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3-hydroxybutyrate 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glutarate 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lactose	1	0	1	0	0	0	1	1	1	1	0	1	0	0	1	1	1	1	1	1	1	1	0	1	1	1	1	1	1	0	0	1	0	1	1	0	1	0	1	0	0	0	0	1	0	0	0	1	0	1	1	0	0	1	1	1	0	0	1	1	1	1	0	0	0	0	0	0	0	0	1	1	1	0	1	1	1	1	0	0	1	1	1	0	0	1	1	0	0	0	0	1	1	0	0	0	0	0	0	1	0	0	1	1	0	0	1	1	0	0	1	1	1	0	1	1	0	1	1	1	0	1	1	1	1	1	1	1	1	1	0	0	0	0	0	1	0	1	0	1	1	0	0	0	1	0	1	0	0	0	0	0	1	0	0	0	0	0	1	1	1	0	1	0	1	1	1	0	1	1	1	0	0	1	1	0	1	1	1	0	0	0	0	0	1	0	1	1	1	1	0	1	1	1	0	0	0	1	1	1	0	1	0	1	1	0	1	0	0	0	1	0	0	0	1	1	1	0	0	1	0	1	0	1	0	0	0	1	1	0	1	0	1	1	1	0	0	1	0	1	0	1	1	1	1	1	0	1	1	0	1	0	1	0	0	0	1	0	1	0	0	0	0	1	0	1	0	0	0	0	1	0	0	1	0	1	0	1	0	1	0	0	0	1	1	1	0	1	1	1	0	1	1	0	1	0	0	1	0	1	1	0	0	0	1	1	0	0	1	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	1	1	1	1	0	0	0	0	1	0	1	0	1	0	0	0	0	0	1	0	1	1	1	1	0	0	1	1	0	1	1	1	1	0	1	0	0	1	0	1	0	1	0	1	0	0	1	0	0	1	1	0	0	0	1	1	0	1	1	1	1	0	1	0	1	1	1	1	0	1	1	1	0	1	0	0	0	1	1	1	1	1	0	1	1	1	0	1	0	0	1	0	1	0	0	1	1	1	0	0	0	1	0	1	1	1	1	1	1	1	1	0	1	1	1	1	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	1	0	1	0	1	0	1	1	0	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	1	1	1	1	1	1	1	1	0	1	0	1	1	1	1	0	1	1	0	1	1	1	0	1	0	0	0	1	0	1	1	1	1	1	0	0	1	0	1	1	0	0	0	0	0	0	0	0	1	0	1	1	0	1	1	1	0	1	0	1	0	0	1	0	0	0	1	1	0	1	0	0	1	1	0	0	0	1	1	0	0	1	0	1	0	0	0	0	0	0	0	1	0	1	1	1	0	0	1	0	1	0	1	1	1	1	1	0	1	1	1	1	1	1	1	0	1	1	1	1	1	1	0	1	0	1	0	1	0	1	0	1	1	0	1	1	0	1	1	0	1	1	1	1	1	1	1	1	0	1	1	1	0	1	1	1	0	0	0	1	0	1	0	0	1	0	1	1	0	1	0	1	1	1	0	0	1	1	0	0	1	1	0	1	0	1	0	1	0	1	1	1	1	0	1	1	1	1	0	1	0	0	1	0	1	0	1	1	1	0	0	1	1	1	0	1	0	1	0	0	0	0	0	0	1	1	0	0	1	0	0	1	1	1	0	0	0	0	0	0	0	1	0	1	0	0	0	1	1	0	0	0	0	0	0	1	0	0	1	1	1	1	0	0	1	1	0	1	1	0	1	0	0	1	1	0	0	0	0	1	0	0	1	0	1	0	0	0	0	1	0	0	0	1	1	0	1	1	0	1	0	0	0	0	0	1	0	1	0	0	0	1	0	1	1	0	0	0	1	1	0	0	1	0	0	1	1	1	1	1	0	1	0	0	1	1	1	0	1	1	1	1	1	0	0	1	1	1	1	1	0	0	0	0	1	1	0	1	0	0	0	1	1	0	0	0	0	1	1	0	1	1	0	0	1	0	0	1	0	0	1	0	0	0	1	1	1	0	1	0	0	0	1	0	0	0	1	0	1	0	0	1	0	0	0	1	0	0	1	1	1	1	1	1	1	1	0	1	0	0	0	0	1	0	0	0	0	1	1	1	0	0	1	1	1	0	1	0	0	0	0	0	1	1	1	0	0	0	1	1	1	1	0	0	0	0	1	1	0	1	0	1	1	0	1	1	0	1	1	1	0	1	0	1	0	1	1	0	1	1	1	1	1	1	0	0	0	0	0	1	1	0	1	1	1	1	1	1	0	1	0	1	1	0	1	0	0	0	1	1	1	0	1	0	1	0	0	0	0	1	1	0	0	1	1	1	0	1	1	1	1	0	1	1	1	1	0	0	0	1	0	0	1	1	0	0	1	0	0	1	0	1	0	1	0	0	1	0	1	1	1	1	0	1	0	1	1	1	1	0	0	1	0	1	0	0	0	1	0	1	0	1	0	0	0	1	1	1	1	0	1	1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	1	0	0	1	1	1	0	1	1	0	1	0	0	0	1	1	0	1	0	0	0	1	0	1	0	1	0	0	0	0	1	0	1	0	0	1	1	1	1
methylmalonate 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suberate 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allo-threonine	1	1	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	0	1	1	0	0	1	1	1	1	1	1	0	0	1	0	1	1	0	1	1	1	1	1	1	1	1	1	1	0	0	1	1	0	1	0	1	0	0	1	1	1	1	0	1	0	0	1	1	1	1	1	1	1	1	1	0	1	0	0	1	1	1	1	0	1	0	1	1	1	0	1	0	1	1	1	1	1	1	1	1	0	0	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	1	1	1	0	1	1	1	1	1	1	1	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	1	0	0	1	0	1	0	0	1	0	1	1	1	1	0	1	1	1	1	1	0	1	1	0	0	1	0	0	1	1	1	0	1	1	1	1	1	1	1	1	0	1	1	0	1	0	1	1	0	1	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	0	1	0	1	1	0	1	1	1	0	1	0	1	1	1	1	1	1	1	1	1	1	0	0	1	0	1	1	0	1	1	1	1	1	1	1	0	1	0	1	1	0	1	1	1	1	1	0	1	1	0	1	1	1	0	1	1	1	0	1	1	1	1	1	1	0	1	0	0	1	1	0	1	1	1	1	1	1	1	1	0	0	1	0	1	0	1	1	1	1	1	1	0	1	1	1	1	1	1	1	1	1	1	0	1	1	1	0	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	0	0	1	1	0	0	1	1	1	1	0	0	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	1	1	0	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	1	1	1	1	0	1	1	1	1	1	1	1	1	1	1	1	0	1	0	1	1	1	0	0	1	1	0	0	1	0	1	1	1	1	0	0	1	0	0	0	1	1	0	0	1	1	1	0	0	1	1	1	1	1	1	1	0	0	1	1	1	1	1	0	1	1	1	0	1	1	1	0	1	1	1	0	1	1	1	1	1	0	1	1	0	1	1	0	1	1	0	1	0	0	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	1	1	1	1	0	0	0	1	1	1	1	0	1	1	0	1	1	1	1	0	1	1	1	1	0	1	1	1	1	1	0	1	1	1	1	1	1	1	1	1	0	1	1	1	0	1	0	1	1	1	1	1	1	0	1	1	0	1	1	0	1	1	1	0	1	1	1	1	1	0	1	0	0	1	1	1	1	1	1	1	1	1	1	0	0	0	1	0	1	1	1	1	1	1	1	0	1	1	1	1	0	1	1	1	1	1	1	0	1	0	0	1	1	1	1	0	1	1	0	1	1	1	0	1	1	0	1	0	1	1	0	0	1	0	1	1	1	1	1	1	1	1	1	1	1	0	1	0	0	1	1	1	1	1	1	0	1	0	0	1	1	1	1	1	1	0	0	1	1	1	0	1	1	1	1	1	1	0	1	1	1	1	1	1	0	1	0	1	0	1	1	1	1	1	1	0	0	1	0	0	1	1	1	0	1	1	0	1	0	0	1	0	1	0	0	1	1	1	0	1	1	0	1	1	1	1	1	1	1	0	1	1	1	1	1	1	1	1	0	1	1	1	0	0	1	1	1	1	1	1	1	0	0	0	0	1	1	1	0	1	1	1	0	1	1	1	1	1	1	1	0	0	1	0	1	0	0	1	1	1	1	1	0	1	1	1	0	1	0	0	1	1	1	1	1	1	1	0	1	1	1	1	1	1	1	1	1	0	1	1	0	1	1	1	0	0	1	1	1	1	1	1	1	0	1	1	1	0	0	1	0	1	1	1	0	1	1	1	1	1	1	1	0	1	0	0	1	1	0	0	1	1	1	1	1	1	1	1	1	1	0	0	1	1	1	1	1	1	1	0	0	1	1	1	1	1	0	1	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	0	1	0	1	1	1	1	0	0	1	1	1	0	1	1	0	1	1	0	1	1	1	1	0	1	1	1	1	1	1	0	1	1	1	1	0	1	0	1	1	0	0	1	1	1	0	1	1	1	1	0	1	1	1	1	1	1	1	1	1	0	0	0	0	1	1	1	1	1	0	1	0	1	1	0	1	1	1	1	1	0	1	1	1	0	1	1	1	1	1	0	0	1	1	1	1	1	1	1	0	1	0	1	1	1	1	1	0	1	0	0	1	1	0	1	0	0	1	1	1	1	1	1	0	1	1	1	1	1	1	1	0	1	0	1	1	1	1	1	0	0	0	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	1	0	0	1	1	1	1	1	1	1	0	0	1	1	1	0	1	1	0	1	1	1	1	1	1	1	1	1	1	0	0	1	1	1	1	0	1	1	1	1	0	0	0	1	1	1	1	0
