07924999268288	-0.763922816957112	0.954558255679976	-1.20342866565889	0.992913441309042	0.613994318908656	-0.831299387293121	1.36877070119041	-1.0760334678264	-0.781837282548421	-1.37349820575552	-0.888546871415775	0.717989126372997	-1.43313335302931	1.17307279281342	-0.64835128501391	0.969236126128752	-1.32690450091684	-0.82533744113695	-0.974558363199595	0.623407038159042	-1.46916198228427	0.239023917984333	-1.49478369869337	-0.142970046298001	-1.64782135055755	0.194999944374548	-1.23355689801571	-2.0635592485257
4-Hydroxycinnamic acid	-1.08819865259185	-0.519400353654276	0.333390140072396	0.0652195250920238	-0.350296684918531	-2.1682232730131	-0.0636930699088061	-0.365741405681213	0.680700509590847	0.330303185449429	1.11703232931047	0.00683113854290801	1.0187300451978	-0.386370926439764	1.77615467686323	1.05395501922499	-1.5931913823819	0.593108766787724	1.43300164913718	1.3908846538653	0.478219186485059	1.53231621600707	0.430154947268769	1.06850692656037	1.36840274672905	1.25916860734165	1.59696499909695	0.111038386210827	1.85790800449163	0.610543918086555	0.0236108415430016	1.19639594844429	1.38678421032122	0.583624556223912	-0.679021256738322	0.903367592859459	0.912232033981747	0.673796716084455	1.32556215154632	-0.124439333288044	1.08532426828758	1.44823418205739	2.15156195706106	1.86138313221063	0.770630372188804	-1.21799406890708	-0.713017215386705	-0.0830252879034613	-0.190175762969843	-0.770155715393199	-2.60041596794955	-0.870007049040671	-0.710947080313342	0.366481582313541	-0.372307788898491	0.397396470103788	-1.12158539975004	0.48483499721668	-1.28941561243944	0.292260917352799	-0.447767713989814	-0.931612410848807	-0.588089371473926	-0.53039274006298	-0.740334530189159	-1.00152684513164	0.391327950059631	-0.490167270302003	-0.42243155577887	0.0499008455916527	0.104477969209711	0.299930112106976	-1.0698952223854	-0.962490287483976	-0.721875696680526	-0.796659468814396	-0.520401488708368	-0.883767030994445	-0.670849859953856	-1.29665768438586	-0.578392734268535	-0.577267749723426	-1.41804720640663	-0.772278227100457	-1.83788997769443	-0.342842199846509	-0.957381479341947	0.689898573658724	-0.417708599795776	-1.25720231890623
Isobutyric acid	0.876707905842332	-0.22280739638674	0.162354275291104	0.981488025496019	1.35430543705042	1.05875713165402	1.29695367159524	0.108472718958717	0.476858716047339	0.516238075928985	-0.871132199828575	0.94512532207862	0.507803833651001	1.52816307677916	-0.515467242388585	-1.1172282283657	0.533970861394464	-1.0880236884028	-0.16293242833944	0.285144455759958	-1.41057296581843	-0.512080497032587	-0.427781434001702	-0.310549116759513	-0.687220612658114	-0.521952406608695	-0.75378866312668	-2.32350278824705	-2.84510649693978	0.324585286290923	-0.514542938759927	-1.25494508338547	-1.076605829877	-0.0680419330335153	-0.810460586897608	0.473489545130335	-0.359648400499711	-1.46806508621918	0.648430652022197	0.418798148742293	0.676797667433395	-0.206242346093331	-0.0698455581465681	-2.40056993706529	-2.34724300786694	1.59764842915112	-0.810460586897608	0.183196144090754	1.36348826543689	2.08276690516055	0.431195709704192	-0.563858474948736	-0.829710370260269	0.328678730558139	0.0330272309927317	-0.0869666337775353	1.37081444816015	0.692347072123243	1.03249963211691	0.0532681338561883	-0.330243852200268	1.40776870999334	-1.28151277792266	0.871115413116181	-0.0629386807294312	-1.25885210931369	0.769513157181755	-0.793837792084178	1.00371672217689	-0.0159327388668164	0.12244942231996	0.653277324092812	-1.16066288781712	-0.748346348893629	0.498211188139146	0.672509029882202	0.0601048977621034	-0.194055847655421	0.470654061627371	0.319783132622632	1.76394600314524	-0.184960340067302	-0.99726232402066	1.43053761231445	0.962274171381752	1.59471892820886	0.981935194215729	-1.29295740635188	-0.666669559276976	-0.300304872844669
Malonic acid	-1.71305505560364	0.989455202549683	-1.54278135247258	-0.537870279280363	-0.126345261598721	0.358483185737138	-0.563635808631068	0.117351307249585	1.78073672873128	-0.299372936672789	-1.04751953672081	-1.60004563937796	-0.0686399483426067	1.14053044404001	0.0541528918151967	-0.12456170277966	-0.0611083866309246	2.75663162170616	0.149823926670501	0.935574136886241	1.66632649229071	0.481990149660677	1.23689152207245	-2.55630656293861	-0.0940185358763542	0.701150470933499	1.21487712679584	-1.45941638541589	-2.51564629737383	0.726593799264603	-0.524213021363902	-3.48112589487199	-0.213180416952564	0.758353001358249	0.599860839283041	-0.27965694458146	0.879405290178269	1.89880028257814	-0.339689261978174	0.940306961341099	0.47129965873379	-0.000156341287837021	1.40228068746467	1.08353213182287	0.0482613418249233	-0.574565922431063	1.17690927018806	-0.125039597640654	-0.214521720161175	-0.524091597999071	-0.0895030036232689	-0.812444975684952	-0.39355742325337	1.64716552079608	-0.318283598615858	-0.0841056897171721	-0.0993629154849064	-0.352578483630798	-0.615109695836285	-0.315366589202135	-0.0697305922567815	-0.0172317422712664	2.3799891656011	-0.579037398599504	-0.433298862605901	0.971575429563906	-0.298796932055646	1.16149543343705	-0.733907894438715	-0.259086189370849	0.390564896309038	0.213926798632139	-0.770159719230564	-0.437061538373858	-0.323287199849382	-0.655319006321467	-0.514675296628695	-0.514675296628695	0.324297073645347	-0.0528417028529669	-0.14737781049874	-0.442423704809212	1.35332609950356	-0.452095246083494	-0.482997104912002	-0.218240624065576	-0.767953074289097	0.21648079070608	-0.391947865218976	0.000621906022860133
