sample91	sample92	sample93	sample94	sample95	sample96	sample97	sample98	sample99	sample100	sample101	sample102	sample103	sample104	sample105	sample106	sample107	sample108	sample109	sample110	sample111	sample112	sample113	sample114	sample115	sample116	sample117	sample118	sample119	sample120	sample121	sample122	sample123	sample124	sample125	sample126	sample127	sample128	sample129	sample130	sample131	sample132	sample133	sample134	sample135	sample1	sample2	sample3	sample4	sample5	sample6	sample7	sample8	sample9	sample10	sample11	sample12	sample13	sample14	sample15	sample16	sample17	sample18	sample19	sample20	sample21	sample22	sample23	sample24	sample25	sample26	sample27	sample28	sample29	sample30	sample31	sample32	sample33	sample34	sample35	sample36	sample37	sample38	sample39	sample40	sample41	sample42	sample43	sample44	sample45	sample46	sample47	sample48	sample49	sample50	sample51	sample52	sample53	sample54	sample55	sample56	sample57	sample58	sample59	sample60	sample61	sample62	sample63	sample64	sample65	sample66	sample67	sample68	sample69	sample70	sample71	sample72	sample74	sample75	sample76	sample77	sample78	sample79	sample80	sample81	sample82	sample83	sample84	sample85	sample86	sample87	sample88	sample89	sample90
Oxoadipic acid	2.50706802623263	1.91321188364444	2.22241380032767	0.0909619472572106	2.25143111333289	3.4665861904365	2.08721436133757	3.37437556263121	1.87851528792288	0.333857616780662	0.442763053093359	0.599468404920649	3.10544575350791	2.44104590951729	-0.283176581346335	-0.085429389265397	-0.121628184233932	-0.281443011426554	-0.0487183379379506	-0.0825635535853213	0.0194564964723712	0.084553566379153	-0.259993008583018	0.568593087370626	0.229047026346651	-0.317867160404019	-0.39750819787187	-0.390447795150053	-0.33578380245063	0.18968297701214	0.555831304451007	0.197820770208409	-0.357697308122183	0.0563349392870827	-0.318908452663881	0.342429935338121	-0.386194649417464	0.122587421691872	-0.320560756714616	0.124806128824354	-0.322161123009043	-0.469353041603685	-0.297869532739666	-0.498795098740719	-0.098587103675261	-0.552840979782793	-0.545311571556883	-0.555261764562751	-0.61405176816804	-0.525781470989951	-0.471094167925664	-0.532659528483039	-0.484386790980889	-0.548721120630188	-0.613312502935224	-0.598164419748788	-0.584185779101458	-0.499800855725002	-0.510353697964864	-0.610936036808457	-0.556443166791677	-0.555719638057693	-0.613948909819522	-0.538941161477209	-0.539131444733661	-0.536523850408078	-0.542035537844897	-0.58586170341022	-0.438366516013647	-0.447197949630682	-0.567572523980184	-0.597591145325166	-0.610442936869919	-0.595767950801991	-0.520550499165137	-0.446072942286322	-0.505937363361161	-0.620823213902621	-0.545295928333513	-0.594228712455779	-0.456044023998055	-0.596711684276085	-0.292611624109078	-0.51560586247234	-0.268674475292679	-0.546223662552556	-0.487038467590318	-0.447233946405569	-0.564971020812185	-0.470220776120225	-0.415805399756218	-0.539088424714078	-0.441021427454239	-0.6122392038755	-0.394542475062429	-0.207299706818033	-0.411767570351288	-0.25671546542769	-0.518421360781456	-0.617187175647335	-0.619661161532967	-0.602343260338677	-0.265866855847634	-0.271747328129084	-0.620898154475498	-0.509641648519831	-0.495485604759935	-0.621516650946478	-0.41676688201789	-0.423502294918565	-0.410921427886325	-0.503018740181829	-0.621825899182367	2.65461219174806	2.69296030931938	-0.501937853061362	-0.621980523300226	-0.622057835359099	0.3362481637996	3.22924047713451	1.27680418406336	-0.622096491388563	0.214992819435165	-0.622115819403324	2.29029829638902	-0.622125483410676	1.0066757826749	-0.622130315414324	0.791206999926334	-0.622132731416205	-0.561958424472495	-0.02278893854147	-0.622133939417088	2.68753786759896
L-Phenylalanine	0.00905246582749326	-0.227238072969718	-0.316049339886791	-0.319269987816213	-0.319282722092558	-0.0637120647853369	-0.120739868494256	-0.298146149002475	-0.200895095611885	-0.26458890607902	-0.271988276408305	-0.319289089230701	-0.296244236922634	-0.301212419450605	-0.308903272524234	-0.298825331885392	-0.302389274089267	-0.306917687565948	-0.307599372878008	-0.31020650397486	-0.319244519263522	-0.319292272799803	-0.314837849179049	-0.245363514535238	-0.299909538460206	-0.295751242548114	-0.319293864584383	-0.317989846254272	-0.319294660476614	-0.302765897303346	-0.315969372160706	-0.319295058422759	-0.31892273258759	-0.311775931730778	-0.299473368180841	-0.317650564373587	-0.316312734484458	-0.274058191670658	-0.315351323153984	-0.224796096110789	-0.317890752734944	-0.319295257395831	-0.302701761500179	-0.31054804701014	-0.294710504292567	0.228186203377513	-0.0844511802779742	-0.294454124734242	-0.298284308933128	-0.301058429174946	0.26350567585441	0.015342258636775	-0.182350752508299	-0.0760022680937402	-0.246558400202274	-0.233754675905069	-0.29651779466064	-0.278223899401639	-0.303695985962337	-0.249195556467986	-0.205044714043352	-0.279607955928664	-0.203846880433328	-0.270931171016697	-0.291573877480472	-0.269127412166823	-0.286268727948814	-0.289485778311393	0.213068509563382	-0.155289964532847	-0.148489425191521	-0.277591542557261	-0.303031590775183	-0.313291069950216	-0.254285648630671	-0.283307183393332	-0.307532978314175	-0.308927046818808	-0.255699340604921	-0.231727850094513	-0.291374438779248	0.54880456728308	3.04627188069	0.284390904878757	6.62336114178261	-0.0618124356520058	0.0147938968621339	0.536816673504632	0.357151383911578	1.00022267780655	5.06599466642351	1.06203293983471	-0.314580621567107	-0.159972638743306	-0.316938038968006	5.65541831627945	2.54537501109193	1.04274906966631	1.59094402692284	-0.063790161671983	0.288139365655261	-0.318116747668756	-0.31870610201871	-0.319000779193777	0.179607852516504	0.0060498915136985	-0.23976972383141	-0.31914811778134	-0.319221787075122	-0.312133015115448	-0.319258621722043	-0.319277039045444	-0.319286247707174	-0.0450295356590089	-0.262036636939024	-0.255743821512507	-0.319290852038069	-0.319293154203487	-0.296107528274963	-0.319294305286195	-0.31929488082752	-0.309535416392464	-0.319295168598242	-0.319295312483573	-0.319295384426239	-0.290858046686524	-0.202871493394816	-0.319295420397541	-0.00721878454291385	-0.319295438383223	-0.319295447376063	-0.31929545187089	-0.319295454119897	-0.218355222531264
Isocitric acid	-0.233760628089946	1.58275855726313	-0.363640495587133	-0.594163868535123	-0.3516854358174	-0.446829637882779	-0.46551063685914	-0.354932314082479	3.84903939501042	0.20217608907137	1.04776982317303	-0.854200754913253	0.94767280777103	-0.195043704340432	0.702127759916417	0.254083742290065	-0.288417638842116	1.05527430995435	-0.0133126391614229	0.123604505412676	-0.661353736464532	-0.609698478959072	0.365737699515617	-0.519685195452412	-0.649302832837426	-0.507849672648931	-0.259619358533564	-0.498505623868183	-0.719895045643978	-0.519434385496688	-0.569242365524917	0.0392726745385286	-0.292518497698136	0.242361245964671	0.806419422018225	0.645749777859799	-0.560928423184517	0.263001951053141	-0.5817166460291	-0.653755050946803	-0.725382725242992	-0.363159902744976	0.640911905472867	-0.788548451311111	-0.887026906703248	-0.523741341882953	1.51178321192996	-0.506386873919837	-0.492505515268354	-0.699546035809859	-0.748817658223802	-0.698576667182634	-0.0749347467817858	4.15118564415861	0.498305544278752	1.11769332108449	-0.747482699149716	1.40205622364014	-0.673661123909446	1.03411712791943	0.680341893584115	0.0117711223495352	2.30862083934122	0.417360494289954	-0.700448933442718	-0.668066482142084	-0.62902031380026	0.740276570919679	-0.732310695361322	-0.739173825208404	-0.324029248016187	-0.568792056464777	-0.422035185746676	-0.772287457469213	-0.184323841799025	-0.587531336625925	0.476453205711653	-0.226560617604598	0.775373254349962	2.09536528076007	1.70695312081256	-0.383873004231483	0.346769822408211	-0.53499286357581	-0.611956846627611	-0.690232813543781	0.0120815128410116	1.87009276138234	-0.830172036128704	-0.862393630061305	-0.790004899191016	1.42627895426321	-0.874457186899246	-0.64710906989124	-0.905440324642577	-0.916964974037261	-0.914076889581278	-0.384131561561802	4.05439762202279	0.319497959851857	0.92845952610538	-0.918409016265253	1.16243733124702	-0.891479814979304	0.865752703641738	0.384214362373066	-0.211780527394746	2.29528962912255	0.308483588095172	-0.874690159552751	-0.776812949116056	-0.909829870664646	0.530636113509825	-0.919131037379248	-0.839947773579158	-0.610733964880761	-0.919492047936246	-0.919672553214634	-0.421478199219143	-0.723776753897281	0.0657551003122962	-0.565409818434687	0.3756224918293	1.53780194196176	1.08692863501001	-0.729728116634605	0.0160688935693344	-0.823957565984725	-0.87913073199098	-0.91976280585405	-0.266057988116533	1.2581366975146	-0.919807932173536	0.0959252679759138