2-isopropylmalate	1.64603779214403	0.479745776604554	1.67487035923907	0.231049005188565	1.25031076536775	0.31771136119837	0.368732318732381	2.95478035907628	4.7877869973723	0.354199914917266	5.33884668395396	0.51314205061891	0.2755772059166	2.21772616743987	1.07511527904464	0.308398689386851	1.37961693787759	0.246059751427885	0.994198822002728	1.29150431820285	0.783025608976327	0.729802170987797	1.38743802518995	1.06899070798264	2.47538355329277	2.8288107448837	2.45053969739779	1.08426483786261	2.49864134066911	3.09554938025531	0.678287939159439	0.506372079749437	0.9605776628478	1.56109342995553	1.75937186582388	45.7614040902222	1.86948632694552	0.478387406144294	0.418399530336849	3.40444698121864	1.24156136723928	5.03035253885731	0.920644324589892	0.186168886114896	0.845254342457186	0.758055237357658	0.429119513334413	3.03395810302044	0.770979902277807	0.508057859538078	1.48810254408908	7.32902208275005	1.08217292002696	1.35055998598269	1.34128023399186	15.2894223905365	1.88050879759614	0.257712953685805	5.278802246873	2.04375726956317	0.661999881305015	1.04562991961403	2.03378806705646	1.14810578830057	0.338466166498222	7.01086980147242	0.878289597213008	0.251542933873571	0.929032244222794	0.550815955656625	1.58879453400947	0.417681219769461	1.06955710371852	1.4905960581086	0.823523345502928	0.793411252068666	20.9302075674453	2.82666179068884	1.08319714168313	0.531391909519786	9.80285748346381	1.80036410579695	2.51428344357464	1.59863488889136	1.56569216888312	3.82073035084743	1.47053045874825	0.954460950661298	0.675608567084436	6.70029690221283	0.306876537411403	0.575960213411089	1.49269429692505	1.26971416713465	0.31539418914033	28.1489966295423	0.260651621829584	2.12697041601352	0.266016189814762	0.435459130602186	0.889836116138602	0.75600869234109	1.0641935853329	1.21745755730006	1.54317128683255	19.4142862737324	2.72321389783023	0.8542068821932	0.923793316459007	7.966535466905	4.60651683914448	0.885335851388824	0.971131057487645	0.461608932977382	66.0581964766857	2.69703875431337	1.06935680033295	1.47644855814274	0.393900544063847	0.316802856419197	1.1173430351807	2.11068828865279	1.35931883968589	0.564589293228275	39.7825267277	0.468496516633322	0.253288349321182	2.27199556299763	1.51767843808428	1.21487336399137	1.07872532895588	0.324932356033047	0.755269821339019	0.219895782573396	1.70238666086334	0.467088989344501	1.77854771917368	0.617509448161176	0.512842035971156	1.25931348115465	7.0796563836778	0.889147707487486	0.356537663425823	1.04598551498312	0.40951820155554	0.794324048017282	29.4755605420617	0.408388213151649	0.180782249645072	1.21027706524938	0.484614745481672	2.08668777290552	1.49945575430076	9.72412128306075	0.351056134769594	0.184237360171657	0.301449370198177	0.953443780794511	0.140911940836606	1.07018765980808	1.1392992356256	2.08007609299646	1.10552831985634	0.628806422932776	0.570079093654784	3.73480870723199	0.802254558755431	7.4422112737431	1.55105835340471	0.8141501053016	0.444906690646815	0.39198406480066	1.55509227289685	2.45106618980088	11.4204633947361	0.423834280551004	18.1157216599907	1.30481347350292	1.37243401113438	0.314275784453794	0.750589739791993	0.6639392110855	0.172287352021779	0.557494662538789	0.84597825467207	0.463319676714978	0.653643592872972	5.57585935292492	1.86408742696474	7.48619774074569	0.196257125632108	32.559293567401	0.32482559271854	13.038994683878	0.460522815073617	0.339472452186489	0.463554404763229	0.39726221249849	0.968190770630274	5.86592911903304	0.206366404924583	7.41589008312982	0.525047533387223	18.0672969953739	1.5611059502342	1.18102837291738	0.408406018944936	0.404794323568702	0.378940602849406	0.470911452330035	10.9339643157754	4.65943865346595	0.487632918316074	1.99880982035474	1.19835281622748	7.49045114341195	0.455341825558926	0.281052952269797	0.486415853225594	0.952892198208344	2.64616147663326	13.6366836064862	0.612181862483912	1.67515431271039	0.360828995329044	7.47445233481973	0.408187999770212	1.09026837646079	0.892490014254227	0.905383977651804	0.647766979943374	2.27300724618931	0.50183115372437	0.59941405332765	0.325140435739134	0.284486684237001	1.94760986012389	13.9630826298771	0.292039243336157	0.379946560403978	1.02711119311563	0.877779359359717	2.41263404833978	1.2083878027695	0.619044826641404	0.67718234254646	1.25913045695162	0.852735429091972	0.60857098908854	1.03962712781087	0.939572824161796	0.128894679194505	0.63920640712095	0.706541796797828	0.303208757704535	0.650872261963018	0.437701214297636	0.70019110098007	1.29931615471593	1.77349474157052	1.20859299750216	1.41412124255375	21.900847476047	2.51308761635336	1.18691725591684	7.03799894789411	1.83714412528044	0.753739582897879	0.596371693567246	0.30160405870192	1.01745204742878	2.05025702901195	0.965403668125242	0.738849984837907	0.431043230717654	0.946043917100676	0.918656353784465	1.39610566214764	0.420600513611188	0.871227697214927	0.940999100744435	34.7006838452841	0.43673375624814	60.3610171873357	1.48182599868356	0.767694685324288	1.72820683466454	18.907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sebacate 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N2-acetyllysine	1	1	0	0	1	1	0	0	1	1	0	1	0	1	1	1	0	0	0	0	1	0	0	0	1	1	1	1	1	0	0	0	1	1	0	0	1	1	1	1	1	1	1	0	1	1	0	1	1	1	1	0	0	0	1	0	1	0	1	1	1	1	0	1	1	0	0	1	0	1	1	0	0	0	1	1	1	1	0	1	0	0	1	0	1	1	1	1	0	1	1	0	0	1	1	1	1	0	0	0	0	1	1	0	0	0	1	1	0	1	1	1	1	0	1	0	1	1	1	1	1	1	0	0	0	1	1	1	1	1	1	0	0	1	0	1	1	0	1	1	1	0	1	1	1	0	0	1	1	0	1	1	1	1	0	0	1	1	0	1	1	1	1	1	0	1	1	0	1	1	0	1	1	0	0	0	0	0	1	0	1	1	1	1	1	1	0	0	1	1	0	1	1	1	0	1	0	0	0	1	0	1	1	0	1	1	0	0	1	0	1	0	0	1	1	0	0	0	0	1	0	1	1	0	0	0	1	1	1	1	1	0	0	0	0	1	1	1	1	1	1	1	1	1	1	0	0	0	1	1	1	0	1	1	1	1	1	0	1	0	1	1	0	1	1	1	1	1	0	0	1	0	1	1	0	0	0	1	1	1	0	1	0	1	0	1	0	1	1	0	1	1	1	1	1	0	1	1	0	0	1	0	1	0	0	1	0	0	0	1	0	1	0	0	1	0	1	1	0	0	0	1	1	0	0	1	1	0	0	1	1	0	1	1	0	1	1	0	0	0	1	0	0	1	1	1	0	1	1	1	0	0	0	0	1	1	0	0	0	1	1	1	1	1	1	1	0	1	1	0	1	1	0	1	0	0	1	1	0	0	0	1	0	0	1	0	1	0	1	0	0	1	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0	0	1	0	1	1	1	1	1	0	1	0	1	1	1	1	0	1	1	1	0	0	0	0	0	0	1	1	0	0	0	1	0	1	1	1	0	1	0	0	1	1	0	1	0	0	1	1	0	0	0	1	1	0	1	0	0	0	1	1	1	0	1	0	1	0	0	0	1	0	1	1	0	0	1	1	0	0	1	1	1	1	1	0	1	1	1	1	0	1	1	1	1	1	1	0	1	1	1	1	0	1	1	1	1	0	1	1	1	0	0	1	1	1	1	0	1	1	0	1	1	1	1	0	1	1	0	0	0	1	1	1	1	1	1	1	1	0	1	0	0	0	1	0	1	1	0	0	0	0	0	1	1	0	1	0	1	1	1	1	0	0	1	0	1	1	0	0	1	0	1	1	0	0	1	0	1	1	1	1	1	0	0	1	1	1	1	0	1	1	1	1	1	0	0	1	1	1	0	0	0	0	1	1	0	1	1	0	0	0	1	0	1	1	0	0	0	0	1	1	0	0	0	0	1	1	1	1	0	1	1	0	1	1	0	1	0	0	1	1	0	1	1	0	0	1	1	0	0	0	1	0	0	0	1	0	1	0	1	0	0	0	1	1	1	1	0	1	0	0	0	1	0	1	0	1	1	1	1	0	1	0	0	1	0	1	0	1	0	1	1	1	1	0	1	1	1	1	1	0	0	0	0	0	1	1	1	0	0	0	1	0	1	0	1	0	1	0	0	0	1	1	0	0	1	0	1	0	1	1	1	0	0	0	1	0	1	0	0	1	0	1	1	1	1	1	0	0	0	0	0	1	1	1	1	1	0	0	1	0	0	0	0	0	1	0	0	0	1	1	0	0	0	1	0	0	1	1	1	0	0	1	1	0	1	0	1	0	0	1	0	1	0	0	0	1	0	1	0	1	0	1	1	0	1	1	0	1	1	0	1	1	1	0	0	1	0	0	0	0	0	1	0	0	1	1	1	0	1	1	0	0	0	0	1	1	0	1	0	1	0	1	1	0	1	0	0	0	0	0	1	1	0	1	1	0	1	1	0	0	1	1	1	1	0	0	0	0	0	1	1	0	0	0	0	1	0	1	1	0	0	1	1	1	0	1	0	1	0	0	0	0	1	1	1	0	0	1	0	1	1	1	0	1	1	1	0	1	1	0	0	0	1	1	1	1	0	0	1	0	1	0	1	1	1	0	1	0	1	1	0	1	1	1	1	1	1	1	0	1	0	0	0	1	1	1	1	0	0	0	0	1	0	1	1	1	0	1	1	1	1	1	0	0	0	0	0	0	1	1	1	1	0	0	0	1	1	1	1	1	1	1	1	1	1	1	1	1	0	0	1	1	0	1	1	1	1	0	0	0	0	0	0	1	0	0	1	0	1	1	1	0	0	1	1	0	1	0	0	0	1	1	1	1	1	0	1	1	1	1	0	1	1	1	1	0	1	1	1	0	1	0	0	0	1	1	0	1	0	1	0	1	1	1	0	1	0	1	1	1	0	0	1	0	1	1	1	0	1	0	1	1	0	1	1	0	1	0	0	1	1	1	1	1	1	0	1	0	1	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	0	1	1	1	1	0
