ID	MS2-1	MS2-2	MS2-3	MS2-4	MS2-5	MS2-6	MS2-7	MS2-8	MS2-9	MS2-10	MS2-11	MS2-12	MS2-13	MS2-14	MS2-15	MS2-16	MS2-17	MS2-18	MS2-19	MS2-20	MS2-21	CG-1	CG-2	CG-3	CG-4	CG-5	CG-6	CG-7	CG-8	CG-9	CG-10	CG-11	CG-12	CG-13	CG-14	CG-15	CG-16	CG-17	CG-18	CG-19	CG-20	CG-21	CG-22	CG-23	CG-24	CG-25	CG-26	CG-27	CG-28	CG-29	CG-30
Propionic acid	-0.875122937563396	-0.859778983755395	-0.873715870774803	-0.875421603324419	-0.865166005492378	-0.856776827805081	-0.869981571896948	-0.867670929069892	-0.873275855455723	-0.873136270427295	-0.867826034578893	-0.849816811769395	-0.873765975365179	-0.867300832734165	-0.874852213095501	-0.86108592992518	-0.874695396730776	-0.851356058600289	-0.871802443024007	-0.867197264908805	-0.859103712355809	1.3732503299393	1.12311785572138	0.613948356683754	0.894436853425295	0.963902267440494	1.99359722247525	0.69871957400563	0.2662877630248	0.609645101097412	0.296377605072448	1.13701402974195	-0.874090031566991	0.749219804086062	0.302900209700031	1.46599212864843	1.44015753629442	1.41213170676627	0.771728217756242	2.56735919096021	2.24447039658302	0.0296510554956942	0.155681946863379	0.0688767504080083	-0.139517419185619	-0.288722153248617	0.237413084003154	0.658194490073679	-0.866884621121057	-0.848373023978654	-0.84763669851206
1,3,5(10)-Estratrien-3,17.beta.-diol 17-glucosiduronate	-0.849760592048252	-0.812059594211937	-0.846558532859479	-0.848664945688921	-0.812745406243405	-0.810830925544767	-0.846926921141843	-0.847445468276447	-0.848636436664001	-0.84538524784777	-0.851083100848139	-0.831390626919653	-0.849304392159612	-0.820659330372974	-0.84685755461869	-0.811158473448127	-0.847975581909493	-0.83246211352194	-0.850351880358503	-0.848515949370031	-0.833441801705462	1.25524841147226	1.52776685030416	1.671639207039	0.626372572385454	-0.0281234710226809	0.10805389093335	0.397261216181035	0.818471960019332	0.34339212050184	1.96639690096992	0.972640647158604	-0.849410763567517	1.48063764947954	0.782436181012988	2.47166404010912	-0.0632584244243241	2.17754782531131	1.28752701177695	0.136916319695193	0.681332576136394	-0.576661722825887	0.0972957197092925	0.276308948226319	1.29710197329757	-0.16637737570619	1.24951838927723	0.186896595709537	-0.848222275893899	-0.839135623619475	-0.84902247388698
L-Leucine	-0.869270269833496	-0.798001280583412	-0.830761380454105	-0.873775049925014	-0.770303347979335	-0.782995324083767	-0.836262261051059	-0.873291574314418	-0.873452244146818	-0.872792238975621	-0.873651471321497	-0.716451743089611	-0.831694492069379	-0.783477822586694	-0.871681071675298	-0.796865649741362	-0.873603993902624	-0.84423612723169	-0.832950705360718	-0.873949899477404	-0.73175221166247	1.2455369330552	0.132920533792143	1.21452937812537	1.74130230037174	3.08707365237131	2.09150414834688	0.405569730138193	1.36446904152082	0.848919873161186	0.675965722450736	0.607199662221712	-0.850694238343858	0.890797809259769	0.844117783915038	0.0502703719036176	-0.270855036568299	0.210049799349114	0.855846332259776	-0.00643223999927307	1.00454485839437	0.919375965028823	-0.230992273139771	-0.443687831978934	0.981552132090422	-0.0379537081299655	1.18510889935494	1.47720667249288	-0.873886691510748	-0.834260693616326	-0.873878726851082