Propionic acid	-0.330101645789933	0.45031733432443	-1.9406106921879	-0.780524060526252	0.216334988150886	-0.102704480796196	1.07080983234943	-0.131736665956405	0.488238311344066	0.543949485022249	0.758556625886099	2.24853584567545	0.836234490198996	0.931597577370418	-1.8865679633791	0.197454819984963	1.5246004518783	0.588132338631087	-0.725684144295338	0.813615491231657	0.197129241735361	1.84401384093966	0.773673291108116	0.309146370300092	-3.39495964284625	-0.991616135143162	0.283469498427594	-0.261172643129598	0.395272299368595	0.625895269638734	0.823822995921262	1.647783303743	-0.325165040494877	-0.291489684553491	0.908706810128732	0.641597272690067	-0.448233078157727	-0.989940129860138	1.46082744906739	-0.158762750045589	0.745082490188736	1.13220531351652	-0.25213619654236	0.561217539838873	0.540016630414161	-1.2274288518066	-0.368089995402166	-2.61478221314639	-1.04395023073552	-0.717900039343622	-0.844516557458261	-0.245301356217777	-1.54433830230276	-0.0104953160294644	-0.235824105140862	-0.657511430351124	0.826407297903969	0.0176632604367082	-0.0754915258214725	-1.83873880997217	-0.262928821089969	0.301591302779013	0.325409874372731	-0.7932334508103	0.144245496413993	-0.436535435221606	1.74066022125808	0.319575995491714	-0.30066893539733	-2.85309743334605	-0.998406099174264	-0.326167803478372	-0.654272917099097	0.398973697904254	0.292078988915462	0.440347279050785	0.0431844491841591	-0.310789648122771	-1.04667906331039	0.27369628391586	0.41900107521382	-0.370542683534831	-0.301481713152811	1.18123386928797	0.419537593149714	1.22786612534003	1.65867300587686	-0.377612334663731	-0.0326004104021029	-0.0875925893339148
Methylsuccinic acid	-0.235105708189553	0.278515409425999	0.771092382112247	0.323781639295458	0.660764416863198	0.500793659418772	0.00288426961884142	0.0993720600634942	-0.261646228909635	0.132195784906239	2.03609129359826	0.490718179956714	0.873674231270545	0.602890343978383	0.498618314720699	0.731993595106538	1.50326697030161	0.61202031593573	0.487929368469485	1.13258650697222	1.11676303210989	0.813669681229691	1.28803593417951	0.657183775130513	0.352450171958976	1.28397547258813	0.79293103514089	0.350122825277767	1.3706437816334	1.18618392487068	-0.121702723769158	0.883063244263239	0.844496620791963	1.02999266382582	0.779584490032181	0.300114933273078	0.749862388093586	1.42790548958258	1.49629587747572	1.04556471183126	1.31152783911743	1.29096289338142	1.00431600846643	1.32547548861733	1.44712335419897	-1.71310786777359	-1.47021677486289	-0.358726100839359	-0.922540355761894	-0.323568717198278	-0.90538082077853	-2.09475918374641	-1.31945331589273	-1.70956250655552	-1.65587676159983	0.943977058417251	-1.0704093489639	-0.234351917833006	-1.05935152499085	-1.47189019077461	-1.12104867042817	-0.231769015252981	-1.05935804241216	-1.43441222835273	-0.884766390927042	-0.471361303238275	-1.23138747810644	-0.236018890711813	-1.17814542628804	-1.32386264230639	-0.0313096670516707	-1.09524369614654	-1.16941630628476	-1.24958730230497	-0.151148816355591	-2.27344355990419	-1.47527830990411	-1.00748871264586	-0.399985275345761	-0.880424210615912	-1.25944146986797	-0.266831121622115	0.122645334133752	0.150484154975514	-0.110756073892707	0.326611430958968	0.0150213535495031	-0.135166142832678	0.0933522296181536	0.0657748605006043
8,11,14-Eicosatrienoic acid	-1.15595360398165	1.51062601382479	0.364547348553198	-0.522104037321674	-0.10583923974554	-0.0373020345215162	0.162296925614405	-0.0252352329027419	0.743429799474584	-0.14204923804814	1.19873910126046	2.07561042410296	0.643039253320334	0.67975600830642	0.516336256657674	0.440811401158243	1.39117245867993	0.318745650841688	-0.223483617860177	1.18303715962338	0.773235691291558	0.771417709838541	0.366948167793531	0.585682497444882	-0.212464501918409	-0.417895734827102	0.887501127776963	0.0993536563196647	3.42294465847095	0.565606352614004	0.53727864563717	1.31328331786848	2.16927644937093	0.074733009635102	0.389155213057956	0.314377711431692	-0.18084355991496	0.835106643489277	1.56755649411696	-0.217437746353754	0.784521305574304	0.784468142065593	1.02130872752068	1.18338261187413	0.338682829494566	-2.28880127244183	0.780639276477631	-0.704313129948323	-1.63256879213626	-1.07052626932452	-1.7365039113129	-1.43205920082171	-1.10180156084301	0.0518664519685168	-1.39322793505054	-0.399564655820392	0.588973691715691	-0.324523438771367	-0.620525809639094	-0.962277515145175	-0.909819270667896	-0.143699654553305	-0.901133268035952	-1.62032741015735	-0.917759579780755	-0.444640728850499	-0.08924083977139	-0.35692436530043	-0.544984381076076	-1.42725096103757	-1.53840576973236	-0.203341536912147	-0.47926442914269	2.12767189069103	-0.399856963329218	-0.340189718307618	-0.54067455328655	1.4050643243875	-1.23142133202846	-0.66571493922582	-0.401006268533951	-1.09217606315975	-0.623814995595486	0.171283005794908	-0.962277515145175	-0.139342622273043	-0.0746415767018072	-0.120676573665713	-0.561780569667998	-1.50179948055047