mannitol/sorbitol	2.18730804895926	10.5181079544108	3.13186104844419	0.857853996513572	2.18310089740962	0.437287521798273	13.8751842798929	0.599811838854257	0.509229235171437	3.50994212114757	2.10023351536215	0.467797047377733	0.642939108125289	0.995718530240663	1.35940330874512	0.615222929834035	0.642180344672326	0.864805009344639	1.33442071186083	1.21949308926516	0.544627807144014	4.39528382571279	0.374800425670363	1.50559832792806	5.01177254626105	6.70150542758333	0.815233103213949	0.584162981714993	4.20570397496645	0.424589038426601	1.92194775181518	0.665001840713445	0.381091050157929	0.661311302675089	0.901328475657564	0.829917176577706	0.907898988081709	1.80848965011232	0.374131098290614	2.66275519571662	0.890665016803361	0.516817235718399	0.346665022676865	0.636745913274727	0.455996124733624	1.60204372368022	34.659190867791	0.488801127222511	0.340839204610145	2.31473231936495	2.20760555590266	1.53697447203631	0.617336020713845	1.07306286395036	1.33326708803845	9.88938806603615	0.581679618189563	0.561661369810397	46.7507458579269	1.06473911149439	1.21384361803327	6.31376520399682	2.11244171982199	1.30690415597958	0.380075961622614	0.478314285959015	0.409674280799045	0.378973942265805	2.11065101770885	0.355960600931483	2.09351987232819	3.82008203006075	0.650501219349263	0.742693838741632	7.29049254424101	2.92850837970276	0.409902734619674	1.38278049120228	0.728876541207223	2.8285590305323	15.1790200713007	3.1958085535537	0.961224481641913	1.03719187823687	2.91834546278927	2.55492127136511	1.18208178717816	0.270362941352742	0.541385951129071	0.961184965928117	0.479931741779882	1.54524257032942	1.20033497334933	1.29021669437505	0.737013676324972	0.53873438749574	0.635943175855963	0.316680252782463	0.43991518199992	0.602748045981437	1.71137376090184	0.472305598983913	3.09676331133085	0.728173002759941	1.00064974268582	4.67058479209822	0.777776055549181	1.87937660029429	1.37945340019616	1.07273041262575	3.82871297374668	0.737885460750862	0.824999278582679	0.492827565496931	10.2318097570848	0.639233055888838	0.307493333986188	4.04477575922085	1.04432601978683	0.354510318218068	0.267992623576165	5.86274554686067	10.0926056806915	1.30625243754741	0.53118287049595	0.593118997132143	1.10129237084026	2.47181200160258	13.4692018585703	5.41361266124073	0.559971170427824	0.587843404893068	1.22227191816261	3.44191122056169	0.60632910188068	1.00201612716814	2.02988975302449	0.547035534890337	0.999350257314175	0.538632645475783	3.96585482575862	0.545175807469706	0.36130571988121	0.569121463400993	0.345823137590632	0.669770481573131	1.37245788615692	1.61179650308881	1.36383360099822	0.786768396440288	13.6643930740781	2.00800663254355	2.14757237222286	2.72996083589163	0.714655549953455	8.24710712320426	0.979847320441219	0.751558527281644	4.62077165032317	0.977460112363597	0.849898062763252	0.694987082891321	6.89980181541771	0.590279132389532	3.56147004382963	9.17324669940942	3.32412549675056	2.40151113476982	3.90178202159036	1.04948932870783	0.543166306647725	0.324652701584699	0.422046393659854	0.806269495373769	0.601361408670973	2.16412722770655	1.46616664033726	0.643414096696511	0.3555746879901	0.735534933758363	7.62829007224208	7.2679904239337	0.806418376416178	0.625604635812259	25.1740368768742	5.78647256846126	3.84250403179204	1.4262211352165	1.19508006840106	1.34204496075615	0.507623291299217	9.2265280457471	0.518766139612157	0.836995299242302	5.38949347889866	8.95552833789521	0.351594307817831	9.93243512768976	2.20832047838976	5.16754213637039	0.307914593592871	7.02183184958804	1.02468006707238	0.647914077849015	9.29296881733475	12.6047103867735	0.410685546582853	0.421526882391031	0.4279547301322	0.522223593317983	2.04219119096046	0.717212044700883	3.17148502626901	0.432482214774051	4.60136832097098	0.697095484574954	0.561357090887344	1.11697642434324	0.89298213437205	0.408787990656364	2.4654233491204	3.13275028428892	0.42999897991368	1.17586221049273	0.835498917733682	3.33743259218097	0.469159447750065	3.34527495640161	0.5574635328071	0.850098234065078	0.72332657070972	2.72273904247991	0.393120985367995	0.707771963030991	1.70226057683953	1.98043828542325	10.39616754828	0.438448306825153	1.35137930837763	0.397763898179343	0.491470822375655	1.18683119006386	1.32200619384813	4.78377766532558	0.365476727877988	3.57647894311039	0.492287011844077	0.922228049425779	0.575911024973107	4.68363885068867	0.412237139156032	0.524608280509597	0.548315581965108	6.59771216871225	0.376326918767499	0.645576696331634	0.389981901203248	0.866450983867778	0.572757956320032	4.86240722865671	0.79664317458626	1.16223524411176	2.24625318436171	3.22050453101638	0.907460411217007	1.33784237337861	10.9351099473826	3.86284181958324	0.440616820461353	0.199409260006449	1.00723204731504	0.453505863640381	4.18757222997662	1.79021869509806	2.90170203861669	0.502903895975986	0.370266515504921	2.27260090018849	0.59308140447406	0.392367941997715	0.60536133189106	0.330477423824168	0.277094904917275	0.764378022073332	1.96884383605627	0.846669298315615	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1-stearoyl-2-oleoyl-GPG 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oxypurinol	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.864318368887064	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.991289588581893	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.05040198425384	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.36682132588112	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	1.13568163111294	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.0152566805742	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.12725701041976	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.00871041141811	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.872742989580239	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.950468216472361	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.03482220510948	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.850435394844583	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.984743319425802	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.836188814123601	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