L-Isoleucine	-0.873016217796644	-0.79234760292468	-0.829959893742542	-0.879586043175977	-0.755237994617294	-0.780107298423153	-0.831211710525013	-0.859491407387894	-0.851547268203499	-0.845947545241957	-0.860556598888693	-0.737536697473289	-0.837634528199926	-0.765389966649812	-0.858239980701025	-0.796774381203374	-0.865501122687534	-0.844454658244097	-0.838425526822516	-0.879573871572631	-0.740169931435736	1.03598092693989	-0.0156010433118938	1.23499519902163	2.02118862593191	2.71349483472057	1.82539077815898	0.57300126451689	1.76840844987565	1.02207931988309	0.590923541589886	0.494333711362346	-0.851894854111303	0.87170498983863	0.477161867989103	0.15584189489948	-0.440738754446861	0.210692882673832	0.833037916145786	-0.0614523482631828	0.650233987271077	1.09757339725869	-0.277830930661422	-0.42796392144855	1.37444646987952	0.0340460691498531	1.48885530348237	1.51381344269547	-0.865044223215278	-0.844256170509842	-0.879712381399022
9,10-DiHOME	-0.809162091010834	-0.793308575650373	-0.821181908235223	-0.828081025607516	-0.794619360473965	-0.786195289691875	-0.819260282597295	-0.823030399309659	-0.826170709401821	-0.822585513332718	-0.828053186947999	-0.792380419302934	-0.80575758921924	-0.752277347592751	-0.824729685783473	-0.788388934123883	-0.824624052155088	-0.794613876989172	-0.78895340831657	-0.82629379925405	-0.757659160599009	0.52810845588575	1.0422839693598	-0.223133600007142	0.750269383548139	0.293760619648071	-0.394259242943958	1.93009634289006	-0.169190398244019	1.23227697522912	-0.257954285146006	1.39390616889152	-0.791185325802341	0.549069489380408	0.0344484126266028	1.28096586660533	1.62564695788975	1.47169742643334	-0.451239608687394	2.15085346133202	0.0951154244748193	-0.656489135226685	1.25997274867946	0.818443666489866	1.7245565906243	0.39020855555643	1.81681552640434	1.89107824034712	-0.826647426497683	-0.814923266525991	-0.78722537761959
Isobutyric acid	-0.759629022239352	-0.747303736455336	-0.75885442319716	-0.759120934971399	-0.741920326547611	-0.741842305483524	-0.757054589134714	-0.758388273447796	-0.757344855026763	-0.758351841135522	-0.757766787589091	-0.751628075689471	-0.757812525425377	-0.751258955119822	-0.757282409717169	-0.744783009898608	-0.759194194487835	-0.73546294124517	-0.75758869134725	-0.758472421319369	-0.745378328458436	0.338547939347136	2.50841359682016	0.660844991980194	-0.373037997459092	0.639024767447971	-0.0492552592819251	0.785907144371952	-0.355716929603521	-0.0391906290432537	-0.0482646572049954	1.17071677964136	-0.757996289399286	0.791772455885821	1.19468008136616	2.81046781676324	-0.571957878544842	2.54623618962784	0.20516640480809	1.23111348149623	1.39891860138703	0.0933678333110708	1.48588837257326	1.84504526506201	0.0808243045959031	0.214132735181982	-0.233338954199038	0.518968930406556	-0.759719574321804	-0.758313976116314	-0.756806898963115