Erucic acid	-0.0463767432151386	-0.499906395036306	-0.623911742323898	-0.48781712062712	0.272668206584563	-0.629904827904137	-0.632901370694257	-0.634399642089317	1.48584889606925	0.188054802655599	-0.635148777786846	-0.635523345635611	1.54721491017267	-0.635710629559994	-0.4765271817092	-0.635804271522268	-0.635851092503239	-0.519751588645264	-0.277374411546393	-0.353226913319924	0.0354205206242372	-0.121021569582248	-0.0842066172093424	0.00585907275804536	-0.0864244737635668	-0.635874502993891	-0.506673463175837	-0.635886208239051	-0.330440663859123	-0.607951225473411	-0.607492087957889	-0.635892060861713	-0.635894987173045	-0.635896450328711	-0.568963424931847	-0.635897181906626	-0.635897547695501	-0.635897730589939	0.0418352005220608	-0.590317909986925	-0.611925571160097	-0.266652340224112	-0.429784016429512	-0.635897822037158	-0.635897867760684	0.889074160496704	-0.506078143192213	-0.548840477432761	-0.558107608918911	1.05228569519235	-0.51527004681246	-0.557195471171495	-0.513934752371249	3.57610502657072	1.0944179963861	-0.56084402216116	-0.540057625280414	3.83130612484415	-0.583144379650103	1.19574521535363	-0.53216810391316	-0.539244224081041	-0.421084771492256	0.883690667137228	-0.575546366223772	1.721512700434	1.60436882304654	1.63235358491008	1.34609278735522	1.50684531163992	-0.511786056747275	-0.448975498959451	-0.580925157913265	0.711983086344231	-0.561525774607661	-0.548548969491837	-0.56745937172721	-0.588781767092301	-0.575447629659118	-0.395648352666353	-0.539563942473754	-0.517088855414124	-0.515016022615053	2.37869192467847	-0.560003642122817	-0.492171975589794	1.22299471878154	-0.534657900342351	-0.562757888917385	-0.412667579246293	1.02773195442488	-0.523857035765945	-0.448157668279451	-0.397271895071809	1.20815527928858	-0.542113239204021	-0.539200130684267	-0.472254749474465	3.8691247496406	1.1446715253448	-0.482704573134852	-0.394600975960872	3.96660851568689	-0.533723737117218	1.11143055876196	-0.343559584725853	-0.422225508183731	-0.307067814772998	0.957083496215569	-0.317981353683532	2.07823687407987	1.61036612998371	1.88427923161043	0.349634509000773	0.622748305301962	-0.468005485294812	-0.551619613689897	0.106168531933054	-0.478586137502172	-0.504432073770334	-0.591977648826084	-0.443551663735321	-0.515488064025671	-0.461118905363377	-0.54242469646869	-0.504690341553634	-0.580652176290262	0.975236206918014	-0.528538184937795	-0.519937828091576	0.390318139567319	-0.575972836514853	-0.545516452218784	-0.593468910227275
Adipic acid	-0.541115733880951	0.774360246577548	-0.585598603775086	-0.503585017687633	-0.499366358428748	-0.516350063582142	-0.598148990560869	-0.327171439221107	-0.459297731829749	-0.472804093441368	-0.437437387439197	-0.168333217437291	0.873657986308892	0.315081026965082	-0.261264477293286	-0.226845191227813	2.68988156488022	-0.160166772213489	2.70409210226729	0.265545416815827	3.11428585424905	1.1204568151886	-0.130952315130399	4.89511492269632	0.25028648005535	-0.116640988768521	-0.0482618969468247	-0.0455832306469414	0.417699959349104	-0.307840294956709	5.06381147087103	0.0322980829395951	1.76349575603216	0.0107087733856487	0.0910146706498035	-0.078595339799373	3.28355588062744	-0.101669475962251	1.45649365021172	0.0876424273924188	0.575190634635866	-0.220807019592989	1.11365816123564	0.175742565881953	-0.644846795884931	-0.663205756186861	0.912238915002919	-0.655196641794946	-0.666703497756105	-0.649528872801572	-0.66517115383176	-0.683925711051395	-0.518099448457326	-0.58462792090659	-0.658780042351395	-0.665018871198072	-0.189768588094232	0.991787551960124	0.436598407699758	-0.679471444226948	-0.672775767486577	0.587672290776577	-0.618529840631007	0.583793842706004	-0.674507982370631	0.863689310087339	-0.0448669100702495	-0.636332631442593	1.72180191085225	-0.641610176218228	-0.621527904851636	-0.673356345006558	-0.634333921974454	-0.286858280172142	-0.670586704740143	1.47769761886948	-0.63394845657808	0.138804972674281	-0.662610902171469	-0.61217679981367	-0.636308837280504	0.322022714121348	-0.67436184663322	-0.182699685466556	-0.668198247982651	-0.452018347434898	-0.68034722885302	-0.295443438569521	-0.672562869395213	-0.680325015132361	-0.498981387957016	0.576447790935797	-0.616982488972017	-0.654520958954038	-0.685950854761706	-0.688747727985349	-0.690146164597171	-0.470784713773126	-0.373064263640645	-0.39013329228095	-0.672240629079271	-0.45332800840747	0.51107361541343	0.347203907633199	-0.690845382903174	-0.487122040104181	0.127762677639618	-0.691194992055991	0.413852296479144	-0.680357108314419	0.649349880608304	-0.28630713058701	-0.312113661541433	1.34150117810319	-0.455804930610114	-0.251437416862735	-0.549519262026141	-0.254117730455439	-0.471974926583206	1.01968286715722	-0.691369796632584	0.00641914625431734	-0.488375579101596	-0.535160121622471	-0.691457198920696	0.524638806359021	-0.609321248581166	-0.0934985939340025	-0.62436755166813	-0.336052029261476	-0.493957749764538	-0.144879674905804	-0.46011894146969	-0.375412067594865
Caproic acid	-0.36670484731442	1.06915602552883	0.130362341227136	-0.158782431672775	-0.749611381303779	-0.798555904377525	-0.800715650692534	0.417084480349364	0.905566503468213	-0.18480367390607	0.0531706848806232	2.12673069633856	-0.661624378243072	-0.801795523849926	-0.741944752532213	-0.466156866681471	-0.794236411747506	-0.802335460428735	-0.802605428718139	-0.688092728657228	-0.802740412862954	-0.802807904935249	-0.492457129321703	-0.802841650971283	-0.362382492799745	0.705492637552497	-0.104230690438827	-0.802858523989413	-0.802866960498591	-0.591867266587828	-0.802871178752955	-0.802873287880249	-0.802874342444009	-0.44452983322539	-0.651219076007814	-0.738474595841623	-0.328522454407633	0.666914544798513	-0.802874869725776	-0.510019027215707	-0.650164748671951	-0.80287513336666	-0.44714825289567	-0.802875265186989	-0.802875331097266	-0.230185981206676	1.52684073024865	0.910517834609489	0.162515332375793	-0.528607812900299	-0.70547923786817	-0.727295977516653	0.932334574415858	1.35620265892473	-0.0992855432706691	0.505349812566237	2.6200152204528	-0.558995414491516	-0.695350037322727	-0.256677736573063	0.379124390415799	-0.684441667487208	-0.763916933360816	-0.681324990394568	-0.687558344579849	-0.728854316051695	-0.742879362979855	0.376007713300604	-0.703920899310572	0.548983291953423	2.81324920069272	1.1014143066183	-0.742100193712333	-0.770929456813618	-0.116427267291469	-0.770150287546097	-0.608083078728796	-0.785733672998021	0.3105574943326	-0.0837021579202433	-0.187331671154677	0.813899382232618	4.01497135649862	-0.412129452251338	0.299332644600243	-0.428368244696829	-0.666875509740869	0.926556005091056	-0.36239815020376	0.237830354412293	-0.484548742319766	2.49413936837613	1.05321210441835	0.458003239069576	-0.642177756666013	-0.345778162967323	-0.722526576848056	2.65477098085984	2.34784212077117	0.00224180186640071	0.87856556466786	4.06541636442361	-0.470268941299373	-0.762700986916522	1.02994755975267	0.274959510033379	-0.240170286956177	-0.280464775653977	-0.46338468470861	-0.197946840051957	-0.0112121158643828	-0.782788191964288	0.322416149996311	-0.463541161310075	0.786347477523916	1.96597753360816	0.943902129756949	-0.61785094965957	0.0649013949818425	-0.792831794487044	-0.45483586977923	-0.797853595747294	0.619961935296946	0.0600278318643193	0.167288636952312	0.540299934727344	2.51774533300124	-0.30889185296525	-0.0154519537983497	-0.430387442627391	-0.400808410915253	0.632477614364995	-0.800364496377419	-0.801619946692481
Hydrocinnamic acid	0.0343336775192876	-0.606016085200688	0.0755059736065711	0.578088861347157	0.243683957790802	-0.576694765436226	-0.564733046008687	-0.0435977419109042	-0.262176518096259	-0.597956322424605	-0.246055654675894	-0.597535417990661	-0.606058640963519	-0.614617148697103	-0.614963944061106	-0.615137341743195	-0.615224040584152	-0.589496347382308	-0.494428619744536	-0.61342288681359	-0.61526739000463	-0.613923557969098	-0.534636050035083	-0.615289064714869	-0.5341271099636	-0.443997456385791	-0.507768537278345	-0.576335143195689	-0.615299902069989	-0.61530532074746	-0.569894570559391	-0.478922192487332	-0.615308030086284	-0.502192593202572	-0.499104328999456	-0.167722285572578	-0.37276852690865	-0.615309384755785	-0.552362406443772	-0.424850537301775	-0.578490529568203	-0.525715111912513	-0.483860069972523	-0.615310062090446	-0.609434548086274	2.16770592039261	0.128878417277363	1.79684876975021	3.77483606830996	2.73618031247837	-0.271841993931703	-0.184355839195731	1.42236183146741	1.19335516966228	0.0374737408759228	1.15746976011364	-0.305128805186051	-0.191945397302157	-0.323813966867674	-0.0962509707815967	-0.198751250934487	-0.104541737876025	-0.463684570489561	0.402844960728417	-0.393398664043614	-0.33870434958421	-0.236492802751383	-0.254641745712179	-0.13564242650402	0.336890052074134	0.920172330332813	0.924998299349012	-0.502498559871488	-0.529185755556604	-0.173260235444281	-0.0493936998293822	0.0236970431678341	-0.359905614779043	0.659075037239119	0.751758389268688	3.84161592918139	2.63517298362129	-0.148829416284699	0.550740156970179	2.04620347974914	1.40800500623033	-0.19800758228903	0.685726094168879	-0.284425000187611	-0.572248247490856	2.54329436831513	-0.438128477240192	1.51740198530286	4.6842280076189	2.93913560330593	-0.612420196602415	-0.523039976869926	0.886111948260401	0.822851206410858	-0.613865468013409	1.28522078984783	-0.614588103719347	-0.61494942157214	-0.48160332160641	-0.27680547011246	-0.615130080498624	-0.615220409961954	-0.615265574693443	-0.391795567247662	-0.615288157059364	-0.615299448242236	-0.389833466541325	-0.615305093833584	-0.585423965039895	-0.432754076063829	-0.341502262325351	-0.270793577458475	-0.615307916629346	-0.568271133553209	-0.615309328027227	-0.495149722071363	-0.615310033726256	-0.409652671137409	-0.369198131710625	0.438382064736747	-0.0168631571822683	-0.615310386575594	-0.488760752930326	-0.183536257930849	-0.200947454517278	-0.609529653777959	-0.479210402847646	-0.615310563000439	-0.615310651212686