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4-hydroxy-2-oxoglutaric 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2-hydroxybutyrate/2-hydroxyisobutyrate	0.911256241406759	1.31092657830767	1.30313571130071	0.364333635415426	1.00463159010736	0.548867073442941	0.309648691150458	0.807236578423502	0.751653477242313	0.800730060330249	0.938094110974002	0.6039993737777	0.676960646978139	1.08080080382606	1.2297045479317	1.82215328695499	0.898106614462758	1.29655906948746	1.17920074683086	1.20402627572886	1.3108986217849	0.642518023863133	0.304882738573961	1.15514877982954	0.658114361256334	0.988784159500794	0.335495262325418	1.83350025425679	2.27820196268533	1.41285383739835	1.72716720937363	2.38807689531637	0.98626723664241	0.817210252629971	1.01269985151757	0.865407658855524	0.599509802020927	0.76087011793102	0.560913812641196	0.531494963133564	1.0925055024783	0.971272143732459	1.29829778601838	0.174148696389792	1.10732459737399	0.847455308602736	2.29366477787344	1.10498584925284	1.30993685559067	1.35887040923259	1.1674883070601	2.13235627948339	0.934416251921185	2.08141184008307	1.61091472367827	1.54350036034002	0.938736064236337	1.06537342717794	3.20347699788426	0.620441494731264	1.0680034648502	1.25431315714006	1.02075104866274	0.888296351071399	0.967346460723695	0.489273296001873	0.342074225831883	4.19901943050005	2.08279082004215	1.46382208314567	1.5796705252098	1.79741816678725	0.893376431960766	1.05907120521015	0.602854117687548	0.524358391425654	0.738964784127061	0.816635224275767	1.48912003383497	1.88311935368591	1.13406918696133	2.33466374845551	1.32990808169568	0.882546422506662	1.20768378874656	1.16843640532493	0.588545519150612	2.58468875737689	1.24057040921883	0.752357572245912	1.75955546979065	1.50203762150897	2.14054609674279	0.81052444102925	0.803299631084051	1.07786081426543	2.06027707909135	1.46831531840777	1.0471514114629	1.14007645317863	0.562126461546289	0.906339097248165	2.87563512862445	0.519646515439752	0.539621368632732	1.18477585224008	0.691343426790275	0.531652247442464	1.00384427026396	0.824111517208377	1.63135743402971	1.36745875914267	1.16226208034957	1.22416407750807	1.58258006927561	0.362542390500602	1.00247351721518	2.87185359395143	0.913106233966649	1.05202073500521	1.65040231805062	1.51383552640344	1.74095142620661	0.434025511440137	0.894315468772195	1.3297240945649	1.72653821362429	0.997526482784816	0.589548059167062	0.424734457411311	0.906157951217819	1.04455359587599	0.858251886964972	1.17724837803158	0.386870231002404	1.52624987136247	1.15228060801608	0.898096440091348	1.46564740929664	2.45693690032847	0.821723878563708	0.625953337128731	1.45370434707774	0.702178260478504	0.605898784435457	1.06610139886262	1.00428219045239	1.53341347023065	1.69768665981975	1.81127933570493	1.25786631008662	2.38782845812528	1.87244488476565	0.707295263097239	1.09495928867052	0.536521735491066	2.39082122306822	1.01898304380905	0.385073020571059	0.715943344932328	0.786424853083535	1.77618386842269	0.761079426662801	0.638401196186602	0.712114680351327	0.791972888590862	0.564941993626723	0.821479615194606	1.52669905492079	1.07003371205067	1.48023486843616	3.63305401038483	1.1099181613139	0.864475059532723	0.856458459983675	1.64386469146392	1.82398205113281	0.898794666727053	0.75143065943171	2.44545863451555	1.68661747943122	0.99571780954761	1.89895977244444	2.03672178030055	0.931355565765452	1.5284952199498	0.887536686097601	0.549423892243021	1.26337555214112	1.18403918961183	0.837663214375887	1.38179404094738	1.19648495752077	0.779409193347545	0.880313023568795	0.70267643968128	0.750269167394826	1.26953677556729	1.09369206861184	0.960387101226706	0.797308935771907	0.925346566750834	1.49434862825422	0.619385734987284	0.597056192322806	0.458764514725698	1.10162606438558	1.15655595996399	0.992217706735411	0.879716557513908	0.695823210379448	1.07685464574978	0.873938489739419	1.56102343855596	0.610165295063814	1.07003537132182	0.562354051730035	0.708076920061774	0.818261793489854	0.836497260883432	0.968783907803428	1.43709983484005	0.596824893092169	0.928159690351044	1.13425991074932	0.658438429580569	1.36365198423084	1.07728983621917	1.39941019878696	1.7499752435688	1.10068012861482	1.9722246284811	1.10514487440209	0.962646479362454	1.47420054640061	0.845874383941186	1.47674156998333	0.639110057412465	1.4029035247769	1.10451268035305	1.07130642937371	0.800260279892893	0.411693729513579	3.15218340631315	1.94755491535438	0.749008760570063	1.16536069721554	1.00471083717706	0.557818293912006	0.988678090565324	0.987399269485428	0.379775482626463	0.555808823599597	1.18460005066662	0.891379425560077	1.58065815181996	0.727266550294926	0.743702379459454	0.843864662356488	1.41973598349382	0.46472641603226	0.725370742091887	1.42907426329997	1.75437234670846	3.12927111699052	1.7038312142365	1.55945494275364	3.13122132571098	3.95626021238001	1.12097292985076	0.948678483213193	1.17066584084295	1.61575311754481	0.77408106927392	0.831122649170627	0.569451637389451	1.47894783842547	2.05584249557688	2.53628844344743	1.27813487886021	1.03417635760644	1.46493142837422	1.64765712680768	0.954975896292012	1.23742886872208	1.27039885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1-linoleoyl-GPA (18:2)*	1	1	1	0	0	1	1	1	0	1	0	0	0	1	0	1	0	1	1	0	