name short t0set num nMapped nPastEnd nGenic nUsed gMed gMedt0 gMean cor12 mad12 mad12c mad12c_t0 opcor adjcor gccor maxFit u set1IT001 D-Glucose (C) 6/2/2015 Smeli_ML6_set1 1 2683005 25453 1705628 1703167 238 1481 331.807325150984 0.238941631347672 0.207542144860562 1.13750352374993 1.13434874590425 0.176038717379109 0.0905695265476149 -0.0904263393886175 1.31322347438962 TRUE set1IT002 D-Fructose (C) 6/2/2015 Smeli_ML6_set1 2 3135326 30620 1995219 1992558 272 1481 388.18585622443 0.217655322937564 0.197590491356502 1.15309909156714 1.13434874590425 0.138592729504254 0.0427482107033631 -0.0925997612303576 1.19815772540265 TRUE set1IT003 Sucrose (C) 6/2/2015 Smeli_ML6_set1 3 3634480 35796 2309684 2306404 320 1481 449.328657705046 0.216061812038604 0.190559285692965 1.16225191531996 1.13434874590425 0.170502404468934 0.039502141661596 -0.0889976729833257 1.07254512237949 TRUE set1IT004 L-Arabinose (C) 6/2/2015 Smeli_ML6_set1 4 3224459 32511 2046719 2043769 287 1481 398.162672900838 0.19860443918695 0.194744957675558 1.13750352374993 1.13434874590425 0.15062577969078 0.0303854666937136 -0.0881254100430527 1.07229524716514 TRUE set1IT005 D-Arabinose (C) 6/2/2015 Smeli_ML6_set1 5 3486531 25888 2220755 2217681 307 1481 432.043834015196 0.25766453251915 0.18766385555679 1.13459092265918 1.13434874590425 0.176966451956869 0.0271738293921995 -0.0839602557646373 2.38270447726382 TRUE set1IT006 D-Maltose (C) 6/2/2015 Smeli_ML6_set1 6 3907713 35548 2483911 2480546 347 1481 483.254626923826 0.207092032181038 0.187635510554028 1.15118291425442 1.13434874590425 0.145021757028135 0.106013389589438 -0.081356210916416 2.79048287801367 TRUE set1IT007 D-Xylose (C) 6/2/2015 Smeli_ML6_set1 7 3318428 31336 2109169 2106300 293 1481 410.344827586207 0.204193991290995 0.193786546003363 1.15281153026357 1.13434874590425 0.133288234529826 0.0598565755168991 -0.0812141543648437 1.37953947758597 TRUE set1IT008 D-Galactose (C) 6/2/2015 Smeli_ML6_set1 8 3922851 39340 2490171 2486725 346 1481 484.458406390025 0.213295929762192 0.186298150854746 1.14026459182876 1.13434874590425 0.134215648051449 0.0885213905446636 -0.0843773043275568 1.25969379026656 TRUE set1IT009 D-Raffinose (C) 6/2/2015 Smeli_ML6_set1 9 4014134 37908 2551115 2547805 355 1481 496.357880381843 0.206720650927848 0.182656312332089 1.16708304260548 1.13434874590425 0.159703414962616 -0.0053314258905536 -0.0832830721318887 1.17761827995413 TRUE set1IT010 L-Rhamnose (C) 6/2/2015 Smeli_ML6_set1 10 3779723 37114 2401432 2398506 333 1481 467.271770894214 0.201965285281082 0.184500955000982 1.14212393632017 1.13434874590425 0.140548014303046 0.0406072451362823 -0.0866498391869308 1.08928393779396 TRUE set1IT011 D-Ribose (C) 6/2/2015 Smeli_ML6_set1 11 3605175 32471 2297311 2294438 323 1481 446.997467368011 0.211513314768584 0.183042193846467 1.14583676096611 1.13434874590425 0.165613898043629 0.0781645973814757 -0.0902808886783195 1.21050605054045 TRUE set1IT012 L-Fucose (C) 6/2/2015 Smeli_ML6_set1 12 4985522 47866 3167752 3163670 437 1481 616.339372686538 0.257366869556036 0.185283658993856 1.16046467219325 1.13434874590425 0.258370267112766 0.110990375991995 -0.088837095157067 0.991813083648388 TRUE set1IT013 D-Cellobiose (C) 6/2/2015 Smeli_ML6_set1 13 4398993 39846 2794606 2790723 392 1481 543.682641729982 0.196134964401323 0.187819212060542 1.14131824848401 1.13434874590425 0.14369481866887 0.0210535416746137 -0.0873848354842222 1.18141309648018 TRUE set1IT014 L-Lactate (C) 6/2/2015 Smeli_ML6_set1 14 3991025 39252 2537722 2534417 358 1481 493.749659068771 0.181370048235294 0.180778444735395 1.14701373273827 1.13434874590425 0.12538752461574 0.0310088382010047 -0.0844963793045888 1.1542632601244 TRUE set1IT015 D,L-Lactate (C) 6/2/2015 Smeli_ML6_set1 15 3914474 36724 2482719 2479224 350 1481 482.99707773232 0.170073568763077 0.187234173432624 1.1411091925427 1.13434874590425 0.153431427580973 0.0183178587246469 -0.0743676142210269 1.21646873028103 TRUE set1IT016 pyruvate (C) 6/2/2015 Smeli_ML6_set1 16 4241333 39013 2697250 2693688 380 1481 524.778492109877 