3-Methylindole	-0.0234130087997754	0.0684575079442055	0.372064803799421	-0.180001035067233	0.547688498489636	0.134947919615832	0.0944461479123047	0.205920754611707	0.589330100482928	0.638432018703371	0.0264287781638132	-0.223204127662999	0.281551154728384	0.0885130690677795	-0.304143209077803	0.404500373270904	-0.180502202938908	1.22267358490436	0.0921055081208875	-0.335879468447332	0.0177885657838501	-0.256721093075354	-0.320362418606268	-0.0557977487891182	0.658775179068012	7.73783160972128	-0.0890717073545884	-0.0475971765963114	0.113517400389231	-0.129332354712627	-0.105789616975121	-0.359320431262138	-0.330734612965146	0.133465221432903	0.29395136100794	0.11853532619395	0.138807066783403	0.328229939068454	-0.0104589521094747	0.446797777694995	0.163080358396034	-0.152505159675784	-0.0626379316397017	-0.419488831495244	-0.220683916349519	-0.358148499865234	-0.246494331185443	-0.310357921742304	-0.42600718363493	-0.33090080656062	-0.312870777355885	-0.346313760143928	-0.360163416415089	-0.229958119477439	-0.295674506825035	-0.3578937403013	-0.390618764251337	-0.274807382599591	-0.350505712961091	-0.45712259033569	-0.25881543004522	-0.427848400486522	0.0751511979083694	-0.311620139622833	-0.399940648289618	-0.301047617615389	-0.433221511276875	-0.405255859175921	-0.433256251219306	-0.245510032816581	2.09879905132183	-0.347969697302558	-0.415399921810056	-0.359225438025023	-0.453416996684775	-0.428543199293464	-0.439405220682273	-0.445160470825472	-0.355786183918853	-0.323501199267379	-0.375576370012286	-0.284038317500978	-0.113562480795176	-0.337786361805964	-0.0970075506010673	-0.176364696120457	-0.356893325462151	-0.217840788129892	-0.382813109004186	-0.116833725582302	-0.230962104666458	-0.0756384535033507	-0.164263805479546	-0.413991015223518	-0.165494728475755	-0.169224250408304	-0.126683989137439	-0.243524240649436	0.0662177478109358	-0.144100431914906	-0.185971220605944	-0.330891266970212	-0.028487889646734	-0.243097551166329	-0.446824123475934	-0.0476222168926595	-0.349786771094578	0.63173959860126	-0.169086814056379	-0.366597051478058	-0.221953787707946	-0.393203971738019	-0.309049254243995	-0.331802138340175	0.221271621690638	7.44726632895493	-0.014843474527784	-0.0170256535072394	-0.254869008785148	-0.319407948176193	-0.404453505636436	-0.279441673258689	-0.122640764472243	-0.0796171949262809	-0.297947657399735	-0.259230465214129	0.0437884733991944	-0.234966459858383	0.134029301573457	-0.0503227107009511	-0.326126418158734	0.0157612885859395	-0.321878651952957	0.588287488876374
Putrescine	-0.638299029983208	-0.611613205299374	-0.638439410997042	3.99274595986226	0.0733650481490933	-0.638509601504054	0.695715532278361	3.254323464983	0.439304568452736	2.63838833799447	0.77666344558927	-0.613074692373137	0.622551087137355	-0.570402593689829	-0.638544696757561	-0.638562244384409	-0.133386062428969	-0.638571018197738	-0.638575405104307	-0.638577598557783	-0.638578695284425	0.612893798492008	-0.63857924364765	0.520893599211663	-0.394492998207434	-0.638579517829454	-0.63857965492026	-0.638579723465664	-0.638018267955158	-0.0352659651396854	-0.548664442526851	-0.63857975773827	-0.0223151086125952	-0.638579774879348	-0.638579783435658	3.49059915297081	-0.638579787732912	-0.638579789871989	3.19303131278713	-0.638579790939618	1.42076451239809	-0.638579791476298	-0.638579791743682	0.316235776173922	-0.638579791877184	-0.618070110641041	-0.582814604797765	-0.591326088340321	-0.360217496515521	-0.562236489371163	-0.550600991967152	-0.481203744236247	-0.337694143613254	-0.519042635046817	-0.386795566219494	-0.501922149440633	-0.601719507961253	-0.564835271991637	-0.604925642671501	-0.40238655113867	-0.410704708480948	-0.593182361637931	-0.520197459455509	-0.459889962911538	-0.492031720001845	-0.311519834537499	-0.594518536239254	-0.49080675071381	-0.593131036114598	-0.600742612061461	-0.446839591683844	-0.529882586762766	-0.607664715069758	-0.598468891133329	-0.571832652443068	-0.601716086258424	-0.562156079383334	-0.559996985471319	-0.596236230620044	-0.397442191792461	-0.619469586735147	-0.330844483063678	-0.15631604270535	-0.538254440337468	-0.209592481542902	-0.467732891917779	-0.584442674904087	-0.594437358265287	-0.563840469205203	0.0258304664259674	-0.628293872112536	-0.496096232728295	-0.462796776423661	0.0993189690197013	-0.380042930598845	-0.362259884132545	-0.20616081252259	0.236131267718335	-0.346102590082041	0.0333891169722805	-0.0956688512304988	-0.633436832062756	-0.493851690326774	-0.618007952217824	-0.226827139382037	-0.100232954590996	-0.499396618843337	-0.459104414068718	0.0817966646475404	-0.338078301123628	0.0808044143726914	-0.476653010492423	-0.339406476338866	-0.0537901022811573	1.03753194450476	2.22122839430419	1.18953521794666	0.604864195071815	0.678333694826343	1.18883455201743	1.27021056885007	1.90264786629608	1.65843252214415	2.95508274201144	-0.029611365773296	1.37441088139489	1.91321483873269	-0.441334616208419	2.4826510894424	1.17969814307996	0.832669904306181	0.184062132463168	-0.177712090469818	2.47181998294582
Fumaric acid	-0.097135286204449	2.0266966601788	-0.00858914676313091	-0.139702929832475	0.0141063826198701	-0.333790788894981	-0.0553529843711663	4.24040814646295	4.02642292550298	-0.205984897626242	0.943597338966175	-0.168739685185097	-0.132313828252673	-0.450493197564136	-0.213321476714222	0.0827399981833307	-0.162553108425685	2.82243689481785	-0.260936306036202	-0.41646334408349	-0.122233783878984	-0.181364759306405	1.61372930159604	-0.132527022370269	0.0697117393936984	2.39037723532951	-0.215990035308667	0.0656389020243691	-0.406343765556546	-0.103302394429886	-0.345437833604433	-0.451786345244935	-0.234807174781225	0.962082752055727	2.83538044332147	-0.129642835604021	-0.00314555557221148	0.0975352908516086	-0.172368254690784	0.044284250749457	-0.0756470477084612	-0.331456679964485	0.0542153773685732	0.479583283033322	-0.547854305546947	-0.492643272097571	0.652321418291223	-0.490964044639219	-0.559640316358138	-0.501170168687882	-0.616885453941691	-0.497343732348358	1.9479623574688	1.85418025935152	-0.583521132344816	0.0490865006124135	-0.692182286139241	-0.617491076937792	-0.677674862486802	-0.489842265640402	-0.448591080934714	-0.632452717853556	1.12892607251858	-0.585441232550995	-0.657159383388251	-0.645776423832782	-0.622797160271341	0.622900528237921	-0.458597624670703	-0.504914019897118	0.901211824771216	-0.585998680988865	-0.435184790020185	-0.695967429891956	-0.399948542797027	-0.6903310067522	-0.698685851311997	-0.630202277841169	0.216713312035553	1.24207434217828	-0.498961021088984	-0.309474804226067	-0.241978184237421	-0.394511859033816	-0.362915386415021	-0.362411974825493	-0.636139492950591	-0.296218302212704	0.282586436499506	-0.64578947473965	-0.690241425541335	1.08914462888873	-0.63510695844639	-0.671895130099665	-0.711489753207787	-0.644553477113438	-0.321333265229454	2.82282933108409	2.56093848725988	-0.714719272570575	-0.0529151790985427	-0.716334032252185	-0.717141412092665	-0.717545102013014	-0.717746946973188	-0.634135859253742	-0.477493067677956	1.8053288542315	-0.717847869453275	-0.717898330693319	-0.717923561313449	-0.717936176623405	1.08529177130784	-0.680437197011361	-0.598901978208585	1.6575377536983	-0.717942484278275	-0.717945638105819	-0.681296648314827	-0.71794721501959	-0.717948003476585	-0.717948397704973	0.59352216296398	2.42842393123364	-0.582871727808781	-0.539296513670148	-0.717948594819168	-0.717948693376157	-0.705030714482212	-0.717948742654759	-0.519138400937154	-0.350772386316273	0.648162470431848	0.0965828981942301
Malonic acid	-0.569694783792174	0.621978157686721	-0.563457781409255	-0.379245755755764	-0.263784912708542	-0.186512434773589	-0.497851352061242	0.00967238070189067	3.64699268051647	-0.394413937278638	-0.555345243806404	-0.605754457462273	-0.161644349278226	0.235715081933524	-0.329325873439089	-0.341896381763729	-0.435504430044698	7.15471876003548	-0.281023253676898	-0.130553514261126	1.43127424591461	-0.101331690279559	0.859604343666276	-0.623784294294762	-0.225524576527181	0.231683536583539	0.417621253577461	-0.540309411560129	-0.632799212712287	0.198933435367187	-0.430648514408159	-0.637306671923609	-0.473395451107601	0.291738635823475	0.218501293370192	-0.296222945088014	0.530158661481754	1.29854862445089	-0.437608028040681	0.45932610749355	0.00471134398739649	-0.386594764169774	0.716166635496869	-0.0217727866174391	-0.201310662428943	-0.475131616007668	0.659803833489339	-0.32667454570364	-0.357608921118076	-0.455719073398441	-0.406070448248791	-0.54405312521222	-0.337358426901324	2.42857974884774	-0.432954724896671	-0.402928130213334	-0.459420025779186	-0.329397887768947	-0.531902828758963	-0.450691364546829	-0.333098840226486	-0.426320942337554	3.81099020045713	-0.495801085836198	-0.533858048877878	0.251023170235371	-0.457464805660271	0.371897671017504	-0.530366584379816	-0.337428256178486	-0.131571509475115	-0.326814204257964	-0.498454598854725	-0.559345739700935	-0.416265524583134	-0.487072424603841	-0.517867141463953	-0.542516880833073	-0.122144555266351	-0.255239181855698	-0.324789154708299	-0.398656324445317	0.572217981578067	-0.401748504659929	-0.405894837207052	-0.353679157857193	-0.532603948583299	-0.224510357798949	-0.509061212969527	-0.112720373330395	-0.320792906560303	0.902636615303011	-0.0991525317995483	-0.182593705312072	-0.401999195223243	-0.190401826779703	-0.508612209573139	-0.0912678321191509	2.52616418942947	-0.435960669252302	-0.285801365438673	-0.281805392214131	-0.31375807053156	-0.298462612325776	-0.402905544381334	-0.112742264558308	-0.214904099486854	4.01763490875054	-0.321588141590742	-0.301073506603105	0.393967450706134	-0.463490394621216	0.531613088462096	-0.516606300245971	-0.396197621571243	0.314175209986949	-0.110230047834105	-0.470691716255308	-0.207818130767619	-0.28195187368253	-0.168806334844182	-0.367654823500448	0.165822472544585	-0.124103808005479	0.0240286051672818	-0.255964772683142	1.1537401538323	0.0192287767565462	-0.213155466014652	-0.194696782331173	-0.549965322660518	0.106430302319256	-0.559638008494412	-0.482683494533354