1	1	0	0	0	1	1	1	1	0	0	1	0	1	0	0	1	1	1	1	0	1	1	1	1	0	0	1	0	1	0	0	0	1	0	0	0	0	1	1	1	1	1	1	1	0	1	1	0	1	0	1	0	0	1	1	0	1	0	1	1	1	1	0	1	1	0	1	0	1	0	1	0	1	0	1	1	1	0	0	1	1	1	0	1	1	0	1	1	0	0	1	0	1	0	0	1	1	1	0	1	1	0	1	1	0	1	1	0	1	0	1	0	1	1	0	0	1	1	0	1	1	1	1	1	1	0	1	1	1	1	1	1	1	1	1	0	1	1	0	1	1	1	0	1	1	1	0	1	1	0	0	0	0	0	1	0	0	0	0	1	1	1	1	0	0	1	0	0	1	0	1	1	1	1	0	1	0	0	1	0	1	1	0	1	1	0	0	1	1	0	1	0	1	1	1	1	0	0	1	0	1	0	0	1	0	0	0	1	0	1	1	1	1	1	1	1	1	1	0	0	1	1	1	0	1	0	0	1	1	0	1	1	1	1	1	1	1	1	0	1	0	0	1	0	0	1	0	0	0	1	1	1	0	1	0	0	0	1	1	0	1	1	0	0	1	1	1	1	0	1	0	1	1	0	1	1	1	0	0	0	1	1	0	1	1	0	1	0	1	0	1	0	0	0	0	0	1	1	1	1	1	1	0	1	1	1	1	0	0	1	0	1	1	1	0	1	0	1	0	0	0	0	1	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	1	0	1	1	0	1	1	0	0	1	0	0	1	0	0	0	1	1	1	0	0	1	1	1	1	1	0	0	1	0	1	1	1	0	0	1	0	1	1	1	0	1	0	0	0	1	1	0	1	1	1	1	0	1	1	1	0	1	1	0	0	1	1	1	1	0	1	0	0	1	1	1	0	1	0	1	0	1	0	1	0	0	1	1	1	0	0	1	0	1	1	0	1	0	0	0	0	1	0	1	1	0	1	0	1	1	1	1	1	1	1	0	1	1	1	1	1	0	1	1	1	1	0	1	0	1	1	1	1	0	1	0	0	1	0	1	0	1	1	1	1	0	1	0	1	1	0	0	1	1	1	1	1	0	0	1	0	1	1	1	1	1	0	0	1	0	1	1	1	1	1	0	1	0	0	1	1	1	1	1	1	1	1	0	0	1	1	0	1	0	1	1	1	0	0	0	1	0	1	0	1	1	1	1	0	0	1	1	0	0	0	1	0	0	1	1	0	0	1	0	1	1	1	0	1	1	1	1	1	0	0	0	1	0	1	0	0	1	1	1	1	1	1	0	0	1	1	0	0	1	0	1	0	1	1	0	0	1	1	1	0	1	1	1	1	1	1	1	1	1	0	1	1	0	1	1	1	0	0	0	1	0	1	1	0	0	1	1	1	0	1	0	0	0	1	1	0	1	1	1	0	1	1	0	1	1	1	0	0	1	1	1	0	1	1	0	1	1	1	1	1	1	1	1	1	0	1	1	0	0	1	0	1	1	1	1	1	1	1	1	1	0	1	1	0	1	0	0	1	1	1	0	1	1	1	0	1	1	0	0	1	0	1	1	1	0	1	0	1	0	1	0	1	1	0	1	0	1	0	1	1	0	0	1	0	1	1	0	1	0	0	0	1	1	0	0	1	1	1	1	1	0	1	1	0	1	1	1	1	1	1	0	0	1	1	0	1	1	1	0	1	1	0	1	1	1	0	1	1	1	0	0	0	1	0	0	0	1	1	1	1	1	0	1	0	1	0	1	0	0	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	1	1	1	1	1	0	1	1	0	1	0	0	1	1	1	1	1	0	1	1	1	1	0	1	0	0	1	1	0	0	0	1	1	1	1	1	1	1	0	0	0	1	0	1	0	0	0	1	1	1	1	1	1	0	0	0	0	0	1	1	1	1	0	0	0	0	0	1	1	0	0	1	1	0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0	0	1	1	0	1	0	1	0	1	1	0	1	0	1	1	1	1	1	0	1	0	0	1	0	0	1	0	0	1	1	1	0	1	0	0	0	1	1	0	1	0	1	1	0	0	1	1	1	0	1	1	0	1	1	1	1	1	0	0	0	0	1	1	0	0	0	1	1	0	0	0	1	1	0	1	0	1	1	1	1	0	0	0	1	1	1	1	0	1	1	1	1	1	0	1	1	1	1	1	0	1	1	0	0	1	1	0	1	1	1	1	0	0	1	1	1	0	1	0	1	0	0	1	0	0	0	0	1	0	1	1	1	0	0	0	1	0	1	1	1	1	1	0	0	0	1	1	0	0	0	1	1	1	1	0	1	0	1	1	1	1	0	1	1	0	1	1	1	1	1	1	1	1	1	0	1	0	0	1	1	1	1	1	1	1	1	0	1	0	1	1	0	0	0	0	1	1	1	1	0	0	1	1	0	0	0	1	0	1	1	0
isocitric 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caffeic acid 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perfluorooctanesulfonate 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heptenedioate 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carboxyibuprofen glucuronide*	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	1	0	0	1	1	0	0	0	1	1	0	0	1	0	0	0	1	1	1	0	1	0	0	1	0	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	1	0	0	1	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	0	1	1	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	1	0	0	0	1	0	0	1	1	0	1	0	1	0	1	0	0	1	1	0	0	0	0	0	0	0	1	0	0	1	1	0	1	0	1	0	0	0	1	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	1	1	0	0	1	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	1	0	1	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	1	0	0	1	1	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	1	0	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	0	1	0	0	1	0	1	0	1	0	0	0	0	1	0	0	0	0	1	1	0	0	0	0	1	0	0	0	0	1	1	0	0	0	0	1	1	0	0	1	0	1	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	1	1	0	1	1	0	0	1	0	1	0	0	1	0	1	0	0	0	0	0	1	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	1	0	0	0	1	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	1	1	0	0	0	1	1	0	0	0	1	0	0	0	0	1	1	1	0	0	0	1	0	1	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	0	1	0	0	1	1	0	0	1	1	0	1	0	0	0	0	0	0	1	0	0	1	1	1	0	0	0	0	0	0	0	0	1	0	1	0	0	0	1	1	0	0	0	0	0	1	1	1	1	0	0	0	1	0	1	0	0	0	1	1	0	1	1	0	0	0	0	1	0	0	0	0	1	0	1	0	0	0	0	0	1	1	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	1	0	0	1	0	0	0	0	1	1	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	1	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	1	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	1	0	1	0	1	0	1	1	0	0	1	0	0	0	0	0	0	0	0	1	1	0	1	1	0	0	1	0	0	0	0	1	0	0	0	1	1	0	0	0	0	1	1	0	1	0	1	1	0	0	0	0	1	1	1	1	0	1	0	0	0	0	1	0	0	0	1	1	1	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	1	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	1	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	1	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	1	0	0
fibrinopeptide B (1-12)**	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.336762712863119	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.997459093724135	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.863265859879525	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.672947305584197	NA	NA	2.53156561192623	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.410512036925	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.920988811909268	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	17.4758018125577	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2.08972466762746	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.45512933828295	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	21.3676344494492	NA	2.541630998778	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.589487963074997	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.0805607027152465	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
fibrinopeptide B (1-11)**	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.608538320025793	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2.76894190832021	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.45197099476645	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.05683498966052	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.39146167997421	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.943165010339483	NA	0.711178545313703	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.54802900523355	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA

metabolite_name	CHEM_ID	LIB_ID	COMP_ID	CHRO_LIB_ENTRY_ID	SUPER_PATHWAY	SUB_PATHWAY	PATHWAY_SORTORDER	INCHIKEY	SMILES	CAS	CHEMSPIDER	HMDB	KEGG	PUBCHEM	PLATFORM	miss_pct	imputation
alpha-ketoglutarate	93	305	528	146398	Energy	TCA Cycle	1446	KPGXRSRHYNQIFN-UHFFFAOYSA-N	O=C(C(O)=O)CCC(O)=O	328-50-7,22202-68-2,305-72-6	50	HMDB0000208	C00026	51	Polar	0	KNN
3-hydroxyisobutyrate	111	305	1549	147711	Amino Acid	Leucine, Isoleucine and Valine Metabolism	428	DBXBTMSZEOQQDU-UHFFFAOYSA-N	CC(C(O)=O)CO	2068-83-9	10140307	HMDB0000023,HMDB0000336	C01188,C06001	11966314	Polar	0.0325704225352113	KNN
3-hydroxy-3-methylglutarate	112	305	531	146400	Lipid	Mevalonate Metabolism	3176	NPOAOTPXWNWTSH-UHFFFAOYSA-N	CC(CC(O)=O)(CC(O)=O)O	503-49-1	4573695	HMDB0000355	C03761	1662,5459993	Polar	0.0132042253521127	KNN
succinate	252	305	1437	147106	Energy	TCA Cycle	1449	KDYFGRWQOYBRFD-UHFFFAOYSA-N	OC(CCC(O)=O)=O	110-15-6	1078	HMDB0000254	C00042	1110	Polar	0.00176056338028169	KNN
3-hydroxybutyrate (BHBA)	254	305	542	145710	Lipid	Ketone Bodies	1939	WHBMMWSBFZVSSR-UHFFFAOYSA-N	CC(O)CC(O)=O	625-72-9	428	HMDB0000442,HMDB0000357,HMDB0000011	C03197,C01089	94318,441,92135	Polar	0.00616197183098592	KNN
fumarate	330	305	1643	146876	Energy	TCA Cycle	1450	VZCYOOQTPOCHFL-OWOJBTEDSA-N	OC(/C=C/C(O)=O)=O	100-17-8	10197150	HMDB0000134	C00122	444972	Polar	0.0132042253521127	KNN
gluconate	338	305	587	147098	Xenobiotics	Food Component/Plant	4806	RGHNJXZEOKUKBD-SQOUGZDYSA-N	OC([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O	527-07-1	10240	HMDB0000625	C00257	10690,3085666	Polar	0.000880281690140845	KNN
glutarate (C5-DC)	339	305	396	146390	Lipid	Fatty Acid, Dicarboxylate	1660	JFCQEDHGNNZCLN-UHFFFAOYSA-N	OC(CCCC(O)=O)=O	110-94-1	3618533	HMDB0000661	C00489	743,4418048	Polar	0.0492957746478873	KNN
guanidinoacetate	344	305	43802	147630	Amino Acid	Creatine Metabolism	527	BPMFZUMJYQTVII-UHFFFAOYSA-N	NC(NCC(O)=O)=N	352-97-6	743	HMDB0000128	C00581	763	Polar	0.000880281690140845	KNN
myo-inositol	363	305	1124	145716	Lipid	Inositol Metabolism	2202	CDAISMWEOUEBRE-GPIVLXJGSA-N	O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O	87-89-8	10239179	HMDB0000211	C00137	892	Polar	0	KNN
2-aminoadipate	381	305	6146	147948	Amino Acid	Lysine Metabolism	123	OYIFNHCXNCRBQI-UHFFFAOYSA-N	OC(CCCC(N)C(O)=O)=O	1118-90-7,542-32-5	456	HMDB0000510	C00956	92136	Polar	0.198943661971831	KNN
lactose	393	305	567	147468	Carbohydrate	Disaccharides and Oligosaccharides	1305	GUBGYTABKSRVRQ-DCSYEGIMSA-N	O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O	5965-66-2	5904	HMDB0041627	C01970	6134	Polar	0.492077464788732	Present/Absent
methylmalonate (MMA)	418	305	1496	145730	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	1775	ZIYVHBGGAOATLY-UHFFFAOYSA-N	O=C(C(C(O)=O)C)O	516-05-2	473	HMDB0000202	C02170	487	Polar	0.051056338028169	KNN
orotate	445	305	1505	146440	Nucleotide	Pyrimidine Metabolism, Orotate containing	4208	PXQPEWDEAKTCGB-UHFFFAOYSA-N	O=C(C1=CC(O)=NC(O)=N1)O	50887-69-9	942	HMDB0000226	C00295	967	Polar	0	KNN
salicylate	501	305	1515	164364	Xenobiotics	Drug - Topical Agents	5961	YGSDEFSMJLZEOE-UHFFFAOYSA-N	OC1=C(C(O)=O)C=CC=C1	69-72-7	331	HMDB0001895	C00805	338	Polar	0	KNN
glucose	572	305	48152	151982	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1223	WQZGKKKJIJFFOK-DVKNGEFBSA-N	O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	50-99-7	71358	HMDB0000122	C00031	5793	Polar	0	KNN
alpha-ketobutyrate	796	305	4968	152126	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	454	TYEYBOSBBBHJIV-UHFFFAOYSA-N	OC(C(CC)=O)=O	600-18-0	2829426	HMDB0000005	C00109	58	Polar	0.0167253521126761	KNN
mannose	803	305	48153	152039	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1353	WQZGKKKJIJFFOK-DXQLJALPSA-N	O[C@@H]1C(CO)O[C@@H](O)[C@@H](O)[C@H]1O	3458-28-4	141983	HMDB0000169	C00159,C02209,C00936	82308,439680,185698,18950	Polar	0	KNN
uracil	825	305	605	146422	Nucleotide	Pyrimidine Metabolism, Uracil containing	4221	ISAKRJDGNUQOIC-UHFFFAOYSA-N	O=C(NC=C1)NC1=O	66-22-8	1141	HMDB0000300	C00106	1174	Polar	0.0801056338028169	KNN
xylose	826	305	15581	146484	Carbohydrate	Pentose Metabolism	1267	PYMYPHUHKUWMLA-VPENINKCSA-N	O=C[C@@H]([C@H]([C@@H](CO)O)O)O	609-06-3	85957	HMDB0000098	C00181	135191	Polar	0.147887323943662	KNN
arabinose	828	305	575	146408	Carbohydrate	Pentose Metabolism	1269	SRBFZHDQGSBBOR-SQOUGZDYSA-N	O[C@@H]1CO[C@@H](O)[C@@H](O)[C@@H]1O	28697-53-2	59687	HMDB0029942	C00216	66308	Polar	0.0686619718309859	KNN
fructose	878	305	48195	153126	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1347	RFSUNEUAIZKAJO-ARQDHWQXSA-N	OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	57-48-7	5764	HMDB0000660	C00095	2723872	Polar	0.00176056338028169	KNN
maltose	913	305	15586	146486	Carbohydrate	Glycogen Metabolism	1300	GUBGYTABKSRVRQ-ASMJPISFSA-N	O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O)O)O)O	6363-53-7	388469	HMDB0000163	C00208	10991489	Polar	0.171654929577465	KNN
dihydroorotate	923	305	601	145712	Nucleotide	Pyrimidine Metabolism, Orotate containing	4207	UFIVEPVSAGBUSI-UHFFFAOYSA-N	O=C(C(NC1=O)CC(N1)=O)O	155-54-4	628	HMDB03349	C00337	648	Polar	0	KNN
sucrose	935	305	1519	147116	Carbohydrate	Disaccharides and Oligosaccharides	1326	CZMRCDWAGMRECN-UGDNZRGBSA-N	OC[C@]1(O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]([C@@H]([C@@H](CO)O1)O)O	57-50-1	5768	HMDB0000258	C00089	5988	Polar	0.0105633802816901	KNN
allantoin	1002	305	1107	146424	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4134	POJWUDADGALRAB-UHFFFAOYSA-N	O=C(N1)C(NC(N)=O)NC1=O	97-59-6	199	HMDB0000462	C02348,C01551,C02350	439714,204,439713	Polar	0	KNN
xanthine	1004	305	3147	147146	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	4122	LRFVTYWOQMYALW-UHFFFAOYSA-N	O=C(N1)C(N=CN2)=C2NC1=O	69-89-6	1151	HMDB0000292	C00385	1188	Polar	0.000880281690140845	KNN
glycerate	1052	305	1572	146444	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1243	RBNPOMFGQQGHHO-UHFFFAOYSA-N	O=C(O)C(O)CO	600-19-1	732	HMDB0000139,HMDB0006372	C00258	439194,752	Polar	0	KNN