Palmitic acid	-0.817684966937374	-0.765744112318616	-0.812342905008529	-0.740905036162082	-0.678705246185362	-0.728567951072466	-0.801215551572592	-0.832456557517782	-0.799558195948434	-0.795991575073338	-0.777587315499375	-0.668682000271014	-0.73057887044345	-0.739695446980948	-0.738271068982524	-0.742383616462706	-0.533956463618804	-0.800214338547073	-0.810198569943611	-0.773248483855213	-0.625832850432613	0.946107556549331	1.07529898975734	0.90928728672857	0.325846982533566	2.13514857732921	3.39778216610213	-0.207077591536095	0.676255675971877	0.676177394199449	0.0801982645026444	-0.582369382175749	-0.718851596095914	0.516005454891601	0.295610844245108	0.409899854319404	0.755191942496723	0.485944297883311	-0.159087227968399	0.290853716642437	0.426442630986128	-0.281905733856414	0.314856171030694	0.0414688065209531	0.847951409875055	0.715605281050018	1.45051430754389	3.19716188659366	-0.986188431260751	-0.777143595104396	-0.543164816921475
Adynerin	-0.747492532355368	-0.726553875133895	-0.746607738498022	-0.748235059604184	-0.73729884401784	-0.729316227127689	-0.746030889425853	-0.747864670071654	-0.7478802156075	-0.748628789480983	-0.748259518284185	-0.702778015632755	-0.748294564349779	-0.737384300091242	-0.746829071944728	-0.730902352576405	-0.747851774916213	-0.738372262301951	-0.746353708159921	-0.748385962993273	-0.729257370213825	0.752778348653583	0.0427167123753199	-0.0833043339985202	2.05573065054345	1.49008028458858	3.07735250838966	-0.288150484049508	1.54469471615131	1.673988379245	2.83529471966152	-0.0683117762767052	-0.747541338885539	0.622118575063772	0.552170176368854	1.21004132175014	0.247323219055004	1.12397045645365	0.0959305058045262	1.2422689638202	0.567815488935902	-0.556860337876363	-0.107644237878623	-0.302228800218657	0.158154137188456	-0.357438910758259	0.286643970335112	0.694452999754731	-0.747605151356657	-0.71752461059174	-0.746338409460929
Pentadecanoic Acid	-0.720674758191646	-0.621087583148491	-0.716747793107289	-0.715405870921771	-0.628631805865163	-0.601928310507078	-0.711576997761108	-0.718894167797258	-0.71861697704576	-0.711792436990035	-0.720916856224125	-0.668564838022047	-0.718076006527065	-0.688495772783848	-0.719978660263408	-0.62416958417403	-0.715604285326736	-0.707150550551118	-0.69202740903085	-0.718552579780581	-0.671795840421596	0.850187056900388	1.42937788266705	0.948865940522554	1.03073503143619	-0.173885440100988	0.768319964393113	0.0650621581295735	1.32490055758731	-0.272672896208587	2.11084569672713	0.494214516397551	-0.711464250367671	1.47727571381422	-0.124815435709732	-0.349274036611883	0.856223061338967	-0.14895024032901	0.597100340144383	0.22487550658356	1.1621865938629	4.51845282220452	0.443117335907667	-0.445501580459806	-0.234665681298948	-0.0180234128922933	0.128672921295687	0.632513217243168	-0.72667353334571	-0.636018015077521	-0.710292710312776
(R)-mevalonic acid 5-Phosphate	1.31327087622681	0.981999086242742	-1.15266243405182	0.53863687878322	0.992779850340607	1.05793469440082	1.36149956861556	1.01881593682941	1.17184988414194	1.19890823853782	1.31426314998638	1.0592761161155	1.20537364950498	-1.14694847407823	1.28542310855029	0.953334012856398	1.27969934143361	-1.15941094910319	1.27404782088401	0.956376250117662	-1.12963991738646	-1.00650686194576	-1.08269249553421	-1.1134854356517	-0.972802892392529	-1.00203661194053	-1.11459487666233	0.325574800271772	0.473154429380624	-1.00752632613742	0.315524766102868	-1.10396096538237	1.18200595713212	0.491917179079365	-1.00683125221203	0.367610229747453	-0.165478575002271	0.340941372610989	-0.988890420580628	-0.841130686559835	-0.892216127165022	0.595896877857487	-0.94427437829901	-1.07771116227251	0.309020461874752	-1.04838740850605	-1.08037167465535	-0.835568055080953	-1.12242571672655	-1.02736649480395	0.657785654505515