Pentadecanoic acid	-0.0915980318438162	1.2137915218077	-0.237916215040253	3.12904021585678	1.16644930508546	1.009798831998	0.433360543849625	2.63902480354584	3.64674268179884	0.835565430641906	-0.0625306053473323	1.62269218613158	1.58890824179158	-0.0419965453388852	0.416030681520018	0.548400713529228	-0.180148632609946	1.34915819610308	-0.211123701213058	-0.240112644314131	-0.084863549398409	-0.304307607480985	0.79467603427668	0.180198056157848	0.462599811070628	-0.220963567180656	0.199755245350229	0.394760904994953	0.312104897859514	0.982095189976252	0.306964564889089	0.217370005588234	0.392955779769997	-0.124438713686776	-0.0585334649120069	1.04183646545743	0.351524304119087	0.00544375338047217	-0.0403987595951211	2.72944092200314	-0.333680389855189	0.417350449715556	0.264190780112231	1.32004184782997	3.78023020859865	-0.620694210669508	-0.547363305713622	-0.626618620309483	-0.414555974577523	-0.567924492104639	-0.573986847558271	-0.609502449091956	-0.448309136842688	-0.39982118370886	-0.571202520215176	-0.625308135086875	-0.505209969472846	-0.512816955032053	-0.622828740611833	-0.583637609209584	-0.546070971253642	-0.630270554190623	-0.523451488138739	-0.631913198408115	-0.621658016282567	-0.603877527075275	-0.616330766806641	-0.527295820118568	-0.586576218026461	-0.54718179805882	-0.628734999486328	-0.629141576617113	-0.591048566482209	-0.617584984655976	-0.542350064458543	-0.602623309205975	-0.622393122257421	-0.612896642114116	-0.619795747811037	-0.627486226867494	-0.51702793245804	-0.484718681870993	-0.548554816699649	-0.599981002217102	0.00324962297916344	-0.578894986783874	-0.406553533393781	-0.406738332172737	-0.304113405799826	0.37482872661839	-0.63855081572439	-0.477098000992373	-0.640811552171801	-0.110549059394168	-0.419715251940712	-0.564718475464271	-0.641941920395791	-0.150391336987936	-0.112546803044498	-0.642507104507929	-0.634029342828999	-0.361675207190593	-0.31887660029439	-0.642789696563855	-0.523177263017201	-0.502432888056296	-0.642930992591818	-0.437449362112683	-0.6430016406058	-0.643036964612791	-0.607971411312882	-0.643054626616286	-0.448486845139957	-0.452946264234391	-0.237915231031524	-0.643063457618034	-0.643067873118765	-0.643070080869273	0.591171623574496	-0.520754046342118	-0.643071184744527	0.189817323055315	-0.501083401542149	-0.643071736682154	0.283885702290016	-0.643072012650968	-0.643072150635517	-0.26535458142856	2.14824837428512	-0.643072219627649	-0.159320125244904	0.92506551854464	1.09795395737386	5.60061097154051
Pipecolic acid	-0.305350108195732	-0.392606258935237	-0.331947808553529	0.11434625823732	-0.416583487862652	-0.518382130235929	-0.564854652242925	-0.449262008660462	-0.612251571254444	-0.592637626655805	-0.112770900288994	-0.328833861446069	-0.195510967236515	-0.132270984437139	0.0609713788486038	3.11012487211352	2.87778798991104	0.127229900741789	-0.0199191383866302	0.993480238846451	1.72214291772978	3.74425754977741	-0.125656285460979	2.82027904783117	-0.622058543559406	0.460334611611658	-0.479840308294684	1.5431349944844	2.26954856698037	1.51186982677959	2.62575165500508	3.0606565787649	1.37393515779605	-0.626962029711887	3.34900419705514	2.00516718103852	0.0380490528668618	1.5689978993806	4.36029720554547	1.79560826102205	-0.121848435909733	0.471919472821635	-0.0384876151072829	-0.629413772788127	0.198556729465719	-0.617979884706336	-0.403313681380613	-0.584445879961609	-0.017055501473267	-0.558110632779636	-0.610423680182538	-0.555506376366896	-0.573189414415452	-0.621962865103618	-0.59581941871267	-0.222690875968488	-0.537267863259432	-0.251407442226706	-0.271288716626422	-0.424170150970215	-0.187105598817419	-0.113459070860365	-0.623028978679917	-0.60543685919551	-0.584538043967377	-0.22433612817219	-0.199576387673321	-0.455249354468803	-0.367842986664058	-0.588787552781304	-0.62846291972795	-0.62519358778857	-0.191673945425421	-0.143165777523259	-0.400755506970757	-0.178132060978477	-0.262803399067967	-0.43828370125943	-0.628596183924988	-0.139622444418778	-0.361878479730862	-0.61242344521655	-0.412820979969772	-0.0322996044777017	-0.362602077121902	-0.58113305696843	-0.500718564190509	-0.600191572189354	-0.623234981297117	-0.331201117136219	-0.596446830307953	-0.440905826206779	-0.520628906803484	-0.0328199621201237	-0.560027351053863	-0.62590091780577	-0.589495100026792	-0.604399864033257	-0.559626094452765	-0.550535162692644	-0.167391653507444	-0.40562939349654	-0.255968166180734	-0.318111155154882	-0.440372636753586	-0.266294043634352	-0.0971261053506186	-0.61993631974435	-0.58457418590986	-0.554760294135594	-0.272324517064126	-0.13455978454173	-0.490620803720224	-0.217654765745295	-0.537521143746659	-0.628883216835069	-0.408930448448113	-0.119310490774852	-0.390322182652987	-0.0395736191526193	-0.205353700630562	-0.303214825898994	-0.630374366349436	0.0258639204224739	-0.12426072673271	-0.317536421038514	-0.429377208920818	0.237807014702544	-0.195469711127708	-0.363091576740965	-0.327126538737585	-0.465974714568675	-0.474761233996174	-0.133295266962591
Nonadecanoic acid	-0.599019112498235	-0.151258172851696	-0.615462494034948	-0.551724972808182	-0.132451077754857	-0.505290796318627	-0.472012699622349	-0.623684184806144	0.480646283259119	-0.182080798851014	-0.495505710713135	-0.627795030191743	-0.166385186744648	-0.334908800428708	0.128410807037835	3.90381885772306	-0.101985974447651	2.03135492998202	1.2953645934849	0.301487025839355	-0.177461255219306	0.440438750494853	3.80598568916115	-0.629850452884542	-0.630878164230941	1.3591461508123	-0.631392019904283	1.34204695830203	-0.63164894774067	0.166223199000338	4.41696898308363	1.99276720656334	-0.631777411659005	-0.631841643618173	0.333011486914721	1.54690402006146	2.82105379412513	2.06574120169427	1.44044139355938	-0.631873759597899	3.94597075767543	1.11533842993359	3.59681526623943	1.57610776032627	-0.566132349419128	-0.565771444441655	-0.31653904341485	-0.497939279955735	-0.410017270763838	-0.17153718080371	-0.353297542790908	-0.265375533485406	-0.510080645767595	0.455749570377161	-0.0469081186793969	-0.465708069437898	-0.457811037015825	-0.0293648740129722	-0.327780096036947	-0.119319018637589	0.0247825307837876	-0.591700462943566	-0.388949943231035	-0.104528159984096	-0.389978872529905	-0.321400734185149	-0.198778084214931	0.00103998696032017	-0.523405280266054	-0.388975666452857	-0.109518467005508	-0.501360469906426	-0.266095783980414	-0.474942709962702	-0.0824576262890416	0.086003824279512	-0.249169896921712	-0.513939130659655	-0.54303210678044	-0.301465228895303	-0.0347924762313648	-0.130093466747616	-0.327110900331313	-0.255683844131043	-0.594325404118023	-0.0273017623062105	-0.170287658841626	0.00202023028230468	-0.365833501953585	-0.498882832543535	-0.612922242989415	-0.530837718251414	-0.622414059284798	-0.627159967431069	-0.395557771019286	-0.34308213195754	-0.300643784480256	-0.324164599729526	-0.00460529863158797	-0.517151665648748	-0.629532921503921	-0.630719398540489	-0.266959957052475	-0.537544295429282	-0.443550033675441	-0.521231194728284	-0.631312637059057	-0.631609256318199	-0.299187998749307	-0.631757565947628	-0.470432749008314	-0.527787293877329	0.0893739757431896	-0.267572394698713	-0.589922939593246	-0.491152783409748	-0.443816322564888	-0.631831720762484	-0.404500223202601	0.12436408489653	-0.401639368639516	-0.631868798169913	-0.631887336873627	0.0399073288053835	0.200161949902644	-0.345633367292098	-0.471230504673635	-0.353982814043962	-0.535216124922849	0.114509830335555	-0.238338431164182	0.10313622617479	-0.182701462088923	-0.611753307397721
Butyric acid	-0.551655220383193	-0.0946983706505243	-0.555736264911358	-0.557776787177101	-0.0758384564634261	0.470608233113581	-0.558797048309695	-0.559307178876131	-0.55956224415921	-0.55968977680075	-0.559753543121382	-0.518113957986074	2.57353758215662	0.449268351882975	-0.559785426281974	-0.559801367861994	-0.559809338652142	-0.559813324047216	1.51703381443122	-0.559815316744753	-0.559816313093521	-0.559816811267906	-0.279124837471598	-0.559817060355098	-0.296715994966053	1.37806987792531	-0.54349313132133	-0.178471408190702	0.0160225561998788	-0.559817184898694	3.50526440514559	0.0856821580294711	-0.55981724717063	-0.559817278306322	2.37461779309605	0.00366904970079641	-0.559817293868635	-0.559817301669293	-0.559817305541961	-0.559817307497658	5.99363714210199	-0.117458740423987	-0.40194603257224	-0.408938149994676	0.780993623382594	-0.502058372644921	-0.353057435436927	-0.520722014107849	-0.413992997845208	-0.311174863689312	-0.113141048922532	-0.368051726549719	-0.469452552369454	-0.497202618314069	-0.537605083493699	-0.519732700039419	-0.547618989890336	0.417532225678383	0.0164532952758563	-0.501414932049742	-0.527322593777629	-0.453659274234015	-0.52963356957175	0.100316017704211	-0.524066745787061	-0.366399649378775	-0.531681758834597	-0.552344317067087	-0.535253530365021	-0.504917142451413	-0.0879135405924866	-0.498192898502334	-0.550681612492213	-0.443110133479671	-0.550243956959749	0.0946409875852342	-0.420524016389001	-0.542580637563658	-0.512025904943736	0.0993730777197721	-0.383261463962298	-0.375869168977191	-0.266353103101367	-0.50219454594376	-0.458906750850119	1.89557739556171	-0.123473015918533	-0.274660633285937	-0.488781798200219	0.314154930982744	-0.390171465846015	-0.0332017541895036	-0.466408756119846	-0.216195222369368	0.0366078042319671	0.457988107304436	-0.109835472924491	-0.154037133593494	-0.366747498714524	-0.403735465616296	-0.416713713453696	-0.380009764870816	1.44006269647647	0.770384939926499	-0.553425629129124	-0.437973176590969	-0.265619795021749	-0.476853262079622	0.890417631587007	-0.28120575768829	-0.128913432386037	-0.417368928202139	-0.406320340975329	-0.172320653262969	0.126775215409211	1.77120129401646	-0.141849930491424	0.259353296209701	-0.0125153509820444	2.61502903492522	0.0719296225433104	-0.211562280262083	-0.0286765231300262	2.34469363230311	0.10992859941264	-0.286358879505074	0.369779682095698	-0.241913693623989	-0.267793632144068	4.95059449303434	0.678313502014824	0.362014970403585	0.0381810827760418	0.321569509848517