Succinic acid	0.246251218624951	1.20520308165013	-2.04075499094007	-2.91283412858025	-0.105411521083495	-0.759055964849686	0.259376601430848	0.884215773348389	1.05731155899297	0.10818349232853	0.986529035601611	0.0252624073320099	0.22906990070027	0.941749845133243	0.780301290062622	-0.22922044510781	-0.35451178486348	1.28053035833108	0.294326687497936	-0.51844530150992	0.945051236877951	0.254770479492744	0.662031396145098	-0.529017473856021	0.673835655597448	0.755421534660064	0.0366872088599788	-0.293234649104456	1.15106800087726	0.460242373955629	-1.15252864086694	0.470332913016399	-0.0821106202143322	1.0447583282848	1.38473343125878	-0.22348815105265	0.30492960995374	1.67266076016124	0.300368957690887	-0.456574370262569	0.774300565121287	0.361718555144939	-2.18588840736229	1.49297207493787	0.137841348003286	-0.99813142853862	1.29368855500883	-1.18447296495879	-2.41725239053909	0.34440994232972	-0.807390366522178	0.431175310315976	0.773636698436894	1.36265516893382	-0.249904107084392	0.75517431446034	-1.24452364293803	-0.227304757092461	-1.79172446011137	-0.26833358500869	0.106701736743807	-1.73420267141764	1.4742551649671	-0.523346270825707	-0.0805767709706406	0.240427428924808	-1.54829190592523	1.36257521401386	-1.21953817150719	0.102977938044648	0.863950535691182	-0.0830389612760765	-0.156768338140403	-0.589910425441201	0.730544687235136	-1.36782394330325	-2.36278915594426	-0.487342821633139	0.8440314501161	1.37338987797127	-0.94523597615951	-0.0284346356005823	0.908560342705214	-0.312113502675999	-0.593934415939058	-0.0758411705655749	-0.492500490495856	-0.336057340089124	1.14831648232014	-1.32864540893483
Salicyluric acid	-1.64581017096749	-1.16511735588968	0.431957789357294	-0.111533409407097	-0.725341538681181	-2.30332824333655	-0.664428223998458	-1.01404546331819	0.76724857958329	-0.0660848317575635	1.3695883946342	-0.684041957235497	1.28108640348754	-0.897154940183903	0.808559393543091	-0.223700347963731	-0.275002474047081	-0.172640719246452	-0.406978543975405	-0.451544613688633	-0.742216008221025	0.790521374391988	-0.19580470280623	-0.817585129820323	0.45869989700805	0.506684930480139	1.03084316536612	-1.62212791246585	0.366919373289921	-0.526343219948324	-0.555030962798072	0.995946554003169	-0.56543274738856	-0.604858619665645	-1.08438355979082	-0.743058976632149	-0.328745462829808	-0.832437314650084	0.378306596587426	-1.90088951168459	0.136921065376044	-0.727363914836823	1.8786876884658	0.129424905096868	-0.711523270087964	-0.584250783079692	0.141558588896319	1.22941687832291	1.09355286209235	0.232730056729429	-2.60760047403068	-0.0335669415336884	0.149946566587359	1.94615594887137	0.676585733904992	1.91160266498692	-0.377481398613141	2.2098335147647	-0.612154760338878	1.73303250264289	0.0899433449773029	-0.0974328679350276	0.405453393676568	0.488967526556579	0.130097856144133	-0.269325201231692	1.93430519550697	0.591675960635712	-0.939695267765019	1.43229587461668	1.53346844919709	1.83017119321631	-0.349889839409141	-0.0563458668382776	0.139911662587039	0.0799739410215276	0.647764664889378	-0.14554683819357	0.302828383745705	-0.713711896803648	0.423093094125671	-0.169327797377155	-1.56859405538547	-0.497577436462612	-2.09212330699351	0.352712661335652	-0.625855300253405	1.70623992451823	0.120791648673939	-0.360472024326856
Suberic acid	0.673600555242141	1.36583195174062	0.420404375738697	-0.127753424100524	-0.284105066468299	0.0584504765742325	-0.336681089312234	0.881791035396542	1.99800187204545	0.533293844953793	1.73330260806946	0.787205126816526	-1.14303928058506	0.57179344312484	0.324663060215459	0.880758486527872	-0.145754851377416	1.66513102447106	-0.875019959301962	1.19792583266918	-1.42437935048353	0.154329088839806	0.272782916253329	0.0866569875559012	0.33018078105593	1.92774401765723	0.580960016967036	-0.739336588387034	1.12418458627498	0.323944899554178	-0.575170858491525	-0.474519392352827	-2.80222217782985	0.510509565853617	1.5637695172225	0.991376093629107	0.383828613607153	-0.809708540774841	-1.33467112604665	-0.117264039751317	-1.859395794046	1.08886634562508	0.648019059433212	-1.29645882568258	-0.990599325199925	0.35261114076754	0.295176034454468	-0.183358163844628	0.261739061421591	-0.402726853915334	-2.41820031306986	-1.45771690240326	0.795424323646927	1.52041773408307	-0.384931785675282	1.0974248133984	-2.01386766476549	-0.854515922613192	-0.821257391214969	0.258743525384824	-0.349054619519605	-0.252318821004277	0.93075788033262	-0.494491173549486	-0.260404526835102	-0.744944832017114	-0.536778235615728	0.528981361961487	-0.709753647861272	0.898745930184974	2.28097658309114	0.69232065059487	-1.15316737405301	-1.06570108799016	-0.360920208169819	-0.51909800886167	-0.539573097201482	-1.13093768755686	0.114251762600373	0.856883465740375	0.46545239954838	1.02916640949186	0.0116254616670781	-0.335066272226263	-0.564081353727967	-1.90779415298132	-0.411797926680577	0.653676059894394	-0.751109273319394	-0.164033794514605