2-Oxoadipic acid	3.42745317210541	3.96174052022134	2.84616543939595	-0.60731970269201	1.57552302276312	0.0942346153290299	0.322864803370592	0.180881407883603	-0.162400158995002	0.184102248472339	0.169964833339144	0.174772192754609	0.176749887713711	0.387353865794416	0.457772302429726	-0.136972966482687	1.27430932146493	-0.0338807522858253	0.0791558190111745	-0.633647421128799	0.103733933834503	-0.328292836502316	-0.431827545782941	-0.554601346566157	-0.551099684297298	-0.51755938743939	-0.543172182732197	-0.534872277280738	-0.596240141891608	-0.554087447212166	-0.545051474941542	-0.617516922433637	1.01547595205741	-0.554639126188998	-0.357932676219464	-0.543712980925962	-0.403839750709875	-0.572537763590914	-0.547672970461383	-0.444396483854345	-0.537001054878758	-0.539713260559186	-0.379802590083844	-0.545264993059114	-0.432868909188596	-0.257830232647919	-0.603274228302918	-0.539677953659242	-0.607600646325974	-0.579027765113828	-0.636917703506372
Androsterone sulfate	-0.640468225865666	-0.632395052382453	-0.638536330383471	-0.640943746615559	-0.634602465183497	-0.629162632722777	-0.637909596999149	-0.640482885865487	-0.640808103373622	-0.640135227913393	-0.641077756565614	-0.627598707323202	-0.640236023694257	-0.63375061686403	-0.639168704678008	-0.632526512336868	-0.640135308386127	-0.634222654185335	-0.639070694472272	-0.640958560960562	-0.63195426996042	0.237709009538076	-0.0156397210341885	0.129823507597414	3.03880141269603	-0.540445882922698	2.7701341767085	0.484085083285954	-0.0880999605021979	-0.298523214446122	0.466050012835207	0.727735667928009	-0.639617681864526	0.30387978425048	1.64152235336544	1.29905654271693	0.255869446380752	0.982874599520916	3.81577201051678	0.212261093866771	0.233247722990045	-0.598037198088251	-0.242600756556474	-0.19040365317305	0.635230609573054	-0.203888547985358	0.277440962507932	0.596773019780112	-0.640854717116219	-0.633700292211402	-0.640311313426149
Cyclohexylsulfamate	-0.621471863380244	-0.575270034815745	-0.620446876644982	-0.62073938829154	-0.607374893426318	-0.55960255062393	-0.620131108882358	-0.618045686590976	-0.620558389862917	-0.615236589080769	-0.62129992613736	-0.603398921158155	-0.599628751980425	-0.0939291000685316	-0.619595596875483	-0.567511584454157	-0.6164019782989	-0.560634068558959	-0.618926040261344	-0.621423334237125	-0.620460912548849	0.378874996648348	1.73413776431646	-0.229728174966921	-0.525095896963494	-0.599338562967959	0.277076743874885	0.440727573013795	-0.589632223947658	0.759770487856573	2.45760115924244	0.01143516328096	-0.617053498336574	1.51967850391905	-0.54083178418681	-0.619470928129352	-0.59617239415337	-0.526316503603436	0.850192618546247	1.42204182093639	0.759503189687324	1.05487866663078	0.99826535438109	2.02086895046555	3.97084539487948	0.864221922458126	0.0148170901178012	-0.6056660441304	-0.621425805645198	-0.620757555767109	-0.621360431277954