Indoleacetic acid	-0.665719964400022	1.45648314677744	2.72276386591921	0.437383950732598	0.219197828213337	-1.44436888197767	-1.44378627978443	0.386757965488212	1.67968828031745	-1.00031868088613	-0.990837693663082	-1.44466018307429	2.28605173390387	0.656928057046739	-0.356694581722087	-1.21628583822036	-0.722956435880169	0.655306327537233	-0.151174393758851	-1.4448058336226	-0.399423963410231	-0.598562492892323	0.353260986861688	-0.642475069382987	-0.495356526532289	-1.06646864423176	-0.219014003119881	-1.05212457531618	-1.1104071522419	-0.550712014122285	-0.71646751429945	-0.916437504946154	-0.20587861679522	-0.456546648997022	-0.758324120148871	-0.011747318070224	0.172685119745364	-1.44487865889713	-0.865971825375674	-0.788160672069081	0.99639733059605	-1.24110343382225	0.791917075908349	-1.4332927842346	-0.271479318877923	-0.216884404133128	0.0193258032140286	-0.145815520660325	-0.30238095746043	-0.221101722677043	-0.796130109087867	-1.01567282724284	-0.280386328467152	-0.0460123694343927	-0.772319409810741	-0.422403024211404	-0.645497168397431	0.585536159091574	-0.451460148752982	-0.328895583001006	-0.634197175520151	-0.6783882190938	0.821484046005475	-0.533788668287452	-1.0333492446723	-0.172955681747249	-0.760010489073441	-0.253992773373413	-0.713357661412693	-0.404161606987177	-0.461327463735537	-0.239423854287011	-0.710532663193372	-0.914679141203956	-0.318523804427973	-0.417499634520464	-0.799540285434309	-0.779543333828716	-0.580179174534074	0.150365363623964	-0.324113265265936	0.664357756836035	0.0324663798566096	1.49891073249181	0.387799136925064	1.93745928560578	-0.11567602658056	2.49972111863192	-0.158307247956091	-0.410517894101787	1.31253432783618	1.8154960278804	0.351060874550144	0.754095702305677	1.83345332895778	0.125656529591102	-1.31279168150133	0.445167126338037	1.59149110324473	-0.76032386144056	-0.224510200456295	-0.470107813420864	2.62782689691982	-0.510299348455775	0.625879317203579	-0.727998474588791	0.222245101665548	3.79957774107318	-1.16483552561247	-0.50516212132351	1.57295489044935	-0.373096709931057	1.24439223815505	-0.166123925596171	-0.493379010877599	1.0639479096453	0.404817620480042	-1.18063187883175	0.964476314781245	0.31168813763207	0.232210566397488	-0.725647245706973	0.0723856869041719	1.35679438475613	0.00620250273214239	0.711402432524203	0.504958109926584	0.855317012268355	-0.320143048560647	2.12164819044504	1.02352202107989	1.94665174079965	0.578187118608326	0.232228947170108
Arachidonic acid	-0.745223107220609	-0.276152820064886	-0.651007209991773	0.149965729697423	0.266885646877683	0.26073192124389	0.0946187550043697	0.322807002373121	-0.632527444088796	0.590198972274932	-0.660071075518086	-0.194928033001231	0.0950544282956349	-0.258513032681948	-0.464122012327257	-0.272665778543153	1.60112901882096	0.279433387928663	-0.237086274604245	0.582027861884846	-0.177282199533288	0.247382168278062	2.73868937409717	1.61048390275401	2.73825509967459	2.04780805540857	-0.144558248112904	2.12567770567863	0.848265152940051	2.054692767649	3.21168180567922	0.0669976202504803	0.591202552851476	3.08775259786657	3.51656947466886	0.13054949292085	2.32660317068572	1.76438725085283	2.84747766347898	0.155152293742074	-0.142137579465593	2.01980441596279	-0.152655675889635	1.24249380492503	0.12904212123751	-0.967630333386093	-0.519710504563213	-0.948970491089091	-0.0800280419917306	0.0177849281434757	0.118829576729666	-0.187347916001815	0.0553568485322821	-0.877886107606841	0.381123691449555	-0.974655297142374	-0.346314721564976	-0.232318274977774	-0.56918068735753	-1.13602460985152	-1.08106935363671	-0.190484832006256	-0.708374191638207	-1.06963096788219	-0.673946155487814	-1.12767297170729	-0.89449601500011	0.493889619646707	-0.181659381697481	0.449089275026811	0.0936213704890075	-1.06658463367023	0.0648358806983474	-0.600643215683584	0.141447144959803	0.677911339438041	-0.880740129823006	-0.572753789299072	0.627683057753088	0.783206363286837	-0.91120765273304	0.0652932698581276	-0.370394143709163	0.140098495789925	-0.988069195395695	-1.10028435524406	-0.125545604723638	-0.990712851756731	-0.488521767221456	-0.819579184569935	-1.06023264232732	-0.539493773262326	-0.867161346944195	-0.295429114072021	-0.17357036622078	0.0423096725006973	-0.288360700104372	-0.0468985679450529	-0.955921487345455	0.411939945234789	-0.941324447289728	-0.305980529748599	-0.310217523727794	-0.55821353704052	-1.07961596349178	-1.03192990968934	-0.223775904700416	-0.820001487144292	-1.10605347672402	-0.859594874027352	-1.04200777995446	-0.830757970085888	0.24161555433159	0.0792159529476955	0.598147860920525	-0.107314376066633	-0.782273985083997	-0.703667557218132	0.00502631172739527	0.648773597195235	-0.878602034969348	-0.65875565990981	0.509063199480037	0.783855078417231	-0.936595476440626	0.429077801897218	-0.308715455747391	0.197285282083959	-0.996196839554232	-0.906553426601301	0.05084550177167	-1.00784060043395	0.00258096313697214	-0.539304116117521
Isobutyric acid	1.3875636123618	-0.193244672608112	0.124728331156784	1.6581531259822	2.28423402941597	0.740868648481812	0.785920691221453	0.597114632800636	1.40791105469536	0.214347323073484	-0.895557712127336	-0.0727631525441692	0.995662540674638	1.0775535414952	-0.709067805250477	-0.865952023047419	-0.326414591434129	-0.785627301527633	-0.490787297319135	-0.628978919028825	-0.960407373553714	-0.65184974246822	-0.442794573830572	-0.623996886746491	-0.468330056548618	-0.468860036374226	-0.829201084272974	-1.05708784776837	-1.28729424952566	0.171024104018474	-0.540951134679325	-1.09565709096335	-1.03876313398704	-0.121982450412504	-0.563876371364813	0.720805832058284	-0.255429250742234	-1.07565412575652	0.135469870754573	0.341312487533452	0.640369833845663	-0.655460562002458	-0.460009660971372	-1.23725220698285	-1.10484699870732	1.76044325479911	-0.712102878910455	-0.0538804649765427	1.67782956484943	3.32474876450072	-0.231484206340545	-0.852852127679746	-0.544933725453918	0.70099918058044	-0.398182626848729	-0.574433010279398	0.377899630022715	1.02437332603581	0.0753554325397549	-0.468263043189066	-0.523809569824498	0.567526683817881	-0.926678796086892	0.268101094005837	-0.826471450525181	-0.952294531706579	0.0514657182729133	-0.837023721340531	0.258764883752457	-0.0972467678107287	-0.200886543396222	-0.0868710224416402	-0.898081749702896	-1.10161504888453	0.0952046852237467	0.262138472787054	-0.635137988678754	-0.871171497603819	0.266531982628802	0.271690435012403	2.84903356333802	-0.269290810098628	-0.918278214223223	2.12293273354573	1.16280126220844	2.29490353007826	0.260015564320391	-0.939189685588896	-0.951186616689844	-0.0143255525827269	1.95490293123206	-0.782384324949869	-0.365476820778148	2.55541041767984	3.95378238744747	0.489512409023274	-0.847755786317911	-0.917799314868889	-0.0130896698882114	-0.727237906428938	-0.966646737158848	0.376519805786033	1.78069153650853	0.533578763431571	-0.237610459320415	-0.5522530259943	0.282444028866165	-0.807269013399527	0.292896632704268	-0.820063704719361	-0.417130975332075	0.338017941327325	-0.420506705348776	-0.000290947805505662	-0.609499226114888	-0.105588789321181	-0.313886083911223	-1.07400813251769	0.310092676413431	-0.245618020541422	-0.0631716998884082	-1.12321671966604	0.177068305640753	9.7478638453041e-06	1.93584631288089	-0.683454894735687	-0.977129585467561	1.21952532125549	0.263669901639693	1.14989087210723	-0.251991017835877	-1.00227816266499	-0.686149961382393	-0.764361763929588