N-acetylalanine	1110	305	1585	147717	Amino Acid	Alanine and Aspartate Metabolism	31	KTHDTJVBEPMMGL-VKHMYHEASA-N	O=C(O)[C@@H](NC(C)=O)C	97-69-8	79449	HMDB0000766	C02847	88064	Polar	0.00616197183098592	KNN
methylsuccinate	2051	305	15745	146490	Amino Acid	Leucine, Isoleucine and Valine Metabolism	410	WXUAQHNMJWJLTG-UHFFFAOYSA-N	CC(C(O)=O)CC(O)=O	498-21-5	9922	HMDB0001844	NA	10349	Polar	0.0264084507042254	KNN
ethylmalonate	2054	305	15765	147158	Amino Acid	Leucine, Isoleucine and Valine Metabolism	407	UKFXDFUAPNAMPJ-UHFFFAOYSA-N	CCC(C(O)=O)C(O)=O	601-75-2	11263	HMDB0000622	NA	11756	Polar	0	KNN
suberate (C8-DC)	100000016	305	15730	145770	Lipid	Fatty Acid, Dicarboxylate	1677	TYFQFVWCELRYAO-UHFFFAOYSA-N	OC(CCCCCCC(O)=O)=O	505-48-6	10025	HMDB0000893	C08278	10457	Polar	0.0378521126760563	KNN
pimelate (C7-DC)	100000101	305	15704	147156	Lipid	Fatty Acid, Dicarboxylate	1674	WLJVNTCWHIRURA-UHFFFAOYSA-N	OC(CCCCCC(O)=O)=O	111-16-0	376	HMDB0000857	C02656	385	Polar	0.470950704225352	Present/Absent
glucuronate	100000257	305	15443	146478	Carbohydrate	Aminosugar Metabolism	1407	AEMOLEFTQBMNLQ-QIUUJYRFSA-N	O[C@@H]1O[C@H]([C@](O)=O)[C@@H](O)[C@H](O)[C@H]1O	207300-70-7	58552	HMDB0000127	C16245	441478,23677976,94715,65041,444791	Polar	0.00616197183098592	KNN
allo-threonine	100000272	305	15142	145758	Amino Acid	Glycine, Serine and Threonine Metabolism	19	AYFVYJQAPQTCCC-HRFVKAFMSA-N	O=C(O)[C@@H](N)[C@H](C)O	28954-12-3	89699	HMDB0004041	C05519	99289	Polar	0.244718309859155	Present/Absent
2-isopropylmalate	100000409	305	15667	152132	Xenobiotics	Food Component/Plant	4781	BITYXLXUCSKTJS-UHFFFAOYSA-N	OC(CC(O)=O)(C(C)C)C(O)=O	3237-44-3	76	HMDB0000402	C02504	77	Polar	0.0774647887323944	KNN
quinate	100000442	305	18335	146498	Xenobiotics	Food Component/Plant	4906	AAWZDTNXLSGCEK-WYWMIBKRSA-N	O[C@@]1([C@](O)(C[C@@](C(O)=O)(C[C@]1(O)[H])O)[H])[H]	77-95-2	10246715	HMDB0003072	C00296	6508	Polar	0.00792253521126761	KNN
gentisate	100000447	305	18280	152144	Amino Acid	Tyrosine Metabolism	219	WXTMDXOMEHJXQO-UHFFFAOYSA-N	O=C(O)C1=CC(O)=CC=C1O	490-79-9	3350	HMDB0000152	C00628	3469	Polar	0.0757042253521127	KNN
maleate	100000707	305	20676	147767	Lipid	Fatty Acid, Dicarboxylate	1672	VZCYOOQTPOCHFL-UHFFFAOYSA-N	O=C(C=CC(O)=O)O	110-16-7	392248	HMDB0000176	C01384	444266	Polar	0	KNN
erythritol	100000846	305	20699	146508	Xenobiotics	Food Component/Plant	4896	UNXHWFMMPAWVPI-UHFFFAOYSA-N	OCC(O)C(CO)O	149-32-6	13835932	HMDB0002994	C00503	222285	Polar	0.00176056338028169	KNN
ribonate	100001007	305	27731	147186	Carbohydrate	Pentose Metabolism	1263	QXKAIJAYHKCRRA-BXXZVTAOSA-N	OC([C@H](O)[C@H](O)[C@H](O)CO)=O	5336-08-3	4574162	HMDB0000867	C01685	5460677	Polar	0.00176056338028169	KNN
threonate	100001022	305	27738	146524	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4354	JPIJQSOTBSSVTP-UHFFFAOYSA-N	O=C(O)C(O)([H])C([H])(O)CO	70753-61-6	133224	HMDB0062620,HMDB0000943	C01620	151152,5460407	Polar	0	KNN
galactonate	100001026	305	27719	152158	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1373	RGHNJXZEOKUKBD-MGCNEYSASA-N	O[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)C(O)=O	299-28-5	114198	HMDB0000565	C00880,C15930	12310779,128869	Polar	0.0748239436619718	KNN
sebacate (C10-DC)	100001211	305	32398	165423	Lipid	Fatty Acid, Dicarboxylate	1682	CXMXRPHRNRROMY-UHFFFAOYSA-N	OC(CCCCCCCCC(O)=O)=O	111-20-6	5004	HMDB0000792	C08277	5192	Polar	0.0492957746478873	KNN
N-acetylglutamine	100001253	305	33943	146952	Amino Acid	Glutamate Metabolism	48	KSMRODHGGIIXDV-YFKPBYRVSA-N	OC([C@H](CCC(N)=O)NC(C)=O)=O	2490-97-3	158492	HMDB0006029	C02716	182230	Polar	0	KNN
alpha-hydroxyisovalerate	100001300	305	46537	146562	Amino Acid	Leucine, Isoleucine and Valine Metabolism	424	NGEWQZIDQIYUNV-UHFFFAOYSA-N	OC(C(O)=O)C(C)C	600-37-3	90190	HMDB0000407	NA	99823	Polar	0	KNN
erythronate*	100001320	305	42420	148204	Carbohydrate	Aminosugar Metabolism	1432	JPIJQSOTBSSVTP-PWNYCUMCSA-N	OC[C@@H](O)[C@@H](O)C(O)=O	88759-55-1	2061231	HMDB0000613	NA	2781043	Polar	0	KNN
5-acetylamino-6-formylamino-3-methyluracil	100001402	305	34401	165248	Xenobiotics	Xanthine Metabolism	4605	RDZNZFGKEVDNPK-UHFFFAOYSA-N	O=C(NC(NC=O)=C1NC(C)=O)N(C)C1=O	85438-96-6	97287	HMDB0011105	C16365	108214	Polar	0.0730633802816901	KNN
5-acetylamino-6-amino-3-methyluracil	100001403	305	34424	165245	Xenobiotics	Xanthine Metabolism	4604	POQOTWQIYYNXAT-UHFFFAOYSA-N	O=C(NC(N)=C1NC(C)=O)N(C)C1=O	1196153-01-1	79659	HMDB0004400	C16366	88299	Polar	0.0246478873239437	KNN
orotidine	100001416	305	35172	147813	Nucleotide	Pyrimidine Metabolism, Orotate containing	4210	FKCRAVPPBFWEJD-XVFCMESISA-N	O=C(C=C(C(O)=O)N1[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)NC1=O	314-50-1	83729	HMDB0000788	NA	92751	Polar	0	KNN
gulonate*	100001586	305	46957	148205	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	4358	RGHNJXZEOKUKBD-NRXMZTRTSA-N	OC([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)=O	20246-53-1	7969943	HMDB0003290	C00800	152304	Polar	0.0308098591549296	KNN
glycerophosphoglycerol	100001619	305	48857	160476	Lipid	Glycerolipid Metabolism	2848	LLCSXHMJULHSJN-UHFFFAOYSA-N	OC(CO)COP(O)(OCC(CO)O)=O	NA	388990	HMDB0240316	C03274	54575349	Polar	0.242077464788732	Present/Absent
N2-acetyllysine	100001721	305	36751	145848	Amino Acid	Lysine Metabolism	106	VEYYWZRYIYDQJM-ZETCQYMHSA-N	OC([C@H](CCCCN)NC(C)=O)=O	1946-82-3	83869	HMDB0000446	C12989	92907	Polar	0.447183098591549	Present/Absent
mannitol/sorbitol	100001740	305	46142	146560	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1352	FBPFZTCFMRRESA-UHFFFAOYSA-N	OCC(O)C(O)C(O)C(O)CO	NA	440	HMDB0000247,HMDB0000765	C00392,C00794	5780,6251	Polar	0	KNN
3-methyladipate	100001765	305	36749	146966	Lipid	Fatty Acid, Dicarboxylate	1670	SYEOWUNSTUDKGM-UHFFFAOYSA-N	O=C(O)CC(C)CCC(O)=O	3058-01-3	11789	HMDB0000555	NA	12292	Polar	0.29137323943662	Present/Absent
N-acetylserine	100001851	305	37076	147598	Amino Acid	Glycine, Serine and Threonine Metabolism	11	JJIHLJJYMXLCOY-BYPYZUCNSA-N	OC[C@@H](C(O)=O)NC(C)=O	97-14-3	58744	HMDB0002931	NA	65249	Polar	0	KNN