Nname,cis-9,10-Epoxystearic acid	-0.581514512566346	-0.563815155667707	-0.5824690326486	-0.571908099553454	-0.574796449121154	-0.528859533370228	-0.584607578026361	-0.538858362466231	-0.586185695481331	-0.584259880822883	-0.586724320018084	-0.526356787173567	-0.529020872536915	-0.584365798328219	-0.554164697614841	-0.562815543498489	-0.58521222393145	-0.540774071684651	-0.584165160366222	-0.585933423819825	-0.580978863770288	0.341391130944246	-0.323656612259152	-0.0733161861041738	0.0516672437359927	-0.171600744006697	0.142752632467652	0.116120583233234	2.23221995332034	3.78049027023834	1.99335344932063	-0.235451826793748	-0.583857649019579	0.404954850096876	-0.360841154964982	2.50400185744977	-0.345102842003567	2.15033424838142	-0.0559172488375597	0.0473710358915613	-0.30366403735596	-0.149665250221912	-0.262210481396886	1.92621535978595	-0.439349972647383	-0.348174667908205	1.70173566819101	-0.277677933422906	-0.520905429572854	-0.490065779379487	-0.533364404695137
Oleic acid	-0.821456922990143	-0.540751186690163	-0.549625395260293	-0.706595716614477	-0.608511441000663	-0.515182683267513	-0.570423060126349	-0.542911958678528	-0.574273753789226	-0.586243933489666	-0.451002090916787	-0.52719662317656	-0.535441369223691	-0.54223560054774	-0.556668617351787	-0.551160820275533	-0.55992878267652	-0.424989433019461	-0.561486626608186	-0.389176784437997	-0.542615963999354	-0.363591581191814	-0.113964125296076	-0.207737023450798	3.94100389031345	-0.57690823141813	0.00814003767486019	2.01196226982271	0.136545202686759	1.00592151805636	0.279285447306266	0.257385656293588	-0.580681984441373	1.88287801780844	0.439872041293161	1.87190794149458	-0.387281248808685	2.94046714498357	0.294492199674746	-0.124465157992046	-0.275343896803393	-0.69020770531582	-0.128965913881153	1.56614307576014	-0.438140347733472	-0.534814072779629	1.16094020233646	-0.332343423488891	-0.574156130290757	-0.38110250879885	-0.429362529673574
Hydroxyisocaproic acid	-0.557656213432174	-0.544683640999703	-0.555154424491507	-0.555786624542151	-0.546740781108026	-0.520332548684136	-0.550873374401497	-0.550852033619155	-0.55388653956998	-0.551698937901674	-0.552625209355653	-0.540546033688271	-0.553211007754892	-0.546729434093483	-0.554701933901872	-0.520721884089129	-0.554514661370103	-0.536401242457384	-0.550070004808503	-0.553930938325374	-0.532962106165462	2.63593106568667	-0.00128074209027641	-0.253723466567655	-0.375543679756668	1.1903530662141	0.0765954982893091	0.35099121100854	-0.247321314438774	2.33341236395678	-0.128119171972143	4.78447691547732	-0.545231882776338	1.15088063487539	0.0597681904506558	1.29042423849642	0.0900994002827264	1.21469719480695	-0.268485113631168	-0.321307496267006	-0.322005588823325	0.512686512301424	-0.175437736469693	-0.0659301694492196	-0.111110416923668	-0.379570459283859	0.336928206993263	0.292550301481641	-0.551055853249694	-0.531895294126266	-0.557696839735304