Propionic acid	-0.309601927616693	0.387557595755836	-1.17265258292755	-0.612109382515768	0.116330891153454	-0.595887193976303	0.22204525186759	0.212600500897923	1.32086626208362	0.0748750144940076	-0.084776912595326	1.38878566778598	1.43866371085395	0.0032656234072159	-1.28134905487547	-0.252471774187079	0.4277101466365	0.373876409242887	-0.925266443054032	-0.511731258649517	-0.263289304296389	2.00625429908795	0.62251343076412	-0.382597640278642	-1.40256464669805	-0.845945163944708	-0.419047859036879	-0.160255957872602	-0.973002635156655	0.369504825274661	0.57865657891256	0.355138545972751	-0.992975770348101	-0.422555111241952	1.1662586112845	0.82889342732458	-0.428338096381466	-1.13327174843132	0.998550563325569	-0.358964051337003	0.555066300083934	0.224621572959333	-0.719978963787369	-0.642109393240767	0.435721182515344	-1.09958999507629	-0.603878923847958	-1.35085765268171	-0.956599217394001	-0.875541419854361	-1.06587179361888	-0.893474111341994	-0.992938741426314	0.160297577794025	-0.716981882475259	-0.995925829967317	-0.400374202811216	-0.00406002736057635	-0.884573806622268	-1.2986411773247	-0.622858112207951	-0.670986814833791	-0.162694072540714	-1.02065567200621	-0.933396786961055	-0.779209507256977	1.08799855115294	-0.375305688510662	-0.88651101145264	-1.36046578219427	-0.981704985458475	-0.889874026110289	-0.841823218396954	-0.995072376137487	-0.2636014460062	-0.155737745690439	-0.820872957825609	-1.0951669364664	-0.94553479751146	0.0823487906019543	0.0790162568512778	-0.526934835840552	-0.794441913234312	1.27807156300132	0.196730411128524	1.16377169521925	0.912868856037456	-0.69881756971623	-0.901933703538253	0.120130751395969	-1.49023418955802	0.71189229762179	0.0614337652239845	-0.123920667228762	1.03215961626788	-0.626623299954349	1.76120167184108	0.0300960011918173	1.1457118862414	-1.24450474814753	0.427538814018648	1.001762993677	2.09758132966706	0.976383720960259	-0.430974177761405	-1.40317112560787	0.811920585709855	0.953102555894562	-0.578149227976873	0.95265434234984	0.313201597308612	2.18494155130648	1.62149342116181	-1.20077966835524	-0.590442159581963	0.467381134666345	0.558348986088314	0.473027202877803	1.3991246966858	0.577382115614524	0.489529169155877	-0.540637488447909	-0.276130212327688	1.68130204358507	2.46358765373345	-0.898624122444538	-0.740747436263044	2.20909440900591	2.61863963410934	3.01594403288189	2.23023168204238	-0.848799870921221	-0.110783043169529	1.4025132761396
Methylsuccinic acid	-0.203277609695794	0.320362906354616	1.13681634900176	0.528843686471058	0.988940468671313	0.132446729131247	-0.492736498449431	0.509823024142633	0.11849335265591	-0.158305606614523	3.73672144454587	-0.335466213256577	1.99773808416586	0.00770935984976854	0.0680758642692083	0.64837691931569	1.24612152049903	0.691687341735887	0.107563229805439	0.245460591267519	1.43673682059218	0.662830748970433	2.37805302088205	0.240538535231639	0.540283523443807	2.50748115690184	0.414807993469472	0.661952181665403	0.139349424882897	1.96484898287096	-0.30848901032521	0.00747248165214323	0.0608628853907039	1.73290051245296	1.33718502668031	0.481689692078947	1.28238900971188	1.36365089503023	2.06212946785825	1.68127937992744	2.41154244728639	1.12218637281549	0.864879758230687	0.593923437476723	3.22314852845789	-1.05292304387817	-0.971959646615106	-0.513978725273449	-0.808003694253836	-0.556388123818429	-0.918389879976821	-1.13408935690978	-0.850616008642209	-0.9380727109478	-1.05272012810962	0.515413039436483	-1.01984777128504	-0.211431293190843	-1.0064553296629	-1.03831310749505	-0.903577027900011	-0.738403580852622	-0.879835881333588	-1.02837023416272	-1.01761569768135	-0.672861783046854	-1.00341159291018	-0.58926048064301	-0.999353277239883	-0.902968280519528	-0.331151604865684	-0.97825003588909	-0.920216122043422	-1.1123773681785	-0.459191463949046	-1.12211732574229	-1.07544669575847	-1.03932768641263	-0.531835314177826	-0.729678202206403	-0.909461585562056	-0.38159361719914	-0.360322688712475	0.0176453575701031	-0.235642319924363	0.139380521232413	-0.52394521943659	-0.423808230489125	-0.615246591734235	0.324469131180968	-0.823132451664918	-0.900805380762551	-0.0168174236447466	-0.54259051568366	-0.211065865800988	-0.62743651246148	-1.09569901528677	-0.587038629255038	-0.709236564545469	-0.829495087221112	1.65361878033839	-0.938750615184501	0.444638431299828	-0.840303287397217	-0.838595595354162	-0.751749727116409	-0.401653798471917	-0.662686125328176	-0.800255421575276	-0.875915349676445	-0.211742371203443	-0.846165550834387	-0.189754970728487	-0.567076401558085	-0.301293686592625	1.23516169197486	-0.652973720510252	-0.774909773805784	0.920299330881897	-0.995493120747822	-0.740851646469614	-0.780134147569655	0.7639346568484	0.237311128451114	-0.285342945616221	0.231058826629112	0.224658758391229	0.981289173924916	0.489329160093079	0.984041572851653	-0.0329873966546155	0.309298247220505	-0.179012707372851	1.93884850889788
Pimelic acid	0.827574258635712	0.123762175473364	-0.21858219257449	0.685666801733808	-1.00618108261286	2.52570124371507	0.999188122001086	0.575623659876868	-0.23268436924144	0.380699100728671	-1.01708099085082	-0.310595428359001	0.87296515895197	0.527998944560675	-0.674046730512061	-0.537891866020237	-0.0928838942108107	-0.954493912649747	-0.559414453760475	-0.38010594967842	-1.09356144769297	-0.13188686829101	-0.845355508663307	0.507179776019963	0.113863541093672	-0.72071736476111	-1.1198117465502	-1.02459563023513	-0.913780226619099	-0.48830505492432	0.244402249068333	-0.226589976076223	-1.06379379141011	-1.11481162085536	-0.994930278443947	-0.00388647334318761	0.53339994838591	-0.649270520330933	-0.964360295074509	-0.892324071528483	-1.12231180939831	-0.979499582871012	-0.824944430084429	-0.921406958840773	-0.516343056294129	0.690445106406053	-0.0546597471038209	-0.31023603606625	0.27332919011718	-1.02498509896618	1.53085374819315	0.384819050533419	0.282064421193919	-0.27528475428574	0.0460060223312519	-0.946585536746187	-0.596092157828405	0.60869646333368	0.192554197717181	-0.196039290011249	0.0152186485602556	0.457590776679865	-0.839273395450827	-0.0576221303911122	0.132042869287568	-1.02196747364134	0.526640533869056	-0.539209575934244	1.83896917244028	1.26246118337278	-0.607741434403419	-0.881547770776505	-1.0645767570041	-0.960192471864315	0.299237954428701	1.3226065293908	0.334354964729759	-1.08506484446177	-1.0395277049916	-0.877345882933113	0.853942391862825	4.69616100684641	0.731830155616766	-0.380117968613192	0.559236260604776	-0.926456211237325	-0.322346525262826	-0.156248967691321	-0.772630893026097	0.516655671372103	1.70465947861857	0.698993239062308	-0.223421188395491	0.492372640326365	-0.464777272756382	2.99196423886713	0.357314168932306	0.668599608896718	0.266910318047982	-0.494350160343731	-1.09986427211048	-0.458346957725634	0.648220648461505	1.15753145018815	1.53211954704136	0.668462804936823	1.57683492887337	-1.11233807217845	1.16637566624101	-1.07491667197454	-0.454156517728418	0.806897043552707	0.0538786695260886	1.04966337227375	1.96416670295305	0.0799806428579011	-0.63520198491696	-1.11857497221312	1.14932004584249	2.32147823877659	0.228600415463009	-0.583654687147588	-1.12169342222977	-1.06696820054684	0.286063569352613	2.79485524485993	-0.487258097418331	-0.206915859087747	0.604395044813269	-1.02864026638126	-0.335998427364428	-1.12325264723809	-1.12403225974191	0.00316312105114279
Glutathione	-1.16386688817694	0.0150474544789791	-1.19277016003493	-0.432409662528949	-1.20722179596795	-1.21444761393526	-0.0733070386365832	-1.21806052291771	-1.10558540741251	-0.359268291034454	-0.189367880023057	0.884123564661911	-1.21986697740933	-0.266032835489556	0.22225167772624	-0.0318621539226945	0.265949649515596	0.181587066728208	0.949912720037198	0.0909937821374342	0.310726654980637	-0.178178198868163	-0.316731320524725	-1.22077020465555	-1.22122181827825	1.11593168708776	0.968287431773432	-1.22144762508921	-0.611836560272024	0.855176857449181	-1.09023441543763	1.30539958858258	-0.392883177679872	-0.817467480248454	-0.971566840511544	-1.22156052849508	-0.795839017793007	1.26045812785043	0.394047561546234	-1.22161698019842	0.266147242281507	1.39769727927612	-0.708819344219405	-1.22164520604969	-0.957565608729151	-0.81218471587999	1.58414474751061	-0.862907006043554	-0.792384923781343	-1.073931508901	-1.01313145017425	1.51015032350787	-1.06714173233532	-1.17551764908466	1.25853170468547	1.99175628193749	2.51302251652122	-1.16411724059784	1.49967213562361	0.972697649772139	0.734115191636489	1.30644116674065	1.39160831009021	2.13025566387258	0.970022848517627	1.07895307182564	0.869021477936612	0.601403438726354	-1.15167511384239	-1.15940155749237	2.45876475899211	2.22760819441754	-1.10928209474627	-0.306628265749482	1.28840769504172	-1.19386635304474	2.02494798023288	0.590750087338456	-1.02659127007763	-1.08408205955215	-0.903551763077241	-1.10528437028454	0.550453987737048	0.311597152140201	-1.0676892975519	0.921901634742443	1.15573462103428	0.311581120329849	-0.690483623099875	-1.20776989247285	-0.540932725037145	0.812756363326649	-0.78931041529303	-0.749531575923639	-0.739762385347238	-1.19829184437917	0.243276159550972	-0.531559378546701	-0.518602693278983	0.597351370325964	0.871157826585766	0.841531688919306	-0.857548292370152	0.80551930833511	0.648957534745979	0.590955099991123	-0.143631916690272	0.773875095705663	0.659274655384218	0.0177881336534111	0.15757949221723	0.13047950648045	1.31684506171264	-0.889550185338909	-0.477103339233486	0.987645359286891	0.688650691986384	-1.17723834604676	-0.0278152957601936	-0.685598524391127	0.75115614195436	-0.139949966484646	-0.809261725241033	-0.254700949082209	-0.799670654950138	-0.751489205696704	0.925116359558089	0.348161293058618	-0.711153180416923	1.30101455849108	1.46575279087329	0.481099299865861	-0.387736755157304	-1.16171310203834