Linoleic acid	-0.182673142903966	-0.189536212609817	0.135302299579383	-0.263542436844114	-0.0439299482373733	-0.206850703574497	-3.66366886828835	-0.028841325804416	-0.0320365571287801	0.435437673076061	0.554432679941418	1.34622346403017	0.428902444427002	0.0190597391810965	1.0513286945526	0.821225960531284	1.15621681080993	1.67568858028598	0.172494430600479	-2.57707781603937	-0.191160114088504	0.252840384970466	0.844568150667859	1.18031063040137	0.048890674602256	0.847894518133432	1.46651998342771	0.723214552453646	2.05482361310214	0.678484062261296	-2.02223253931302	0.961253742352473	1.04897426906236	-0.786051866805699	0.841488748264343	1.30881575325578	0.639743123621879	0.505965034793943	2.05959175732275	0.894912233323556	0.991628703667569	0.1992187254249	-4.4973792506903	0.681374666882281	1.02871942976727	-0.471106677176051	-0.492525292265334	-0.174564232785173	0.00305515483400552	-0.541751190452569	-0.658534392164304	-0.812260286401416	-0.280568912749303	-0.190043758441699	-0.391406494716673	0.170184951971377	1.03843036397212	-0.145957753483052	0.0956004876716881	-0.499987630475262	-0.459866216860107	-0.353984943517545	0.522273267176666	-0.402666545696255	-0.583217578394687	-0.754847198099536	-0.434785322234146	-0.302751756819307	-0.387851902029781	-0.432992585372904	-0.509796577127767	0.0969770799234703	-0.427662960290007	0.543071576107891	-0.196449066864583	-0.601818218477299	-0.407433790058851	0.193593828501476	-0.367491856449532	-0.414269876219738	0.254163436370378	-0.640448564102357	-0.847005017659197	0.708484826449423	-0.538583066280331	-0.0835296269456943	-0.275847148776477	-1.64904826408495	0.024661666821363	-0.290006688774449
5-Hydroxy-L-tryptophan	-1.98085361146377	0.576909199625731	0.245087964361555	0.143332251957002	-0.0663643761670368	0.0172742118592187	-1.0420119183684	-1.4881350282324	0.494921641139511	-0.231347583188561	0.419318330219998	1.50391804050873	1.81650696841423	0.480328408488689	0.804414915157226	0.822997943671652	2.0835796726082	0.756406651099384	0.639956570854455	-0.487563480259978	1.22229814530607	0.987707816583123	1.61512582547458	1.19385676041964	0.0091074395128586	-0.523207183935688	0.813846728081427	-0.129675370073043	2.7124334501052	0.525028956548306	0.857974890496719	0.970793680423469	-0.163808494426748	-0.57388539117279	1.88600648531655	-0.0722308694677553	-1.12617305266562	0.249473822008065	1.88551918954661	-0.147432614138762	2.26490991416609	1.11725608579271	-0.502097789736695	-0.394290902039788	1.66854742302452	-1.63665934636496	-0.405767595784676	-1.01271717739012	-0.723852676549058	-0.712415780244129	-0.991525531126839	-1.39765215866358	-2.16014802295251	-0.807312117792633	-1.09246599629988	-0.742912717696489	0.378100323644001	0.370296228275493	-0.145537695977627	-0.683459444950111	-0.546792980306878	0.266966856347944	-0.619680740612649	-0.89388832595694	-0.70311717356886	-0.29672993928076	-0.192306308753545	0.462829301064385	-0.13613750885355	-1.16416903555192	-1.22054205210479	-0.650675679713601	-0.957722480477558	1.00155137337285	-0.846903127697549	-0.506685806856059	-0.226402623170317	-0.517615356590632	-1.40552477155981	0.135699699692242	-1.05396691068008	-1.03170064298698	-0.286429207529689	0.354835912664119	-0.553880034999155	1.60158210064551	0.813223892150079	-0.711895065935453	0.0525837562370038	-0.25823912654875
2-Hydroxybutyric acid	-1.38701384751484	0.408263063354606	0.0399053361677474	-0.708224065601787	0.135950363095965	0.802819801730091	-0.272446768158396	1.08200599129	0.922157643252695	-0.392878719815843	1.13306428038047	1.12583813058967	-0.124706828272899	0.505718043628996	0.786147477944	0.969677571547133	0.46383795231877	2.76628983279105	0.529042432891801	0.534425744394729	1.28380495169234	-0.491083573850454	1.1175337614781	0.230628347424283	-1.10416978463485	1.09729983231867	1.34418769182281	0.536812994294153	0.985233576907123	0.259061745032078	-0.57658580713796	2.44883593300518	0.745301834610327	1.22220359501643	1.3502743843825	0.0230879067131763	0.0249589561740632	1.21855967146923	0.202808059017134	0.927889506644045	0.784650509904407	0.934107381519809	-0.796328162331703	1.61235689505654	0.333835289972702	-1.37178008664283	-0.277577396403531	-0.728943287447147	-1.24692517660797	-0.413994088181172	-0.206621373714499	-0.744665900279816	0.67438626873609	0.255754995462285	-0.376971723562632	-0.767428968785728	-1.13873739984332	-0.683946282358993	-0.147675746303899	-0.886362078089388	-0.899589768702152	-0.572794484718653	2.11944526312758	-0.845631374119783	-0.55175878622508	-0.203199674468477	-0.855215010244751	0.102731386914673	-1.02714626430736	-2.50511545754799	0.312488848257164	-0.555779880715341	-0.0736712924218444	0.116383783691845	-0.662156863204345	-0.774962254494614	0.177500673805481	-0.478415921150359	-0.119059467954644	-0.332005042387992	-0.375478842617446	-0.419030031313796	0.212383903088904	-0.750500958793474	-0.735205599829202	-0.882093078812433	-1.2850795203363	-3.8011560973488	-0.483512006009942	-0.826026869652419