chiro-inositol	100001859	305	37112	145854	Lipid	Inositol Metabolism	2203	CDAISMWEOUEBRE-LKPKBOIGSA-N	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	643-12-9	10254647	HMDB0240209	C19891	NA	Polar	0.444542253521127	Present/Absent
1-stearoyl-2-oleoyl-GPG (18:0/18:1)	100001866	305	52623	165367	Lipid	Phosphatidylglycerol (PG)	2528	ZEFGRNLJASLRBZ-GXFQOPFSSA-N	O=P(OCC(O)CO)(O)OC[C@H](OC(CCCCCCC/C=CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O	322647-48-3	NA	HMDB0010604	NA	24779551	Polar	0.0440140845070423	KNN
alpha-ketoglutaramate*	100002397	305	62101	218946	Amino Acid	Glutamate Metabolism	46	COJBGNAUUSNXHX-UHFFFAOYSA-N	NC(CCC(C(O)=O)=O)=O	18465-19-5	NA	HMDB0001552	C00940	48	Polar	0	KNN
2,3-dihydroxyisovalerate	100002417	305	38276	152194	Xenobiotics	Food Component/Plant	4773	JTEYKUFKXGDTEU-UHFFFAOYSA-N	OC(C(O)C(C)(O)C)=O	1756-18-9	657	HMDB0012141	C04039	677	Polar	0.00176056338028169	KNN
3-methylglutaconate	100002458	305	38667	145864	Amino Acid	Leucine, Isoleucine and Valine Metabolism	367	WKRBKYFIJPGYQC-DUXPYHPUSA-N	OC(C/C(C)=C/C(O)=O)=O	5746-90-7	1267861	HMDB0000522	NA	1551553	Polar	0.000880281690140845	KNN
oxypurinol	100002489	305	41726	147004	Xenobiotics	Drug - Metabolic	5804	HXNFUBHNUDHIGC-UHFFFAOYSA-N	O=C(N1)NC2=C(C=NN2)C1=O	2465-59-0	4483	HMDB0000786	D02365	135398752	Polar	0.984154929577465	Exclude
hydantoin-5-propionate	100002514	305	40473	152212	Amino Acid	Histidine Metabolism	77	VWFWNXQAMGDPGG-UHFFFAOYSA-N	O=C1NC(C(CCC(O)=O)N1)=O	5624-26-0	761	HMDB0001212	C05565	782	Polar	0.0132042253521127	KNN
4-hydroxy-2-oxoglutaric acid	100002537	305	40062	207371	Lipid	Fatty Acid, Dicarboxylate	1665	WXSKVKPSMAHCSG-UHFFFAOYSA-N	OC(C(O)=O)CC(C(O)=O)=O	1187-99-1	579	HMDB0002070	C01127	599	Polar	0.0633802816901408	KNN
mannonate*	100003695	305	62864	220652	Xenobiotics	Food Component/Plant	4960	RGHNJXZEOKUKBD-MBMOQRBOSA-N	O=C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	642-99-9	2496757	NA	NA	3246006	Polar	0	KNN
succinimide	100003696	305	41888	152218	Xenobiotics	Chemical	6201	KZNICNPSHKQLFF-UHFFFAOYSA-N	O=C1NC(CC1)=O	123-56-8	10955	NA	C07273	11439	Polar	0.00440140845070423	KNN
N-methyltaurine	100004056	305	42989	180877	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	472	SUZRRICLUFMAQD-UHFFFAOYSA-N	O=S(O)(CCNC)=O	107-68-6	7594	NA	NA	7882	Polar	0.684859154929577	Present/Absent
3-hydroxyadipate	100004396	305	62069	218878	Lipid	Fatty Acid, Dicarboxylate	1669	YVOMYDHIQVMMTA-UHFFFAOYSA-N	OC(CC(O)=O)CCC(O)=O	NA	133894	HMDB0000345	NA	151913	Polar	0.161091549295775	KNN
2-keto-3-deoxy-gluconate	100005946	305	48141	160468	Xenobiotics	Food Component/Plant	5131	WPAMZTWLKIDIOP-WVZVXSGGSA-N	OC[C@@H](O)[C@@H](O)CC(C(O)=O)=O	17510-99-5	141630	HMDB0001353	C00204	161227	Polar	0	KNN
arabonate/xylonate	100006115	305	48255	153226	Carbohydrate	Pentose Metabolism	1283	QXKAIJAYHKCRRA-JJYYJPOSSA-N	OC([C@H]([C@@H]([C@@H](CO)O)O)O)=O	NA	NA	HMDB0000539	C00502,C05411	122045,6602431	Polar	0	KNN
arabitol/xylitol	100006430	305	48885	160479	Carbohydrate	Pentose Metabolism	1277	HEBKCHPVOIAQTA-IMJSIDKUSA-N	OC[C@@H](C([C@H](CO)O)O)O	NA	NA	HMDB0001851,HMDB0000568,HMDB0002917	C00379,C00542,C01904	94154,6912	Polar	0	KNN
citraconate/glutaconate	100006438	305	47076	148336	Energy	TCA Cycle	1463	HNEGQIOMVPPMNR-IHWYPQMZSA-N	C/C(C(O)=O)=C/C(O)=O	NA	NA	HMDB0000634,HMDB0000620	C02226,C02214	5280498,643798	Polar	0	KNN
2-hydroxybutyrate/2-hydroxyisobutyrate	100008928	305	52281	164309	Amino Acid	Glutathione Metabolism	582	AFENDNXGAFYKQO-UHFFFAOYSA-N	CCC(O)C(O)=O	NA	NA	HMDB0000729,HMDB00008	C21297,C05984	440864,4277439	Polar	0	KNN
1-linoleoyl-GPA (18:2)*	100009082	305	52690	165463	Lipid	Lysophospholipid	2588	ZQTAMPRZFOOEEP-KKFOGOCZSA-N	O=C(CCCCCCC/C=CC/C=CCCCCC)OC[C@]([H])(COP(O)(O)=O)O	NA	24766514	HMDB0007856	NA	NA	Polar	0.392605633802817	Present/Absent
isocitric lactone	100009239	305	54724	207379	Energy	TCA Cycle	1445	UKZDIMBDWHZXOK-UHFFFAOYSA-N	OC(C(C1)C(C(O)=O)OC1=O)=O	4702-32-3	88729	NA	NA	98259	Polar	0.0580985915492958	KNN
caffeic acid sulfate	100009337	305	53254	179431	Xenobiotics	Food Component/Plant	5205	SNVAIAITQIIEMQ-DUXPYHPUSA-N	OS(OC1=CC=C(C=C1O)/C=C/C(O)=O)(=O)=O	NA	30777608	HMDB0041708	NA	21668705	Polar	0.0924295774647887	KNN
perfluorooctanesulfonate (PFOS)	100010955	305	57564	211466	Xenobiotics	Chemical	6192	YFSUTJLHUFNCNZ-UHFFFAOYSA-N	O=S(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(O)=O	1763-23-1	67068	HMDB0059586	C18142	74483	Polar	0.00264084507042254	KNN
dexlansoprazole	100015794	305	57668	212835	Xenobiotics	Drug - Gastrointestinal	5751	MJIHNNLFOKEZEW-RUZDIDTESA-N	CC1=C(OCC(F)(F)F)C=CN=C1C[S@](C2=NC3=CC=CC=C3N2)=O	138530-94-6	7852369	NA	D08903	9578005	Polar	0.985915492957746	Exclude
lyxonate	100019968	305	61858	218556	Carbohydrate	Pentose Metabolism	1290	QXKAIJAYHKCRRA-PZGQECOJSA-N	OC[C@H](O)[C@@H](O)[C@@H](O)C(O)=O	NA	NA	HMDB0060255	NA	NA	Polar	0.0202464788732394	KNN
heptenedioate (C7:1-DC)*	100019981	305	61866	218583	Lipid	Fatty Acid, Dicarboxylate	1675	OXQWBLJQOBXJPM-DUXPYHPUSA-N	OC(CCC/C=C/C(O)=O)=O	NA	NA	NA	NA	NA	Polar	0.0404929577464789	KNN
carboxyibuprofen glucuronide*	100020212	305	62067	218874	Xenobiotics	Drug - Analgesics, Anesthetics	5400	FLVLKWAQHDRIPH-UHFFFAOYSA-N	CC(C(OC1OC(C(O)=O)C(O)C(O)C1O)=O)C2=CC=C(CC(C)C(O)=O)C=C2	NA	NA	HMDB60564	NA	135390721	Polar	0.751760563380282	Present/Absent
fibrinopeptide B (1-12)**	100020910	305	62814	220447	Peptide	Fibrinogen Cleavage Peptide	1179	BQQBOORXDTXWLE-UHFFFAOYSA-N	OC(C(CO)NC(C(CC1=CC=CC=C1)NC(C(CC2=CC=CC=C2)NC(CNC(C(CCC(O)=O)NC(C(CCC(O)=O)NC(C(CC(N)=O)NC(C(CC(O)=O)NC(C(CC(N)=O)NC(C(C(C)C)NC(CNC(C(CC3)NC3=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O	NA	NA	NA	NA	16132131	Polar	0.983274647887324	Exclude
fibrinopeptide B (1-11)**	100020912	305	62815	220449	Peptide	Fibrinogen Cleavage Peptide	1178	YXFOTICOZNPKPN-UHFFFAOYSA-N	OC(C(CC1=CC=CC=C1)NC(C(CC2=CC=CC=C2)NC(CNC(C(CCC(O)=O)NC(C(CCC(O)=O)NC(C(CC(N)=O)NC(C(CC(O)=O)NC(C(CC(N)=O)NC(C(C(C)C)NC(CNC(C(CC3)NC3=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O	NA	NA	NA	NA	16132131	Polar	0.98943661971831	Exclude