4-Hydroxycinnamic acid	-0.518331609367729	-0.209479349797978	0.616318659041736	0.487831117759849	-0.0689460187180311	-1.050049532762	-0.375206618167704	0.30838830172313	2.34594832228241	0.270270341815327	0.850920791312863	-0.549341308487951	2.54841104556075	-0.590358694512509	2.44669575805269	1.32146507062618	-1.03261035124851	0.866854550567303	1.76093077965175	0.500333438129313	0.433827155635538	2.1306278735546	0.632136705353215	0.923649458985163	3.0906255729392	2.30332259467178	1.88132022710667	0.637746180113539	0.561187111856291	0.83622044707908	0.0778140848341553	0.360756806248809	0.752804169901692	0.948021969393352	-0.287769001405366	1.91041085614934	1.8191238254815	0.150074800227068	1.4306599549871	0.0231440504301723	1.72720671840159	1.27663494823156	3.62187375964794	1.29013835593173	1.31271096237752	-0.816542868384652	-0.498143814401731	-0.0619586388448104	-0.158814125905594	-0.602810702532624	-1.14144109571737	-0.830334342378368	-0.272126938891437	1.11874924987685	-0.472319815701371	-0.0390663917349998	-0.95875873029026	1.03861190983783	-0.979994374983071	-0.0962398675377156	-0.414796378817505	-0.880384910878911	-0.486815529887066	-0.611954395262432	-0.921213312040778	-0.736830662592846	-0.0769328194704245	-0.555855184157893	-0.62929576755738	0.216974781039923	0.00829724533661463	-0.175479193359789	-0.730942524817544	-1.04841588271466	-0.596756472772661	-0.643503487285257	-0.749489968526523	-0.955299750893349	-0.469209527830707	-0.699900597261756	-0.398606221763659	-0.347854287528597	-0.919773755593066	-0.471215431520343	-0.89869759314148	-0.256455718618929	-0.830007844489141	0.650481658827035	-0.745008642883462	-0.506109814598584	-1.08372045272416	-0.412242844434108	-0.0604127624459601	-0.127741874246594	-0.88500794285149	-0.956664321565073	-0.62526571879151	-0.134854238842537	0.918326420156143	-0.824687579736164	0.275010134606568	-1.25404123132881	1.27043730951551	-1.27223480551057	-0.432807608225891	-0.211950018506987	-0.666072634043924	-0.770767652888341	-0.858900972878874	-1.21765408296528	-1.03451078141409	-0.64719584756263	-1.06113930451411	-0.017372799044024	0.973881145737035	0.211186479056247	0.0170423466890143	-1.28133159260145	-0.786072728297851	0.240032439752406	-0.27383287864648	-1.28587998614689	-0.780402075735547	-0.567810494466784	0.14683925940699	0.040041944481101	-0.4690326886909	-0.236040626863602	-1.28815418291962	-0.586914453182157	-1.17187482469525	0.633896339308415	-0.650432215007821	0.0842586601224249
Succinic acid	0.377537239122528	2.00090956250975	-0.934845291139883	-1.02849809881073	-0.0754836231434624	-0.699654492775061	-0.259989824754978	2.05616273248336	2.86120241583253	-0.137475144288348	0.490794675993176	-0.582169121787492	0.535884437767479	0.348048866497143	0.365472601057271	-0.379691628276471	-0.700715693379828	1.89659352403142	-0.0920480383712262	-0.817867238801639	0.854325678809784	-0.0799958231840794	0.680574349863881	-0.642856966408985	1.01757248467155	0.905292212793531	-0.356595767364391	-0.101912850888611	-0.184374736302127	0.359887243616574	-0.756199671324502	-0.365196869234744	-0.60990347256304	1.47012012546337	2.6438800933324	-0.0977758400692133	0.418288373093294	1.50795284981486	-0.126702047542904	-0.410764094626645	0.832622209163502	-0.21812977899094	-1.01128110603371	0.624279375728996	0.115534455948882	-0.776623485818198	1.70017903209877	-0.778214202470814	-1.01163528938272	0.0298973836312641	-0.784397446136834	-0.237959563724894	1.23120403602036	3.12132175912716	-0.498225410631942	0.16918946954348	-0.947241200740413	-0.123593021087936	-1.01147832139417	-0.563653546000065	-0.165938773776206	-1.00161846707794	1.92173204579226	-0.665760404033234	-0.708505857955816	-0.122267694044843	-0.951906547891797	1.24064315124016	-0.900267320807186	0.0360514989605181	0.689714690289564	-0.516055030568425	-0.363088930748821	-0.92384326326895	0.430112316428638	-0.869296083119712	-1.05973545491449	-0.830903658560199	0.829780288275514	2.27730010810205	-0.685043191446744	-0.112192707829442	0.450514410009193	-0.329351495415078	-0.487817182568843	-0.22176269533706	-0.693572945966341	-0.471087348932746	0.265862597217674	-0.668820609820847	-1.11437713102394	1.62482202555586	-0.333029777987738	-0.539833198135446	0.567342468941061	-0.42846116778013	-0.570076612143044	1.15160167298378	2.85873322274176	-0.414930028077529	0.110760176433001	-1.12829194159876	-0.748835131853709	-0.683047310950548	-0.532497849651582	0.0370735139611159	-0.395732347038618	1.77391703328962	-0.987820161269995	-1.00215048138902	-0.482949741791508	-1.13524934688148	1.72343694379694	-0.560502833174813	-0.111245147971823	-0.050200129218637	-0.628648352013691	-0.721800804589082	0.966862744397769	-0.829259255645558	-1.13872804952324	-1.14046740084489	1.80741451967286	2.60569254458229	-1.14133707650494	-0.510811955761536	-0.0319678110079664	-0.437965919096144	-0.657328395265286	-0.738704368691073	-0.90065593609127	-1.14177191433535	-0.612560955829835	0.019127743985943
Norvaline	0.877517024421113	0.431534494571288	1.79990629737072	0.875415222724598	-1.02286721957955	-0.747443930702323	-1.08236862564458	1.7499495783914	-0.351137359416818	-1.07550913539193	-1.27409315024397	-1.29911416102408	-0.0231597445947895	0.203374913612002	-0.347515969522986	-0.575263142046698	-0.871097925213761	-1.31162466641413	-0.866508876994642	-1.31787991910916	-1.32100754545667	-0.325489469154014	-0.742943339669099	-0.732226699114819	0.061512137711429	0.609025627070299	-0.943962771104689	-1.32257135863043	-1.32335326521777	-0.159041594656312	0.150650167108101	-1.08219135026544	-0.674237733889795	1.2647202559129	0.734670668925626	1.82655219281741	-0.181540511006763	-1.09162751328501	-0.675018784501872	-0.768746046297584	-0.353201004437906	-1.21430390338783	-1.32374421851052	-1.12813375134246	-0.780851736243904	0.224146323405785	0.776959984251778	2.09795734867624	1.87873813861014	-0.223456779278555	-0.0865364200746966	-0.256632930962839	2.78659160689336	1.0385200285543	0.343287199340791	-0.906225640625543	-0.736495716984343	0.12315152046804	-0.219057731947628	0.327707237899279	-0.188081103928808	-0.369358528008473	-0.24306920016071	0.140197829794446	-0.815495281888857	-0.652180636126061	-0.720915756369986	-0.0194509427636823	-0.557967697946038	0.621343672053354	1.60178142773031	-0.531756705424149	-0.477685077447461	-0.94526718890424	-0.38915424283577	0.105188742334983	-0.66739400940157	-0.823926789947114	1.19688574533456	1.34260420103839	3.06098220713651	0.907214248093316	-0.782952409792455	0.21687221924573	0.271777471275908	0.230049480100597	-0.890749720160178	-0.94144556905986	-0.700411515082894	-0.37359383075098	0.535789041306153	0.694524894473062	2.45597361850995	2.12081699298099	-0.0487111563788259	-0.081682186407839	-0.0219911248379215	2.94311615218852	0.892814652014374	0.681099832585958	-0.877926099273667	-0.612620868231328	0.32081856238983	-0.169521040607355	0.183768494201306	0.221029027704493	-0.509749341845201	0.120411680559023	0.633314278711103	-0.662631363795443	-0.498548620948774	-0.607894704586801	0.203907454595442	-0.535080804295594	0.705362553826192	1.61244449573144	-0.307724973939763	-0.879581648003735	-0.274059978050062	0.171972536796427	-0.559342465398412	-0.574317130927864	1.239126913787	1.44728280917314	2.85628848802887	1.03263144541736	-0.531252526953672	0.510288122759777	0.512649044649705	0.735586149741186	-0.715206607395696	-0.801850373419184	-0.467017251373144	-1.14205434039053
Nervonic acid	-0.513171631137092	0.279868994953614	-0.501192964717694	-0.228761413360799	-0.50123224243047	-0.315808910858273	-0.330451297779911	-0.223559395698059	-0.51914132549409	-0.0108519545766464	-0.418988675340962	-0.522126172670008	0.417590314684147	-0.333716072157388	3.26063919011426	2.3584370952425	-0.523618596258705	1.48609391892471	-0.48435241548316	-0.524364808053237	-0.524737913950135	2.39789159606064	2.16012830625548	2.87082013831212	1.85626470689159	-0.524924466898768	-0.525017743373085	-0.0788496368992934	1.97613727029353	2.00701469973679	-0.525064381610243	-0.525087700728822	1.17990725923585	0.423270633291741	2.47479285242353	1.70101449695903	1.21494644413118	-0.525099360288296	4.17407285241711	-0.525105190067849	-0.525108104957441	-0.378194904511057	-0.525109562402421	-0.525110291124911	6.09886453961902	-0.512758369433951	-0.162564023543487	-0.488956989434946	-0.221356248990187	-0.496003834782645	-0.325021253415155	-0.367485445375356	-0.292621647647054	-0.513437594697457	-0.296481179384486	-0.494407141549919	-0.510134429736823	0.0482335843519966	-0.496943725588162	-0.275127626356006	-0.232797971443086	-0.494953231189726	-0.231181191089864	-0.329496011878351	-0.515809744562296	-0.505228965834389	-0.234668877362834	-0.176920715489323	-0.264419317691352	-0.231619837913419	-0.518954548197335	-0.506996166095704	-0.27578302735226	-0.320002741009517	-0.234833311539926	-0.507535248595481	-0.521594837883318	-0.365733660810308	-0.290474193368728	-0.175745384836316	-0.249474960437449	-0.271066403202464	-0.518741134538739	-0.0469978150407516	-0.507785263287301	-0.44315606440751	-0.486950268962773	-0.506627303216923	-0.506645534458969	0.0426624694207117	-0.523919940990905	-0.0507327491267304	-0.423157821321405	-0.0788951281070103	-0.524515480418969	-0.241742028959968	-0.328310631988697	-0.27696581364907	-0.502452406426171	-0.185125134978602	-0.433985053745275	-0.478927848963767	0.163043375323797	-0.500221677287414	-0.177906099213404	-0.12950620888792	-0.479652520654301	-0.153383687546855	-0.259874792498783	-0.479070913626031	-0.524813250133369	-0.160286680007344	-0.161192055000112	0.0457726441169138	-0.0452979890916953	-0.482200077473308	-0.443538105747403	-0.11403178152001	0.10288763800754	-0.447047393605734	-0.496262494806065	-0.162160105407801	-0.0285541989594683	0.171924657835275	-0.0551552399152744	-0.104749416675943	-0.513251925863811	0.207318628208653	-0.413914136263741	-0.242265300668373	-0.374769784660237	-0.524962134990385	-0.525036577418893	0.512476654249386