0.218773683979856 0.185664912940153 1.16310917299254 1.13434874590425 0.168246702092258 0.0162140852526353 -0.0866909081021547 0.907124992332662 TRUE set1IT017 succinate (C) 6/2/2015 Smeli_ML6_set1 17 4093828 36017 2609133 2605568 370 1481 507.611143580752 0.176977923422646 0.181482624972911 1.14406269339831 1.13434874590425 0.115751003286429 0.043232552444282 -0.080966778637679 1.948080142986 TRUE set1IT018 D-Mannitol (C) 6/2/2015 Smeli_ML6_set1 18 4127452 36976 2625904 2622320 371 1481 510.874732125463 0.190840147656874 0.175746368163955 1.13292608524064 1.13434874590425 0.11672822553025 0.0457516944621382 -0.0845498453035241 1.2515784157506 TRUE set1IT019 m-Inositol (C) 6/2/2015 Smeli_ML6_set1 19 4094434 41019 2592717 2589096 361 1481 504.402104032729 0.207011260408051 0.184437139160287 1.16992500144231 1.13434874590425 0.149726160876192 0.00907412156001467 -0.0750785388960848 1.81504308701877 TRUE set1IT020 Glycerol (C) 6/2/2015 Smeli_ML6_set1 20 4399872 37286 2796718 2793028 391 1481 544.131696863433 0.195454033092935 0.179156263643927 1.14613591392542 1.13434874590425 0.124885259840903 -0.00723641304647657 -0.0875455863199502 1.09694039024564 TRUE set1IT021 D-Sorbitol (C) 6/2/2015 Smeli_ML6_set1 21 4119952 35055 2621261 2617875 362 1481 510.008766803039 0.210517556268878 0.182773074564802 1.14036256411944 1.13434874590425 0.192544681160419 0.00268773957342428 -0.0826389749690808 1.07865527280692 TRUE set1IT022 L-Malic (C) 6/2/2015 Smeli_ML6_set1 22 4053931 34081 2582844 2579490 367 1481 502.530683810637 0.174071864648282 0.178618895004607 1.14634612739636 1.13434874590425 0.113720503948271 0.0291804384091814 -0.0773304447589687 2.73561820584517 TRUE set1IT023 D-Trehalose (C) 6/2/2015 Smeli_ML6_set1 23 3346856 30711 2125515 2122858 297 1481 413.570621468927 0.182172778271596 0.194977973450169 1.14487362938695 1.13434874590425 0.17338600195169 0.0230289108601938 -0.070152434826666 1.28811534167766 TRUE set1IT024 L-Histidine (C) 6/2/2015 Smeli_ML6_set1 24 4227798 37866 2687420 2683940 373 1481 522.87940775375 0.25460310293776 0.185052833321082 1.14659096221555 1.13434874590425 0.180085940495483 0.0630552885026746 -0.0737203636160887 2.05431985145843 TRUE set1IT025 L-Lysine (C) 6/2/2015 Smeli_ML6_set1 25 4229227 39649 2687023 2683692 375 1481 522.831092928112 0.252078126220039 0.175680344679271 1.14666051094623 1.13434874590425 0.184363375853932 0.0448804156909928 -0.0866952101028015 2.2296419346855 TRUE set1IT026 L-Glutamine (C) 6/2/2015 Smeli_ML6_set1 26 4290341 38365 2727082 2723625 386 1481 530.610753945061 0.242224311873047 0.181223901191661 1.14796910403849 1.13434874590425 0.153967793090493 0.0527970871913854 -0.0815230356446549 1.67937774838545 TRUE set1IT027 L-Proline (C) 6/2/2015 Smeli_ML6_set1 27 4141017 37864 2634635 2631187 372 1481 512.602181959867 0.208724984003735 0.181009417155109 1.12918890153999 1.13434874590425 0.143089131147153 -0.0205860562820158 -0.0770342964447598 3.6779818623342 TRUE set1IT028 L-Leucine (C) 6/2/2015 Smeli_ML6_set1 28 4340048 39900 2753056 2749397 386 1481 535.63159945451 0.215468538467676 0.185173093368275 1.13176658840614 1.13434874590425 0.162017634025415 0.101984920282407 -0.0862934024578568 0.97352544443321 TRUE set1IT029 casaminos (C) 6/2/2015 Smeli_ML6_set1 29 2587289 25037 1644808 1642187 230 1481 319.927332943698 0.0511740692266909 0.452867083006383 1.23912639714125 1.13434874590425 0.0152351250075899 0.0209869891553427 -0.00029033598566752 2.08052220310394 FALSE set1IT030 NAG (C) 6/2/2015 Smeli_ML6_set1 30 3582206 36641 2269091 2265938 312 1481 441.445158776544 0.185818535776481 0.214056248071468 1.14530180737715 1.13434874590425 0.134681872361651 0.0616169310678412 -0.0861539739120121 1.43349209796404 TRUE set1IT031 D-Glucosamine Hydrochloride (C) 6/2/2015 Smeli_ML6_set1 31 3902554 35455 2483694 2480350 353 1481 483.216442626145 0.230356193948136 0.186738303734097 1.14777360967614 1.13434874590425 0.166130008917434 0.0161529278327282 -0.0789792815469894 1.63277759845454 TRUE set1IT032 Uridine (C) 6/2/2015 Smeli_ML6_set1 32 4161902 