3-(3-Hydroxyphenyl)propanoic acid	-0.532984391859578	-0.511041472786655	-0.53005680363438	-0.532470787733067	-0.42828399662727	-0.508075000447719	-0.510015158021261	-0.527482964383084	-0.530462515683122	-0.527348270359963	-0.532471597908818	-0.520590198040478	-0.52219612206347	-0.440367701375137	-0.53167590576514	-0.511345345026548	-0.530621761411493	-0.494737028922417	-0.530375338928697	-0.532846658069331	-0.51709283627566	0.365511413975126	-0.352708180529297	2.79913495128675	2.13480722348509	-0.258981682643066	-0.299743253212745	-0.445807514299538	0.749662955018821	4.53327978533181	-0.483601403924232	-0.437570413398429	-0.527387388226304	-0.0655965204106691	-0.368179751430772	0.50730179824902	0.269109922656624	0.486031151153407	-0.487957220130386	1.37744141160966	0.141562038870196	-0.510172689884798	-0.00857981328472949	0.619624523374343	2.26027691941004	0.17741441554136	0.345101335357195	-0.153723567155886	-0.530037293864845	-0.50181138934836	-0.531859908252093
all cis-(6,9,12)-Linolenic acid	-0.519128676588357	-0.480743002067753	-0.515464649041941	-0.518062985980216	-0.500727733877898	-0.473577700740596	-0.514768721596606	-0.504352391777503	-0.516953760126839	-0.516259636783993	-0.517644992108536	-0.500612904852213	-0.507206416955874	-0.516113523730867	-0.517823633294694	-0.480656384150032	-0.515982105207957	-0.319389612745296	-0.516717689575394	-0.511754374057416	-0.50489441422755	-0.121524178327634	-0.109791963158388	-0.243053235455871	-0.341918081689754	1.46661363071084	-0.0101780081119615	1.11690889096165	0.133873628198405	3.12398219196157	0.602364563490823	-0.234073439544335	-0.514317950728094	0.159481888265609	-0.100020375187893	1.01646326239443	0.186205873663764	0.550690614399581	0.282272031352659	-0.14732923302124	-0.109787759902359	-0.395586044160266	-0.0544570705791571	5.05289215834516	-0.356065034725959	1.56086722503437	-0.282523392337426	-0.246093718559315	-0.521441485958044	-0.476953494842107	-0.518666183001519
Lithocholic acid	-0.514020806660241	-0.546906468742153	-0.54817691799288	-0.537389343625986	-0.329980363632471	-0.18447905755702	-0.473838518011874	-0.544983929346726	-0.53981378848363	-0.521215706148454	-0.537444135294454	-0.495429248901509	-0.54518398778802	-0.507819498428485	-0.546858451699061	-0.182731986572196	-0.540163694805731	-0.495143353395603	-0.539508790963697	-0.544787573969692	-0.548327582363396	-0.149104795081797	0.157507259110955	0.493654715273997	2.29965459123491	-0.416838621450801	-0.273293220940968	0.651540649828022	5.21424683129759	-0.477001987210289	0.0996976195866025	1.61401935045275	-0.541874787653199	0.701046991381295	0.100565059314337	-0.264426829114834	-0.317129800940047	-0.255266876036316	0.52067261587987	0.391496802785266	0.838812405642236	2.13511206207993	0.116188885603751	-0.381443133453298	-0.403070361900393	-0.155401758497852	0.591145119205719	-0.534363487548958	-0.54871886609578	-0.43264602218933	-0.550577206180095
Shikimate	-1.25291369076904	-0.45999921232461	-0.290060520276763	-0.50490200620547	-0.712391814687784	-0.965684894107398	-0.306956806621311	-0.592320952020561	-0.608114125190242	-0.417683266336009	-0.379381512515102	-0.556795639143747	-1.0024862725532	-0.451264800732623	0.276881165565649	-0.774385145046728	0.0818737391004149	-0.4762570863388	-0.185606440886787	0.158076115338806	-0.546635322312769	1.83720991455263	2.70619414042681	-0.759117687852379	2.54232182081837	0.801472908183421	1.41435690186947	0.745314511942268	-1.18543205528245	0.694712593008414	2.29757798581935	-0.285879232806877	-0.259266399477146	-0.00809754322614403	0.388776754526149	2.57072324934712	-1.11287979499683	0.113501961400365	-1.03568052626604	1.04267865568946	0.698412715471616	-0.459203071577383	-1.02558496607425	0.343220821490342	-0.781360514451039	-0.70111624461072	-0.889454879406485	0.515293528850449	0.0877540529737378	-0.105359291890905	-0.224081820387263