Tartaric acid	0.273449454165337	-0.808329232378229	2.50733685289034	-0.317960531742554	-0.826087454301568	-0.834966565260263	-0.839406120739016	0.425035371494956	2.53127746473465	1.32370908070426	0.179726419078586	-0.112947623778639	-0.402618005243147	-0.772812788513703	2.10880666694312	-0.759321763152249	-0.59662329670967	-0.554948279342453	2.97308383102012	0.548362198560017	-0.694652022729467	-0.841625898479285	-0.842735787348824	0.210623828381002	-0.165659951541595	-0.0470955199307922	1.02730954086327	-0.195501612626981	-0.206198394335002	0.699145498619599	-0.473955272956332	-0.319080627527052	-0.843290731783891	2.56926680903741	0.0770141281547872	3.96581417448369	1.14097241788103	-0.843568204001425	2.79760864680673	0.784156229042005	0.189703176758225	-0.354324596285579	-0.843706940110489	-0.614476962202285	1.44278097711855	-0.720754637144251	-0.828444881698152	0.239108927612284	-0.716841809374489	-0.768726541350506	-0.688358491246449	-0.671740902776523	-0.336211948244518	0.796810149860834	0.00374279619284631	-0.0792497114695226	-0.609652597633666	-0.519411019831023	-0.789372274687891	0.0690719086620103	-0.81839639015243	-0.824070785656583	-0.71111572004819	0.201591113125161	-0.359287293067062	-0.803488675553104	-0.800478502184227	-0.774305502054366	-0.82296930874567	-0.270270462152727	-0.472926308274857	-0.246630461140422	-0.618229802354135	-0.819450149654273	-0.639965083208521	-0.782679907714901	-0.815867367352767	-0.712718229778128	0.233470320266069	-0.6412216417584	0.598842539048899	0.728750950398851	-0.662414394544139	1.31026114323985	0.110005401332079	-0.250132778374437	-0.270426268916487	-0.462419289169427	-0.819776063175989	0.442792091524509	-0.671101336974158	-0.707272653831012	1.06205236271079	-0.279107075139762	-0.796030766325369	-0.831596572931677	-0.590810480701951	0.06236140841132	1.89375968837303	0.574865596601098	0.578970282546505	-0.549459319768172	-0.302303219620479	-0.717647305298576	0.632008706462822	-0.819347469644396	-0.636775472769478	-0.837721124572343	0.739240721614375	-0.0561210224889188	-0.712058922993453	-0.711462387143824	-0.692363478005996	-0.840783400396841	0.574269327093003	0.224037785734227	0.687578423191582	-0.717738829399629	-0.374615681127611	-0.502842519349308	-0.680485788024561	-0.80663880279606	1.87691937894851	-0.248124932820772	2.72889466301197	1.84956262370106	-0.422750118039379	2.63767325729874	0.825239057988748	0.234105937169977	0.211456850348729	-0.327739785008281	-0.789203635901912	0.959375305375091
Glycolic acid	-0.878619021065087	0.828929347655983	-0.573456975332369	-0.784028057629089	-0.531267294224008	-0.836210681868294	-0.681982646383129	0.991501887667261	1.87295986460259	-0.671011732889804	-0.266103964467845	-0.65127668857134	-0.680442577625799	5.50574466099099	-0.643118534253437	0.0467788384825622	-0.885251618405369	2.03091375014437	-0.88856791707998	-0.782479347256513	-0.68586989346989	-0.890226066416008	1.74894885388233	-0.891055141084342	-0.434533153982635	0.584214689706901	-0.865353826378137	0.625408692082556	-0.891469678418189	-0.363797545961302	-0.85181143344724	-0.891676947084794	-0.891780581418735	0.582405037188796	1.97333250345858	-0.104877412159678	-0.415952927586984	0.0004387827069685	0.0690768545207513	-0.0278214459515014	0.337051158834782	-0.704892243603379	-0.142612654200071	-0.178873581074555	0.175995816405507	-0.465665843365491	0.749609311074681	-0.265119078048248	-0.459709123482345	-0.187623775242173	-0.555769923139897	-0.336194103304753	0.997948902233412	1.62102875424144	-0.30773164417061	0.0613300307313081	-0.613459712094164	-0.23915983174314	4.39740489428593	-0.415311859284262	0.0524413071266009	-0.586306804146696	1.06059876161549	-0.470938815269221	-0.550682374455989	-0.471692096924143	-0.592530069892371	0.89053093259674	-0.617052286307721	-0.309574287082343	0.240240227869083	-0.416273742029556	0.256673358331167	-0.615093753915526	-0.228370520454541	-0.467218762544146	-0.640531497335069	-0.72579139635369	0.352073587688288	1.11575057090297	-0.125089805532122	-0.164044007516052	-0.210621822011245	-0.0358373365322143	-0.0530249002090098	0.199393299381566	-0.388568626298511	-0.0471589195208734	-0.186481985895936	0.0612401229913282	-0.699273001298082	1.04898366944585	-0.623098702187902	-0.6209904923097	0.0809522027785598	-0.553988605033276	-0.648703737986446	0.577948526986208	1.44201346146883	0.164625602141499	0.0222767303674729	-0.202190224987645	-0.796936676271704	4.60677472648439	-0.356975918791799	0.0455642506860121	-0.444201942170539	1.23771758151583	-0.542548195939829	-0.65570639688074	-0.861616143818015	-0.593072114270035	0.99368668150753	-0.585842267328792	-0.199453090481692	0.841662090093061	0.0671350210225948	-0.0433111658137076	-0.00902257338274861	-0.0596278197769694	-0.518763359833426	-0.831348071890378	0.377951665438994	1.72752324814851	-0.053625574586074	-0.0556243373075981	-0.116951180030999	-0.332536900048929	-0.804297676639482	0.0343872186542436	0.0104811937468259	0.115777575706113	-0.424574635101465	-0.456095148033927
Suberic acid	0.837387630614777	1.46575198708009	0.384899244307307	0.170692039500285	-0.0661947211340258	-0.320998752218953	-0.656439197786774	1.69067464922971	4.14942297286652	0.119220665545385	0.65662346140971	-0.432037026474697	-0.328436587278477	-0.282053738061423	-0.234039786582482	0.394628963675976	-0.741483488079517	1.56982654459238	-0.730913794270301	-0.338191734250161	-0.831781887079491	-0.22086409401365	0.160464685537239	-0.388353139929508	0.504533697347166	2.08417468612196	-0.133965387163668	-0.16236633803001	-0.673537437297138	0.152883267719383	-0.422035126809955	-0.922595232621744	-1.29377831667107	0.428635210757587	1.86107133256861	1.22482396653946	0.51110793225318	-0.866673936431622	-0.901294185199933	-0.0874181791490097	-0.87197438315177	0.0359008122755339	-0.025999665401709	-1.11647925353109	-0.492934990412655	-0.146457674492991	0.0489784580114741	-0.257440356062124	0.00537258525739525	-0.477918099716577	-1.18639732566189	-1.0547429183821	0.991262028087676	2.28694842288715	-0.578394462314334	0.0814271793188571	-1.20995131567354	-0.3243212911644	-0.960217037383173	-0.380788883025547	-0.438124253411335	-0.780400918794962	0.403620968198492	-0.688974247082735	-0.943450315506121	-0.671029825728737	-0.760968877129891	-0.146302713366848	-0.839316885931149	0.748469977285352	1.91668589783844	-0.240983554901018	-0.767508208526285	-1.21494104254477	-0.485511162279903	-0.571576202072683	-0.878057001187638	-1.12772929526391	-0.0619112466456131	0.742240566723084	0.210478250433823	0.819976693986359	-0.456035483919886	-0.236243912807193	-0.340207577323511	-0.923980226035066	-0.729952245136915	0.145836628461453	-0.973039298206279	0.352210325749974	0.548725088050827	0.813233040998092	-0.379142026664165	1.17798082050873	-0.0127606910026748	-0.974421083978772	-0.748533592137899	2.48243711711646	4.06556125969275	0.237329438768371	1.13944925898713	-1.20634022992391	-0.175495247874687	-1.3853146554984	0.236635957504354	-0.279480214331158	0.127959486020706	1.06713752749069	-1.0072514463551	-0.725006481924768	0.0134091200607022	-0.46754342248087	0.615422050025361	-0.529109355462969	1.27409200253007	3.17683986229275	-0.12140842938946	-1.16751180042803	-0.381422767429104	-0.147569200866694	-0.197383065244714	-0.838053436011152	0.254938921297016	1.92754193616805	1.36037640869802	0.964893539944303	-0.275067127139035	-0.577398111778827	-0.409707579645011	-0.561435130126206	-0.574678023136788	-0.228841541194	-0.668679071129606	-0.204926600472189
Beta-Alanine	0.375166933277512	0.533791408475332	0.325013102734093	-0.511536545783431	-0.963061643215809	1.05741114609548	1.67922239581645	1.39138246145255	0.00936660612410895	-0.969306968786609	-0.950570992075727	-0.97242963157087	0.0102995263680297	-0.97399096296338	-0.974771628660015	-0.975161961507573	-0.975357127932111	-0.975454711143621	-0.414260873172122	-0.352315799070218	-0.836875101783617	-0.0889384175548667	-0.975503502750135	0.503126197290894	0.23797980125342	-0.668936038701495	-0.450226464679026	-0.864735578534505	-0.899230036573375	-0.975527898552633	0.380379119522419	-0.104934439243789	-0.138934778590176	-0.975540096454641	-0.975546195405266	0.18780070092123	0.686625523658299	-0.823809095958189	-0.975549244880198	-0.975550769618424	-0.975551531987157	-0.920712494392321	-0.975551913171144	-0.975552103763897	-0.304588424684097	0.857601485810332	0.799408850059442	0.350529235668099	-0.454195283412243	-0.763718849575534	1.57305237621585	0.898948884996456	1.04261731403732	0.352697676957145	-0.855332434707385	-0.407494161940648	-0.406281304920141	0.905331698137855	-0.585392111836104	-0.851889880883016	-0.621594056742587	-0.697011712535947	-0.379696458745674	0.413732563368501	0.329714648702453	-0.468467792989136	0.996332728729333	-0.662108382233961	1.73234093380437	2.1898575600582	-0.206576430420831	-0.572173195260287	-0.849488668987149	-0.435353120574464	-0.894131608822862	1.40064291025222	0.455459745576486	0.553860429928434	-0.74237746610935	-0.160867646207572	1.27973699046362	3.99112981731927	0.872867737029209	-0.00142230059978467	-0.430114817352142	-0.0718667960173443	-0.170451429175922	0.0722651100173256	-0.541775723189746	0.592161546619401	1.8185867099648	1.35585342866183	0.641440675971649	-0.948998908434059	-0.766563474430701	2.24061626931355	1.26783529146638	1.69172579856253	1.00764825538965	-0.762654272448151	-0.962275601391176	-0.922445522504631	1.56344407408412	-0.758805793856908	-0.968913947875052	-0.972233121115091	0.518538758163179	-0.579212062899361	0.450556678721749	-0.0256329288263397	-0.973892707735491	1.0805589069947	-0.458151191236696	2.02054846416384	3.08599459467095	-0.77259997788446	-0.442638132032317	-0.664772215999437	-0.97472250104607	1.30477498641633	0.607684185794361	0.611357397762076	-0.97513739770098	-0.47499804194996	1.40784340896385	2.43403252261061	0.224043290521489	-0.975344846028435	-0.117557237012417	-0.544765856777983	-0.860764849657187	-0.593364714922592	-0.975448570192163	0.220749615419127