37204 2647953 2644559 373 1481 515.207286187415 0.19170203470254 0.183310345895228 1.14742395675256 1.13434874590425 0.159078299798735 0.0446727870091517 -0.0789883649285926 1.69723536880931 TRUE set1IT033 D-Salicin (C) 6/2/2015 Smeli_ML6_set1 33 3415031 29514 2172417 2169479 305 1481 422.65322423534 0.19157830859663 0.188734863751828 1.14451250696439 1.13434874590425 0.172858220624345 0.00669412710609932 -0.0842354383638238 3.03825696167434 TRUE set1IT034 Beta-Lactose (C) 6/2/2015 Smeli_ML6_set1 34 4017455 35272 2565153 2561737 353 1481 499.072082602766 0.215092030295387 0.184693021225988 1.14467372041178 1.13434874590425 0.161727636035902 0.00470514797567878 -0.0669853986165369 5.45391276720001 TRUE set1IT035 D-Mannose (C) 6/2/2015 Smeli_ML6_set1 35 3878359 34591 2468303 2465126 344 1481 480.250535749075 0.175797244311231 0.182247647478275 1.15987133677839 1.13434874590425 0.161154690278006 0.0428043744320703 -0.0888465799737514 1.2877417891406 TRUE set1IT036 D-Tagatose (C) 6/2/2015 Smeli_ML6_set1 36 4502249 43893 2857963 2854292 395 1481 556.067017338788 0.196105791360467 0.181230276359834 1.13591168569295 1.13434874590425 0.212833441173794 0.106858040575236 -0.0997605336884311 1.07508754662358 TRUE set1IT037 Nickel (II) chloride 0.5 mM 6/2/2015 Smeli_ML6_set1 37 3584446 37043 2306181 2303180 300 1481 448.700564971751 0.257890163368058 0.194046603671243 1.17697108293639 1.13434874590425 0.134845439754749 0.0268484036429348 -0.0558592503411861 3.75690229341999 TRUE set1IT038 Nickel (II) chloride 1 mM 6/2/2015 Smeli_ML6_set1 38 4031834 39614 2636549 2633611 286 1481 513.07442041691 0.23571185957711 0.35310661693471 1.22117905263918 1.13434874590425 0.144041934988139 0.0301595347956385 -0.0652548168074474 7.29946389977167 TRUE set1IT039 Cobalt chloride 0.16 mM 6/2/2015 Smeli_ML6_set1 39 3780659 33174 2410861 2408032 274 1481 469.127605688681 0.258668651064166 0.219244054346671 1.16209779013328 1.13434874590425 0.227717136751182 0.0404292519172971 -0.0524328225415915 5.1874097762955 TRUE set1IT040 copper (II) chloride 1 mM 6/2/2015 Smeli_ML6_set1 40 4372276 55000 2788645 2785193 383 1481 542.605299045393 0.253556800888891 0.214752016049649 1.16887837646227 1.13434874590425 0.218978687609742 0.00389386416600363 -0.0615212964075491 3.33480211694771 TRUE set1IT041 sodium fluoride 100 mM 6/2/2015 Smeli_ML6_set1 41 4232335 37730 2696669 2693124 382 1481 524.66861484512 0.146407731162937 0.181802701502922 1.16596094518731 1.13434874590425 0.0959279000747934 -0.0137573977947227 -0.0366491152529427 1.61361710758451 TRUE set1IT042 Paraquat dichloride 0.05 mg/ml 6/2/2015 Smeli_ML6_set1 42 4082254 46091 2655665 2651348 295 1481 516.529904539256 0.255034233519457 0.215898470600418 1.16704389079488 1.13434874590425 0.189756176088562 0.0731081875170097 -0.0288895138514618 6.29963675710836 TRUE set1IT043 Paraquat dichloride 0.2 mg/ml 6/2/2015 Smeli_ML6_set1 43 3911725 21175 2612229 2607219 135 1481 507.932787843366 0.193239923577209 0.264792984407975 1.14713587599225 1.13434874590425 0.119481002218817 0.0422460751317753 -0.020311997772206 7.83560322903716 TRUE set1IT044 Cisplatin 0.002 mg/ml 6/2/2015 Smeli_ML6_set1 44 4011496 20804 2546047 2520277 37 1481 490.994934736022 0.12206584146412 0.579587206781136 1.40517687804634 1.13434874590425 0.0925126593280759 0.0375283926404281 0.00217698469307012 13.788712872989 FALSE set1IT045 Time0 6/2/2015 Smeli_ML6_set1 45 4206038 42831 2677486 2674318 387 1094 521.004870446133 0.0080843461922665 0.16776629257224 1.1370027618274 1.13693181972124 -0.0353506345019287 0.00516993957537254 0.00130507683290042 1.0837830493285 FALSE set1IT046 Time0 6/2/2015 Smeli_ML6_set1 46 3887234 39903 2475000 2472062 359 1123 481.601792324177 -0.016279450161489 0.173428442395061 1.15606185331946 1.14325890172256 0.00929238680395086 0.0374944649566281 0.0139272503723051 1.00596472904844 FALSE set1IT047 Time0 6/2/2015 Smeli_ML6_set1 47 3427206 35533 2179727 2177164 315 1166 424.150399376583 0.0102179263584073 0.16949022862356 1.13490455498821 1.14161516232123 0.00492820152129985 