L-Kynurenine	-0.8027125587706	0.128068533134732	-0.115706250850963	-0.370003698047643	-0.0648213231147244	-0.525120780751957	-0.0736565713602438	-1.08411255792823	-0.617592225964585	0.00476052532410865	1.19429388097683	2.70647791787956	0.319036581389235	0.998156979950885	1.16053919653218	0.52780368765424	1.86482360529661	1.1243181585272	0.283309315802888	1.27043842314274	1.37119432570732	0.60063321117308	0.40929468800104	1.18027622749628	0.15131075059794	-0.0463994220392675	0.862452523273784	0.321101330911733	2.68855732784222	0.123204228689518	1.25632316933539	2.18454356024545	-0.410037314316981	0.289324652691769	0.775089225925782	-0.603791014794083	-2.76828530536858	0.348060318151616	0.919314442935896	0.0246378725535946	1.32051490972337	0.634729360111007	1.37854946167883	1.47281727779963	-0.512672348274112	-1.2238521526815	-0.832647736899308	-0.346374435367075	-0.72196825677255	-0.528196007386384	-1.49815960517161	-1.17045487328194	-1.86336919722166	-0.506035365924188	-1.24754876976068	-0.427380778514183	1.5256637081525	0.257629641035927	-0.143318280972252	-0.595307473699451	-0.617592225964585	-0.0822236032487912	0.57298401522955	-0.567283483509602	-0.617592225964585	-0.358154946071178	-0.0441056225804312	0.478462341235282	-0.298124597417855	-0.488886728013732	-0.241577593456157	-0.586872460852088	0.0368176551256254	0.931506624311788	-1.09320272812865	0.133037749956306	0.0307929694911733	-0.514691029793382	-0.594178927355233	0.374907169004726	-0.766769932859821	-2.139894964051	-1.2993205459016	-0.617592225964585	-1.88173433011125	0.491586838520566	-0.150574636041046	-0.848516339336892	-1.14701032915602	-0.671920601506651
Oxalic acid	0.302608883702615	1.09480692713321	1.10658230755608	0.368508845146137	0.213098593435098	-0.3921802625445	-2.16167860989104	1.18098903902514	0.73760700507704	0.0464332863762419	1.5305196902382	0.304816913883797	0.230728867670174	0.652860280899495	0.506460262051345	0.942581251788573	-0.0449983734273436	0.323999144227476	0.20462423796033	-0.313856070557767	-1.57696455291915	-0.0331665636733413	0.260638958646532	-0.414850900730724	-0.326542901878781	0.950674803603703	1.24883316322551	-0.166299250015744	0.228389146318916	0.882890707332116	-0.1751519911514	0.133814467820182	0.407297878640848	-0.608175979111226	-0.135593509544589	0.0283693466010415	0.0862487432360342	-0.105959379783457	1.03271862983804	0.395293335208134	0.704103644365887	0.285227654714962	1.45452413966468	0.215037586899648	-0.323042826409888	-0.0797910134843018	0.725291497239889	0.444661114389406	0.588877481018284	-0.662918772600232	-4.56642203384913	-0.634212545868852	1.07753134881682	0.34139977061753	-0.0274562481475222	0.967854781739622	-3.93461417806195	0.0258927278943159	-0.933398753970524	0.127914653777858	0.250300250723983	-0.383091417145799	0.336797930762105	-0.487386547680799	-0.215956996183779	-0.332267492064556	-1.79795217850426	0.338238603122258	-0.632260109127815	-0.253331917304333	0.505630074238518	1.20053431307722	-0.545401070903375	-3.58391863412178	0.733052175746265	-0.657347025671261	-0.309226246683899	-0.303450545230724	0.0426876346456977	-0.64372382086401	-0.0451030260879999	0.316351966335186	0.00420501758206192	0.844436809805174	0.103692787408323	0.115542283653872	-0.693889145421337	0.647764769181037	0.575657564178103	0.125977592376474
Pentadecanoic acid	0.245173669033307	1.04325120524387	0.11629430740364	1.43265836354238	1.02552843916508	1.18078803638573	1.00806703004551	1.22212251760381	1.33829690282058	1.04701853285469	0.61387977815856	1.63483188200947	1.04623538718922	0.669511446286924	0.932261543360425	0.910503598211714	0.59720058303984	1.14699036770442	0.348083882315142	0.618494188238128	0.442721270115558	0.169067079078231	0.943556229020238	0.789460780925174	0.680110593432571	0.155023976178146	0.813077746988207	0.597744827589306	1.34179901688002	1.03662188888225	0.717965391934226	1.05631434815934	1.12324903025645	0.280631939914761	0.299040042042044	0.933358031036711	0.626631786582623	0.73460108020376	0.57979674602315	1.46803563125709	-0.00641460600187051	1.02255960096727	0.830877964222647	1.58553326778098	1.60549630878029	-1.50579850506365	-0.697394103866676	-1.79086317924099	-0.146393819935225	-0.785054686201156	-0.691225565962803	-1.08101897116081	-0.409971096325507	-0.333050978690237	-0.745719363137462	-1.54267929709191	-0.107109509234518	-0.649203495601316	-1.33606101356481	-0.806868621653363	-0.63439828643986	-1.63748926433516	-0.512086057052179	-1.86013400736697	-1.16693105284266	-1.15779532488886	-1.27115399499603	-0.4332506321422	-0.785065538107945	-0.760755864167174	-1.82868227743457	-1.66527233695676	-1.01799449717851	-0.892983821357356	-0.586588318925591	-1.1449287454442	-1.32983915890135	-0.955946766659895	-1.58273793316852	-1.90323513739219	-0.540133578281475	-0.431862031899386	-0.542532964793372	-1.24194056250527	0.436523673114908	-0.949318391434943	0.0973647573453834	-0.0736189214307855	0.454154536749585	0.542993072762145