Succinate	-0.546121230411601	-0.475696748791866	-0.431441307455185	-0.578800257930538	-0.528189346810763	-0.47013927107323	-0.531269952431101	-0.428286531725847	-0.439800602768768	-0.490244478168796	-0.514164401482435	-0.448604422326832	-0.314127261542822	-0.125468154863455	-0.483966407421048	-0.44931249411408	-0.516123709424737	-0.322086064802184	-0.490021582302991	-0.580735619663798	-0.335856944364747	-0.470669114970968	0.55123170383508	-0.444547184750388	-0.38822410795717	-0.504684977761678	0.151025168663579	-0.48355418327401	-0.362185386272949	2.34890062603412	-0.187111162453299	-0.180244593337519	-0.547601645254175	0.283266066581614	0.876122852965915	-0.452302273620842	5.12368152967946	-0.404471573716344	-0.419804900016317	-0.336667006551149	-0.503801652989902	-0.387093333253098	0.539711273288941	1.23225849668825	1.79530810622749	1.31027027365714	-0.44464562302419	1.3572298148192	0.155918337564425	0.874367215010952	-0.581225955935346
Norethindrone Acetate	-0.614371119710061	-0.783858727351646	1.33843496324837	-0.246039552621156	-0.0981320026324125	-0.116261317304783	1.32833763215825	0.00951648033377679	1.26279542835549	1.16299751530705	-0.0035022084157915	-0.0564663013771637	-0.0445093167157211	4.71646865621627	-0.0531990628878903	1.40451787958533	-0.642981917518979	-0.0632200454814596	-0.0211945719928067	0.0278215253379771	0.194655311222369	0.767652528409098	-0.414134891223164	-0.21126788952138	-0.111150660359793	-0.317834290972126	0.114169301837135	-0.833327332540722	-0.61328869145003	-1.05328524034327	-0.528169016340586	-0.843910149575264	-0.868870000150776	0.12864734845033	1.21065022748177	-0.798801009764884	-0.489956822041354	-1.09885378997081	-0.0140358846953412	-1.01818062223241	-0.187799826250262	1.72042958930481	-0.875555103521497	0.886990401183019	0.157000172014839	-0.29214875628709	-0.813113812509425	-0.596862629614566	-0.166539190081214	-1.60274298870714	0.0624797817170772
3b-Hydroxy-5-cholenoic acid	-0.418161590900846	-0.261927749481058	-0.424992136070453	-0.426365551653243	-0.379207395996977	-0.115266376501083	-0.378932230427874	-0.425545055062592	-0.425424045136978	-0.40191800673639	-0.420289977956036	-0.407813542114432	-0.426013975746883	-0.418958360924984	-0.42044178408928	-0.139269628295449	-0.421359039730069	-0.422347003355216	-0.421701687981858	-0.422452739567517	-0.424494679082182	-0.214750787369809	-0.261075147324873	-0.0907888376996196	2.72509770170328	-0.408144143519104	-0.355837819934145	-0.138971296838657	5.18934768258904	-0.367051910794599	2.21405505894479	0.641619175095951	-0.423330757763544	1.34207104877069	-0.164667022422017	-0.41599889787131	-0.404115908021474	-0.341667375782545	0.520921792623619	-0.144845126031394	0.615278993556287	1.5106870666945	-0.140015028300277	-0.379967262505637	-0.388381666953475	-0.288443972298028	-0.142741374896429	-0.414178343015353	-0.426770647408541	-0.417722214246475	-0.426730422169466