0.0258295807545191 0.00724248305406596 1.14035797622658 FALSE set1IT048 Time0 6/2/2015 Smeli_ML6_set1 48 4564211 46573 2907415 2903955 418 1065 565.742255990649 0.0241222543064178 0.163382755644754 1.139265771075 1.13518875987559 0.0327540870881403 0.0587950108782253 -0.033841100982228 1.1878468855049 FALSE set2IT049 LB 6/2/2015 Smeli_ML6_set2 49 4566875 41605 3047295 3017137 235 1207 587.792129359049 0.208636712371245 0.250637655340995 1.19368673519264 1.14228160576597 0.180450595367148 0.0221650025559141 -0.0186141386100845 9.58387600233472 TRUE set2IT050 nitrite 20 mM 6/2/2015 Smeli_ML6_set2 50 4967538 48913 3154711 3150361 446 1207 613.746541983246 0.105605191303824 0.183786247801392 1.16934815413413 1.14228160576597 0.0478142490648853 0.0207061786290993 -0.0666590674176184 1.57842855695713 TRUE set2IT051 perchlorate 10 mM 6/2/2015 Smeli_ML6_set2 51 3991057 55096 2611069 2603166 160 1207 507.143191116306 0.206295523124109 0.322025217731012 1.24926561069438 1.14228160576597 0.108235675822039 0.0441670808839757 -0.000807680528193755 10.2212497479429 TRUE set2IT052 Chloride 200 mM 6/2/2015 Smeli_ML6_set2 52 4351661 54083 2789979 2786348 364 1207 542.830313656731 0.24917073828966 0.211075130588405 1.16826014525202 1.14228160576597 0.167490164646517 0.0133957226335713 -0.0510477218651166 3.23417009841825 TRUE set2IT053 Chloride 400 mM 6/2/2015 Smeli_ML6_set2 53 3755235 39425 2401326 2397562 341 1207 467.087862848237 0.0404509176418355 0.321894811389145 1.16123293966449 1.14228160576597 0.0503637032834077 0.0343851455697662 0.0131650465076354 1.67512325314484 FALSE set2IT054 Fusidic 0.0001 mg/ml 6/2/2015 Smeli_ML6_set2 54 5190381 50608 3318719 3314508 463 1207 645.725306838106 0.240471883986953 0.214686889482981 1.15263746708406 1.14228160576597 0.179801492199356 0.0216751385431595 -0.0506219865403212 2.73230452618746 TRUE set2IT056 A22 0.02 mg/ml 6/2/2015 Smeli_ML6_set2 56 4899692 46812 3132436 3128563 434 1207 609.499902591077 0.208224014109939 0.19043544464324 1.16501630252764 1.14228160576597 0.13378386902334 -0.0279529153169829 -0.0529822700709911 1.96546300006258 TRUE set2IT057 D-Cycloserine 0.05 mg/ml 6/2/2015 Smeli_ML6_set2 57 4210556 51282 2761054 2756477 249 1207 537.010909799338 0.261138794091631 0.267981748756529 1.17921601152611 1.14228160576597 0.199489856391061 -0.0107577495948501 -0.0372530644110031 8.20439183329307 TRUE set2IT058 Doxycycline hyclate 0.0001 mg/ml 6/2/2015 Smeli_ML6_set2 58 1956639 24849 1242263 1240168 172 1207 241.606857588155 -0.00673670289875878 0.705653183219903 1.32192809488736 1.14228160576597 0.0399839908681415 0.00806789015806626 -0.0409258239598663 2.83100987949552 FALSE set2IT059 LB 6/2/2015 Smeli_ML6_set2 59 5256591 54827 3455664 3446535 291 1207 671.446522501461 0.273650280724579 0.237488444698601 1.17397583459177 1.14228160576597 0.221607970537735 0.0504709975147685 -0.0195699289190331 7.33088611730226 TRUE set2IT060 LB 6/2/2015 Smeli_ML6_set2 60 5138310 49464 3411948 3406475 260 1207 663.642119618157 0.26385997113159 0.24881129544568 1.20163386116965 1.14228160576597 0.232677202538588 0.04376272267607 -0.0351647473271392 7.42562938247847 TRUE set2IT061 LB, pH6 6/2/2015 Smeli_ML6_set2 61 4627167 45514 2775631 2773979 139 1207 540.420611728034 0.208574957299494 0.289763026378529 1.19077181902839 1.14228160576597 0.136271923972638 0.0532980952437594 0.000222530205998655 9.48806273863363 TRUE set2IT062 LB, pH6 6/2/2015 Smeli_ML6_set2 62 5656288 53263 3373685 3371630 161 1207 656.853691798169 0.164518890008345 0.289766480239588 1.18028548454862 1.14228160576597 0.0997603186338599 0.0103398187196565 0.00464391236436232 9.62169082878614 TRUE set2IT063 LB, pH7 6/2/2015 Smeli_ML6_set2 63 4580557 45448 2925016 2921400 408 1207 569.140853302162 0.125798570342814 0.195316202642833 1.16736785723783 1.14228160576597 0.147346218352573 0.0207864404784525 -0.0659144352996182 1.64337253028347 TRUE set2IT064 LB, pH7 6/2/2015 Smeli_ML6_set2 64 3995739 39365 2551676 2548365 355 1207 496.466978375219 0.146728469129376 0.195911955548731 1.1667735890771 1.14228160576597 