Gamma-Aminobutyric acid	-0.0350192488554894	-0.681389631411258	-0.487472731072326	-0.342470083941526	0.501358869049558	1.07211525736364	0.718618502265883	-0.538396053564248	-1.31770647272746	0.0338096680720971	-0.620784076791327	0.0844530886381262	-0.0453001779152629	0.463829088769465	0.776129896191721	0.451018795155387	1.63023980471137	-0.898033243540217	0.287818629182434	1.37419015175109	1.02095568549382	1.01839489165137	-0.783909542684938	1.88446096059536	0.879627515680444	-0.45921649155085	-0.396669410184324	0.608044317972684	0.970891310364574	0.736051996800339	1.23488532877728	1.48177262479945	1.22813465222131	0.537389052089915	-0.619397899217725	0.548773066914862	1.26959323713152	1.06324973706553	-0.614905622113651	1.08152469336346	-0.74057956592622	0.162636907036935	-0.22453191480795	-0.177476550331089	-1.27277533985196	0.490250715011282	-0.474004825017149	-0.836905306446099	-0.0436656182941028	0.875210139420592	1.29983522452133	0.663233206389799	-0.48863115819022	-1.32980631386833	-0.0143706209068954	-1.23232575459361	-0.7054632924578	-0.119859886740399	0.565578614581931	0.136821406321053	-0.227115586966461	0.825769892704335	-2.31936052347132	-0.0951367219774786	0.822174659092097	0.435031050728897	0.644892725196163	-1.02170021092454	1.55396438228842	0.536282791190343	-1.41210793543073	-2.10224586915301	0.579597498002845	-0.118865006444813	0.0919398473346187	0.929534213078454	0.703416511730209	0.789371713009293	0.00441287799144276	-1.8298014530552	0.363096050761239	0.74567225164424	-0.382068174295873	-2.1676496746949	0.329757000169237	-2.26272943060093	-1.46282461148182	-1.58088741758014	-2.32174345798688	-1.70050759321092
Behenic acid	0.397080007222262	1.16028659888938	1.32509480018594	0.960917934553424	-0.0655840071111644	0.536635663579408	0.46879211731572	0.533057528635037	1.91391719341141	0.437226229563778	0.334043769934679	1.5076378659161	-0.419027739645429	0.820583193100476	0.491954943581921	0.645693801614939	0.254994122963163	1.05304055686364	0.69701164407598	0.961702860366538	0.697634785624453	0.53245876824171	0.83458884533032	0.380388899193338	0.252129847710555	-0.0303664925177208	1.47255747641988	0.139402924226708	1.77073612796388	-0.521216346459603	0.302976250434477	0.620474754727917	0.607777405986607	0.11480038040457	1.38672596317696	0.155778999559313	-1.61685251041547	0.303585383284959	1.22228739165324	0.238412240239381	0.886291744957325	0.951589453918573	1.88368165023749	1.7977789532096	0.554033041734994	-1.04661546074214	-0.193589839248483	0.29484841405523	-0.1494676609932	-0.944777790522689	-1.76532176846964	-2.31337022105201	-0.419027739645429	1.10664077150816	-1.20222983843093	-0.945829894927607	-0.00338436025794584	-1.5304930639509	-0.841055607105619	-1.33714984155787	-0.846979040809666	-1.81350325937515	-0.163708512206059	-0.286248179488204	-0.791051421864321	-0.512414768372344	-1.14591571984389	0.0358600372155704	-0.944162939599338	-1.16903367726203	-1.71536609416645	0.703072433259014	-0.794639364730936	-0.245158018832732	-2.116666961194	-1.1258237257428	-1.42300496491093	-0.654719564878558	-1.13045490571938	0.271409427036607	-0.679765372637328	-2.37006678413663	-0.883093143924677	-0.0120927342611524	-0.1462050852426	0.0907238067045942	0.101327006877752	1.09348793434765	1.0215283194683	-0.00922584822991352
Ortho-Hydroxyphenylacetic acid	0.534498424842803	0.0709275826772207	-0.0917704701651551	-0.486481045291321	-0.485694693605628	0.680008541156048	0.365015341750283	-0.722234823107015	0.115411106361494	-1.38559504303341	-0.582419957212623	0.00428082179270723	0.931529188458885	0.2203703603831	1.16024102717786	1.54808727654329	1.82689864823033	1.20666402204818	1.41188510476212	0.926543801612646	1.09845468930355	1.83693784554746	-0.217756565595749	1.29813873996753	0.311551993968111	1.07418095971022	1.94848723761337	-0.170610286683701	2.15087802359211	0.65476800113822	0.680010955617278	2.24678982792732	0.265722520757679	0.245995847290454	1.30686049114989	-0.0168537146882753	-1.43494009639931	0.577476656273959	1.2762105635756	0.186112388777234	0.954122069433159	2.13431721509883	0.36125949484329	1.26243683294459	0.774173320261036	-0.0343881158928621	-0.592151821911499	-0.966996822220397	-0.850085536336594	-0.878841446651053	-0.49140983431805	-1.37052657706721	-1.46807429205908	-0.94440702510404	-1.1932272564954	-0.890139034510848	-0.196665873130355	0.53440851212409	-0.0267911557763043	-0.809949257464911	-0.404024278932223	-0.256119450913016	-0.671696298317984	-1.60290537777185	-0.846121665560655	-0.49140983431805	0.280602687332317	0.162782975877153	0.329401732482402	-1.30856276102592	-1.23451138197767	0.0690717226770294	-1.05811687980187	0.433391818950019	-0.928168511715868	-0.618911844272881	0.532516956977917	-0.240920783502406	-1.52646252649475	0.417820196885845	-1.17229079036319	-1.97282848526197	-1.18180520376306	-0.206889189401557	-1.50345725127481	0.011060197923914	-0.261158006890298	-1.82566550579993	-0.368072671705611	-0.430194280032193