0.106126409951919 -0.003451697476282 -0.0603679059290315 1.63392411662265 TRUE set2IT065 LB, pH8 6/2/2015 Smeli_ML6_set2 65 4342705 30638 2824441 2820844 338 1207 549.550750048704 0.291626301245037 0.228931950359153 1.18220333122075 1.14228160576597 0.153658610567189 0.0200319984002138 -0.0177777014589329 4.25873842968705 TRUE set2IT066 LB, pH8 6/2/2015 Smeli_ML6_set2 66 4341309 30086 2824871 2821095 336 1207 549.599649327878 0.274585672947558 0.236391901016725 1.16463288119191 1.14228160576597 0.219674042911409 0.018966855450669 -0.0317147631630809 4.30127937152366 TRUE set2IT067 LB, 23C 6/2/2015 Smeli_ML6_set2 67 4147870 46968 2646174 2642721 361 1207 514.849210987726 0.162212013951661 0.193275344473155 1.16275088888359 1.14228160576597 0.104476102845248 0.0518618627885416 -0.0618545973840222 1.94012251919933 TRUE set2IT068 LB, 23C 6/2/2015 Smeli_ML6_set2 68 3621880 41514 2312452 2309539 317 1207 449.939411650107 0.13961662181718 0.198633140549777 1.17241018076101 1.14228160576597 0.127791090622273 0.0302458821423621 -0.0465946725461324 1.94327113904926 TRUE set2IT069 LB, 30C 6/2/2015 Smeli_ML6_set2 69 4052366 43534 2588866 2585602 355 1207 503.7214104812 0.186259329302057 0.178043797555768 1.15200309344505 1.14228160576597 0.137067945367788 0.0539771311187478 -0.0778741033675123 1.40971271470973 TRUE set2IT070 LB, 30C 6/2/2015 Smeli_ML6_set2 70 4783344 51218 3055440 3051834 418 1207 594.551724137931 0.178960913672495 0.179711348489134 1.15390564211129 1.14228160576597 0.141417361609492 0.0699167964947789 -0.0787168361321179 1.38771578022345 TRUE set2IT071 LB, 37C 6/2/2015 Smeli_ML6_set2 71 1263992 6475 978957 978283 65 1207 190.586986167933 0.0587432469635955 0.373621966479524 1.1926450779424 1.14228160576597 0.0162542228448739 0.0153163592944462 -0.0243248632708823 6.44227660443459 FALSE set2IT072 LB, 37C 6/2/2015 Smeli_ML6_set2 72 2840792 20428 1760082 1758303 188 1207 342.548801870251 0.0804945503267077 0.231981910937841 1.14974711950468 1.14228160576597 0.0752483122682 0.0310775405854922 -0.0364187580777431 9.43933544299416 FALSE set2IT073 inner cut, LB soft agar motility assay 6/2/2015 Smeli_ML6_set2 73 3370089 38042 2158868 2156099 276 1207 420.04656146503 0.0506430724161611 0.539427892714768 1.33346830219969 1.14228160576597 0.0563899526879671 0.00612012122278571 -0.0855147963032622 3.465944423428 FALSE set2IT074 inner cut, LB soft agar motility assay 6/2/2015 Smeli_ML6_set2 74 2643977 29014 1693125 1690923 219 1207 329.421975452951 0.0916732250525319 0.487828619081336 1.32504656235776 1.14228160576597 0.0712237126165558 0.0123595329803575 -0.0467946868314299 3.86653455047805 FALSE set2IT075 inner cut, LB soft agar motility assay 6/2/2015 Smeli_ML6_set2 75 3259571 35440 2085346 2082653 274 1207 405.737969998052 0.0996916748241514 0.42391850700606 1.23786579204313 1.14228160576597 0.0853703351814575 -0.0201575187959738 -0.0783779130373769 3.29534616992191 FALSE set2IT076 Time0 6/2/2015 Smeli_ML6_set2 76 4648598 47505 2961836 2958171 425 783 576.304500292227 0.00973003369072817 0.16869241275341 1.14717531975431 1.14420010601335 0.00803591238301692 0.00897462654028238 0.0235633901748633 1.10077512005745 FALSE set2IT077 Time0 6/2/2015 Smeli_ML6_set2 77 4115843 42135 2622023 2618873 379 828 510.203195012663 -0.0330945174263715 0.187712785415953 1.1459645629757 1.14768142812067 0.0157982850832417 0.0258868079621595 0.0148565825467986 1.43598067210776 FALSE set2IT078 Time0 6/2/2015 Smeli_ML6_set2 78 4423442 45946 2815309 2811833 404 800 547.795246444574 0.00702404709246742 0.184205691617347 1.13359768110447 1.13944311144658 0.0199698712999964 0.0370330407104317 -0.00413205631869801 1.23693055574151 FALSE set3IT001 L-Arginine (N) 3/3/2016 Smeli_ML6_set3 79 1382223 10746 874281 872847 115 1042 170.04617182934 0.15822566083645 0.441769554912279 1.23364365741424 1.13211455688008 0.135987137357326 0.00105832496383178 -0.0521861838102308 6.02577006650856 TRUE set3IT002 L-Histidine (N) 3/3/2016 Smeli_ML6_set3 80 2921075 32325 1858069 1855018 255 1042 361.390609779856 0.115466770934431 