4-Hydroxybenzoic acid	-1.84323542171535	0.12128797052244	-0.328966299865473	-1.69220174040923	-1.23470336607746	-1.68583058854335	0.96038004569044	0.366243425169058	-0.0106900901307198	0.373524733337721	0.510815519255039	-1.37407708967589	-0.509659284471961	2.62827648956603	1.63041129262104	0.5575153629297	1.56156713899158	1.4811743371089	0.122619572235081	1.40847438412201	0.699930542986637	0.486422107347622	1.2016498356224	0.812571138761366	0.936378246836309	1.40984900425783	1.2913768766462	-0.141441185593412	1.78422250876309	0.722475202933254	0.266056034659259	1.62509981332224	0.439653755956402	0.600211322784906	0.895818278641806	0.440978363742307	-0.112466849850808	1.16075580562116	-0.671134515886606	-0.362610584727817	-0.344077843439139	0.619075633723976	1.51773564619237	0.17391062286974	-0.649474344443064	-1.23372474851195	0.132481373070064	-0.799425123202384	-1.02327873453578	-0.261040156514847	-1.29824858550095	0.206858493995235	0.348859639299798	0.20940326015787	0.0361983347866774	-0.510231135487777	-1.09294571531977	-1.82570915747719	2.88559646293292	0.155198950105553	-0.352174564736813	-0.469092764263154	0.568293505331425	-1.11205072536038	-0.0561946994931213	-0.168349429015269	-0.572547503934234	0.14952912945299	-0.564793810885929	0.143043544735514	0.976027720992025	-0.210558019961812	0.173455209562593	-0.207353283078686	-0.503536233036777	-0.10596791737771	-0.0674704069803979	-0.4794080349122	-0.448722438925425	-0.00920617669091264	-0.571663893908074	-0.872095849263323	-0.33508361268727	-1.42665815429888	-2.18205234989004	-1.65851748423007	-1.46134350760325	0.034482558065745	-1.05581381123455	-0.93006196255711
Indoleacetic acid	-0.0964029878607988	0.613956774778674	0.818690828464256	0.347981147600766	0.32658777364745	-3.59311830132344	-3.1583251956535	0.231813692509468	0.464712220498064	-0.23088042487708	-0.0964029878607988	-3.73737435422737	0.651136696119925	0.720030898045051	0.30668657796882	-0.574597481788767	0.244906906775247	0.497084747042031	0.375101842676059	-4.04420306340404	0.211633924240378	0.134063708642737	0.417146738217765	0.161707868874928	0.00633211489071648	-0.404815935477893	0.387160909557017	-0.483232109606261	0.0908488447061881	0.0714478958810593	-0.0207592989970362	0.144306743419448	0.542410151647677	0.0868014164751733	-0.147010934963556	0.210365682792617	0.29076833615486	-4.54989377347534	-0.0187867833596786	-0.106976063793281	0.580993931110435	-0.481283760905149	0.673377526871497	-1.80588203781939	0.165521434219868	0.341586207164182	0.351465617943671	0.293531395858277	0.230707193487772	0.311282470418112	0.105461081577057	-0.0573838602914965	0.105244069602227	0.148682205722778	0.0587055505290975	0.335723845882773	0.339405116231351	0.400871106075997	0.42416982082836	0.366541555052656	0.0923740913739036	0.277791250015499	0.61441346068306	0.253636001322153	0.0814085944586561	0.358467562292689	0.14313570148423	0.365192759860338	0.193315716930047	0.12254562250166	0.190014590124522	0.444341109786128	0.0455151092753556	0.348234620196714	0.281664255701548	0.243019288007249	0.196405324730734	0.326199545293444	0.0773713830983391	0.3343471109372	0.202044013408796	0.499314653883091	0.490304079695937	0.672036278175521	0.419918776845965	0.780009908624048	0.492031078131535	0.911023184745164	0.584530161451209	-0.0202304475523414
Pipecolic acid	-0.0303419098411712	-0.157268927490559	-0.0217127351183744	0.38831607010128	-0.213314975912585	-0.36909993832945	-0.563325219555315	-0.443701073584665	-1.64159740875544	-0.972790345315196	0.489512218456897	0.353503269858811	0.0611702138822099	0.497889798889901	0.592134050811122	1.38670997070663	1.58293611174652	0.490542912651067	0.507089666985701	1.27372818632888	1.15075364885145	1.50330134756653	0.280612923321473	1.43587479397518	-1.84514701175916	0.658720665598392	-0.174243536929743	0.917328629780437	1.72773153447418	1.04212194558731	1.27224768017385	1.66956193435515	1.31285310214546	-2.14394048269753	1.27966239569906	1.04491426540653	0.353349355135415	1.28071598583678	1.61434086692189	1.08674841673141	0.291059017572631	0.907743987343006	0.507794576083683	-2.10843142071011	0.504799409370227	-1.46070916732675	-0.0910060282943086	-0.902024261965296	0.42852364719135	-0.624421593909043	-1.14284547006639	-0.434901644930128	-0.924598911458869	-1.89750397291074	-0.939504419426098	0.380818657984837	-0.2466052980879	0.0533703227693851	0.419296867100641	0.0152728899169039	0.299254489468824	0.594321857165098	-1.73758251561991	-1.06125349195379	-0.521186416383214	0.288553233141153	0.422977545916987	-0.103698701902371	0.183954203594639	-1.00904842916072	-2.22680526399169	-1.72733789909809	0.297955705863389	0.825569005310581	-0.0196323821151178	0.338558262188294	0.425485956223066	0.206095941896295	-2.29419381286305	0.244780456485083	-0.016671299710051	-1.40776716763378	0.0221284193689114	0.369550563070766	-0.0534472159489643	-0.872970006930776	-0.18711375678416	-1.06475133828386	-1.48660620436466	-0.143135319886268
Pelargonic acid	-1.41176006694525	-0.411630879768952	0.97603704978858	0.501111549495687	0.438805644366696	0.0172951230736736	0.859368694561541	0.0992627625530028	-0.256722714288141	0.0732870215333042	2.05028875484	0.839875132596325	-0.160031203889287	0.327357558026388	0.718893661449626	1.92340986093818	-4.19762244013755	0.634139823300665	0.164459578897945	1.92486847149804	1.09152005705097	-2.1174787418449	0.693141365965236	0.667044580843932	-0.0439894198583587	1.28009961221878	2.35162244543076	-0.564528056178574	2.64931495487336	0.765214983758314	-0.403735458760477	1.97968512642677	0.566097763641303	-0.00518820192501518	0.241606379448606	0.104074430945509	-0.994253524000083	0.442476857542241	1.85537611557743	1.14209752628613	0.560749100910578	0.782635139708769	1.27817177601076	-0.72292429299993	0.467421408666931	-0.0120340540895646	-0.529887505250071	-1.21749938609702	-0.00791922407213859	-0.50284762816733	-0.656121029015315	-0.800061001632895	-1.0473166758001	-0.4868771533482	-0.403444328231733	0.461930381468359	-0.356818631514402	-1.07401868729652	-1.38035226845698	-0.209121540411366	-0.283574501838906	-0.210552649881533	-0.473312251576691	-1.03462063950782	-0.4475566963619	-0.0537734477453625	-0.388737496731194	-1.0580915710025	-0.119839369436118	-0.770456297879952	0.0184757620499846	0.890116611051116	-0.733694374935716	-0.388737496731194	-0.440954018969288	-0.618563479789304	-0.0391388193429914	-0.477641042674239	-0.821179101946278	-0.786916872967904	-0.423682489770316	-0.369974799591729	-0.935449464503249	-0.553477241754815	-0.368324045309352	-0.146513392054234	-0.751489332489881	0.250173448975535	-0.277433689635926	0.860362182637502
Glyceric acid	0.260061016072892	-0.486267247434588	-0.526866690191809	-1.26270618351106	0.00571644911430638	0.942558595457412	1.43895046992914	0.102475479572625	0.254081484370454	-0.407240053601821	-1.25724167918112	0.505458759741409	-0.0853628274295878	0.955691513104717	0.303203206960665	-0.575280494748772	-0.311828919623144	-0.0922354247530918	-0.152206421545898	-3.18990081247279	0.1279526919308	-0.234301839816554	-1.67129612453184	1.06503245780703	-0.219143956599093	-0.143132014220164	-1.15832155915945	-0.450222629709776	0.764895724121003	-0.285332858563456	0.532704810239576	0.773353316387587	0.504516540094738	-0.221581002206934	-1.00507703638224	0.425301664239447	0.878789154915239	-0.0766204838732275	-0.54479194382869	-0.186865722810708	-3.24984555883143	-0.473594900961079	0.108161217427247	-0.607319239193207	-0.370411086171663	1.2676131285787	-0.0484573436968127	0.233180375198498	-0.16240059850502	0.622939648224132	1.53588867014156	1.62049783776252	0.575915906112942	0.863207964101366	0.0919979121417351	-0.688242166185754	0.388213988173385	0.130413201942206	1.05759353620432	0.782186682838675	0.0161706615868169	0.561718780389443	0.139721674553972	0.414633448102859	-3.34474026559299	0.540549389153442	0.460493946344417	-0.440536362655223	1.76813063676454	0.678457539771518	0.269199051703892	-0.912118961899013	0.0654612222976336	-0.271544122455727	0.462709447353248	1.27956820542928	1.1288912907776	0.900068184248141	0.269293758512578	-0.491709302830227	0.908346988610654	1.38573899325342	0.0968292283368639	-0.800348750593921	0.246432975633054	-3.66683061943346	-0.0120005198702358	0.00989691512296728	0.0243109562525161	-0.661252972033614
Hippuric acid	-0.376027470291829	-0.00310876537679478	0.612086604253703	0.014539435167176	-1.29268927520925	0.75636443608101	0.801798149170465	0.680587214495508	-1.89394351078205	0.677693742889234	0.379657606334891	0.320368520614951	-0.317790977690552	0.770717936284378	1.06680327456158	0.189115030233476	0.68073700457162	-0.312253651112066	0.957149153712113	0.805966968265216	1.26123938303846	0.668271453843966	-0.274397606452152	1.32581836063472	-1.37901075758097	0.288981958752148	0.404780632835756	0.939807001111042	-0.0236887363667493	0.659593303712618	0.872525996251942	-0.441996621743724	1.06288083159083	0.898865934058294	0.558963484514997	0.733881154321158	0.566442656961	0.777461181279542	0.489407738255192	-2.96860292729432	-0.0187930023589454	-0.236088121514202	1.07546477300154	-0.108381882876336	0.381707937070512	-2.33160805549396	-0.370583705294432	0.877785492897717	0.331871213294901	-1.98401155043634	1.138743710309	0.425149292777561	0.743972153882225	-2.52338886645661	0.448192812850338	-0.582527019445276	-0.113079513303369	0.230412368908047	0.422496446777158	0.562809860155563	0.142503583730958	0.416930209336685	-0.65047651495595	0.318211654994959	0.584302352803784	0.760507047395695	0.435029719693573	-1.98760695584201	1.09238344572963	-2.22853815303235	-0.15270185571519	-0.923500620391715	0.668520899585289	-1.54494944557654	0.472207182269198	0.764242371192689	-2.09820734714718	0.643443396942203	0.537069766615964	-0.167907305301085	0.653272195905709	0.273668436441005	0.224902271226892	-0.682898723990664	-2.62413647640343	-0.597403631236846	-0.637788894248363	-0.180257160292773	-1.04985759599316	-1.7701040463786