0.371711959730196 1.18655691921201 1.13211455688008 0.141235364362966 -0.0300520853115396 -0.0674594619598623 2.54766635135078 TRUE set3IT003 L-Lysine (N) 3/3/2016 Smeli_ML6_set3 81 2100577 16420 1306883 1303837 176 1042 254.010714981492 0.0772598515193139 0.425727525789756 1.2057896624697 1.13211455688008 0.110410217707355 0.0544006522781282 -0.0493815177196694 4.11809952716329 FALSE set3IT004 L-Aspartic Acid (N) 3/3/2016 Smeli_ML6_set3 82 2613605 28101 1663809 1661016 229 1042 323.595558153127 0.0999603536371873 0.346714901074479 1.18796133389869 1.13211455688008 0.0484742900753331 0.00577747082806151 -0.0766569020617205 2.36452390435421 FALSE set3IT005 L-Serine (N) 3/3/2016 Smeli_ML6_set3 83 3135491 33083 1998098 1994841 278 1042 388.630625365283 0.147439502666555 0.272678463759215 1.15290537931013 1.13211455688008 0.129605087458659 0.00951862733490984 -0.0815376343350821 2.37328970968379 TRUE set3IT006 L-Threonine (N) 3/3/2016 Smeli_ML6_set3 84 3442546 41452 2181650 2177385 303 1042 424.193454120397 0.0706923385792223 0.431946846909621 1.21946023377611 1.13211455688008 0.0590773120487002 0.01994889409061 -0.0703096805211522 2.89395900501443 FALSE set3IT007 L-Asparagine (N) 3/3/2016 Smeli_ML6_set3 85 2894166 35597 1835890 1828536 255 1042 356.231443600234 0.113746917140933 0.425247129482839 1.24792751344359 1.13211455688008 0.106013927166068 0.00794707571171132 -0.0773767958856208 2.12645287343146 TRUE set3IT008 L-Glutamine (N) 3/3/2016 Smeli_ML6_set3 86 3014301 33925 1922860 1919724 266 1042 373.996493278784 0.142765761040285 0.287093077194423 1.14521092102533 1.13211455688008 0.122758936867322 0.0670606019905097 -0.0913731003861385 1.6144075542153 TRUE set3IT009 L-Cysteine (N) 3/3/2016 Smeli_ML6_set3 87 821639 6228 524586 523396 66 1042 101.966880966297 0.042000383709735 1.85824649225718 1.96980136017802 1.13211455688008 0.0596686973819513 0.0772301002230016 -0.027752691711381 4.70418981102753 FALSE set3IT010 Glycine (N) 3/3/2016 Smeli_ML6_set3 88 2233515 30488 1417964 1414225 193 1042 275.516267290084 0.0228578876241712 1.22858638132901 1.53120798683426 1.13211455688008 0.034124050097961 -0.00335522713766448 -0.0646093355996288 3.63647815577568 FALSE set3IT011 L-Alanine (N) 3/3/2016 Smeli_ML6_set3 89 677072 8539 427774 426799 50 1042 83.1480615624391 0.0292252339427708 1.86424293450555 2 1.13211455688008 -0.00236526580996006 -0.00373065573027018 -0.0262996116375789 4.395693842456 FALSE set3IT012 L-Valine (N) 3/3/2016 Smeli_ML6_set3 90 4013317 51072 2536167 2532314 348 1042 493.339957140074 0.0874598700956228 0.386038541807951 1.22522935036874 1.13211455688008 0.103280615041602 0.00140007348311675 -0.0567218667845611 2.13166499669877 FALSE set3IT013 L-Isoleucine (N) 3/3/2016 Smeli_ML6_set3 91 1730512 23830 1093378 1091004 149 1042 212.547048509643 0.0602538692101561 0.927071089504508 1.42991285688526 1.13211455688008 0.0514667775847611 0.00687396658987523 -0.0552095120011283 3.05360664152961 FALSE set3IT014 L-Leucine (N) 3/3/2016 Smeli_ML6_set3 92 3681424 113666 2295539 2291917 309 1042 446.506331579973 0.147972557531675 0.384361998399449 1.19953916029959 1.13211455688008 0.130643095226515 -0.060109522964892 -0.0805875693209177 2.2732156734035 TRUE set3IT015 L-Phenylalanine (N) 3/3/2016 Smeli_ML6_set3 93 1575948 19037 1001087 999117 136 1042 194.645821157218 0.0213961105381369 0.857425335688619 1.35681402888166 1.13211455688008 0.0374640531680861 -0.0194550915323098 -0.0618538858745609 3.25791707767777 FALSE set3IT016 L-Tryptophan (N) 3/3/2016 Smeli_ML6_set3 94 2137364 35165 1354953 1352416 181 1042 263.474771089032 0.0232580006302776 0.911666028066203 1.41563439424087 1.13211455688008 0.0194147664641681 -0.0262655739563236 -0.0354956287162469 3.21603230074471 FALSE set3IT017 D-Serine (N) 3/3/2016 Smeli_ML6_set3 95 1793156 18162 1148355 1145967 155 1042 223.254821741672 0.0318300236312068 1.47916408759916 1.63765817001925 1.13211455688008 0.0314217756167901 -0.00886779780296744 -0.0452995294418235 4.12311419554717 FALSE set3IT018 D-Alanine (N) 3/3/2016 Smeli_ML6_set3 96 2711688 28525 1723977 1719780 239 1042 335.043834015196 -0.00691285413395528 1.11379184425036 1.48666095496562 1.13211455688008 0.0248380681152971 0.0290828920850451 -0.0263785554134287 3.32464127817813 FALSE set3IT019 Gly-DL-Asp (N) 3/3/2016 Smeli_ML6_set3 97 3376050 37510 2151416 2148485 301 1042 418.563218390805 0.157310310059484 0.284736654655185 1.15942763041887 1.13211455688008 0.149408592872357 -0.0356084950978777 -0.0749470751769666 1.75557503274944 TRUE set3IT020 L-Citrulline (N) 3/3/2016 Smeli_ML6_set3 98 3668625 41911 2327599 2323794 317 1042 452.716540035067 0.0519785491487922 0.505585448370942 1.25358795460143 1.13211455688008 0.0782432731517114 0.0136440637307552 -0.0598620237260641 1.94460338948472 FALSE set3IT021 Carnitine Hydrochloride (N) 3/3/2016 Smeli_ML6_set3 99 1711263 18818 1085187 1082257 144 1042 210.842976816676 0.0157591230338361 1.48934650940285 1.67563534923604 1.13211455688008 -0.0404717177830531 0.0113073267480708 0.00377300916714436 3.84025434012306 FALSE set3IT022 Gelatin (N) 3/3/2016 Smeli_ML6_set3 100 4945158 53572 3154160 3149036 438 1042 613.488408338204 0.170443668286492 0.284841231238504 1.17836305416173 1.13211455688008 0.143255526183593 0.032547152572375 -0.0791940157317558 2.17058406846073 TRUE set3IT023 Putrescine (N) 3/3/2016 Smeli_ML6_set3 101 2139187 27506 1360470 1357690 186 1042 264.502240405221 0.0733990162164836 0.653296014198179 1.30197174375185 1.13211455688008 0.0356576996554991 0.033719623745738 -0.0567540784749488 2.40791963517376 FALSE set3IT024 NAG (N) 3/3/2016 Smeli_ML6_set3 102 3610684 59634 2275189 2269972 309 1042 442.231053964543 0.184724756803952 0.311201431555783 1.1865908179183 1.13211455688008 0.159116475866024 0.00432924426753594 -0.0965599736064815 1.80185568906867 TRUE set3IT025 D-Glucosamine Hydrochloride (N) 3/3/2016 Smeli_ML6_set3 103 4726364 79715 2984726 2980339 411 1042 580.623222287162 0.165086766522068 0.332254474704429 1.16634578631193 1.13211455688008 0.102891361149004 0.0224737556215817 -0.082571503023138 2.83284476842319 TRUE set3IT026 Parabanic Acid (N) 3/3/2016 Smeli_ML6_set3 104 2899438 23304 2160619 2155501 150 1042 419.930060393532 0.0463511883571653 0.749967706512143 1.32746831948325 1.13211455688008 0.0423185816822777 0.0224358307376664 -0.0213620077199196 10.5317648639382 FALSE set3IT027 Uridine (N) 3/3/2016 Smeli_ML6_set3 105 3778959 81050 2380342 2371589 327 1042 462.02785895188 0.156650092416147 0.301726785191408 1.18630159001799 1.13211455688008 0.113402345394419 -0.00627694565987633 -0.0935562212144506 1.49190076866408 TRUE set3IT028 Cytidine (N) 3/3/2016 Smeli_ML6_set3 106 254416 3723 162224 161724 20 1042 31.5067212156634 0.0916490924236844 0.911404911522641 1.34792330342031 1.13211455688008 0.112201349374834 0.0405322900328455 -0.0107947456668734 3.07518302996446 FALSE set3IT029 Cytosine (N) 3/3/2016 Smeli_ML6_set3 107 3942253 44582 2503921 2497875 348 1042 486.630625365283 0.112753981220696 0.35727731855485 1.1875494930999 1.13211455688008 0.127621128858144 -0.0471544741937269 -0.0444652529352959 2.11696535750086 TRUE set3IT030 Glucuronamide (N) 3/3/2016 Smeli_ML6_set3 108 3627734 38390 2303584 2300103 321 1042 448.101110461718 0.0964521898338245 0.418633042391368 1.23375862601982 1.13211455688008 0.0782464074620826 0.0457749386017512 -0.0693642403227473 2.34678460856765 FALSE set3IT032 nitrate (N) 3/3/2016 Smeli_ML6_set3 110 3378232 63671 2136420 2133448 296 1042 415.633742450808 0.152741904963414 0.315751442128979 1.18704056379883 1.13211455688008 0.152169994762661 0.00660173226326828 -0.0777527416907479 2.40936309501204 TRUE set3IT033 Urea (N) 3/3/2016 Smeli_ML6_set3 111 4010817 80353 2526681 2520251 343 1042 490.989869472044 0.0559426993619829 0.694109553896224 1.30855651216243 1.13211455688008 0.0769308614781428 0.0171664399397738 -0.0687080906498858 2.84719399455336 FALSE set3IT034 Time0 3/3/2016 Smeli_ML6_set3 112 4277223 45473 2725419 2721982 395 649 530.290668225209 0.000724518669673765 0.289463797281241 1.13438153156973 1.14505562536811 -0.00508152620296945 -0.0130967420427222 -0.00371228401533487 2.2645014476588 FALSE set3IT035 Time0 3/3/2016 Smeli_ML6_set3 113 3973736 43615 2528908 2526227 363 681 492.154100915644 -0.0041309855506039 0.32188441030002 1.14907729181711 1.13673170546803 -0.00341727730304743 0.0474950529159514 0.00953661266164605 2.98031389967751 FALSE set3IT036 Time0 3/3/2016 Smeli_ML6_set3 114 3130800 34638 1992059 1989967 286 760 387.68108318722 -0.00989972355861051 0.361234264772118 1.18702006370333 1.13500458218965 -0.0295387044014453 0.0205486983840847 -0.00676420451339511 2.24154308513323 FALSE set3IT037 copper (II) chloride 1 mM 3/13/2016 Smeli_ML6_set3 115 4277556 69236 2700558 2696501 357 745 525.326514708747 0.12054482289088 0.39661246620885 1.20428833875119 1.15165620836001 0.127147037566596 0.0228784236816624 -0.00937859390929522 4.19655187201397 TRUE set3IT038 Paraquat dichloride 0.2 mg/ml 3/13/2016 Smeli_ML6_set3 116 4322694 51751 2778856 2775212 350 745 540.660822131307 0.192103332550479 0.295722037847185 1.2082044282147 1.15165620836001 0.113132013588425 0.0294777834769881 -0.0579074675073654 2.79470969402561 TRUE set3IT039 Paraquat dichloride 0.3 mg/ml 3/13/2016 Smeli_ML6_set3 117 3438828 39969 2213195 2210063 281 745 430.559711669589 0.164897102268561 0.309075700336307 1.15665568775389 1.15165620836001 0.123362219728232 0.0222182960687005 -0.0570360763498132 2.83587301263065 TRUE set3IT040 Thallium(I) acetate 0.001 mg/ml 3/13/2016 Smeli_ML6_set3 118 4777916 54647 3076915 3072743 389 745 598.625170465615 0.153674641113368 0.289825291366626 1.17209133299002 1.15165620836001 0.137822988645913 0.0162511442959404 -0.0593276160702088 2.81678733865156 TRUE set3IT041 Thallium(I) acetate 0.0025 mg/ml 3/13/2016 Smeli_ML6_set3 119 4214226 44607 2716344 2712708 343 745 528.483927527762 0.161663983996613 0.314621212287634 1.1926450779424 1.15165620836001 0.134414909688109 -0.0483571383912573 -0.0603268567891817 3.00378475258517 TRUE set3IT042 Cisplatin 0.0005 mg/ml 3/13/2016 Smeli_ML6_set3 120 3783495 47504 2436985 2433833 307 745 474.154100915644 0.154814732115242 0.331832509515955 1.19380730893922 1.15165620836001 0.145634054613214 0.0309243770018166 -0.0345432051080204 3.52901553388422 TRUE set3IT043 Cisplatin 0.001 mg/ml 3/13/2016 Smeli_ML6_set3 121 4007189 51241 2587051 2583646 316 745 503.340346775765 0.170751487589225 0.363067208870983 1.21993812228147 1.15165620836001 0.139679888748532 -0.00762952915769558 -0.0306757999324524 4.05554102605584 TRUE set3IT044 nitrite 20 mM 3/13/2016 Smeli_ML6_set3 122 4564308 45923 2912447 2908295 413 745 566.587765439314 0.0200025490769827 0.355894025830422 1.18341088119758 1.15165620836001 0.0409083732514212 -0.0126444778082149 -0.0330804981085611 2.27122459435819 FALSE set3IT045 nitrate 40 mM 3/13/2016 Smeli_ML6_set3 123 3948540 54789 2538912 2535356 303 745 493.932593025521 0.140778867590474 0.3297647526521 1.19615871138938 1.15165620836001 0.162779544021075 0.0273611311251797 -0.0302836070480646 3.90404808868379 TRUE set3IT046 Sisomicin 0.004 mg/ml 3/13/2016 Smeli_ML6_set3 124 4700319 34323 3015992 3011533 416 745 586.700370153906 0.15687186708424 0.29223357037084 1.18672718835799 1.15165620836001 0.14295253387152 0.0791390834837714 -0.0775258810890723 3.14200051544446 TRUE set3IT047 Time0 3/13/2016 Smeli_ML6_set3 125 3970160 42182 2524408 2521040 364 377 491.143580751997 -0.00430470766667467 0.278030015197251 1.15071068508122 1.15014177001344 0.0284818501831357 -0.0145681500674791 0.00700864873869383 2.13106329653671 FALSE set3IT048 Time0 3/13/2016 Smeli_ML6_set3 126 4115601 43066 2622297 2619045 377 364 510.236703682057 -0.00430470766667467 0.278030015197251 1.15014177001344 1.15071068508122 0.0284818501831357 -0.0145681500674791 -0.00700864873869384 2.0065034925709 FALSE set4IT049 Chlorite 0.1 mM 3/13/2016 Smeli_ML6_set4 127 3341496 59939 2114486 2111149 287 475 411.289499318138 0.1545269541648 0.37251986108502 1.18935167813248 1.14700797487875 0.138472395107455 0.0669874806457222 -0.0599964678100961 4.66306982932795 TRUE set4IT050 Polymyxin B sulfate 0.00005 mg/ml 3/13/2016 Smeli_ML6_set4 128 3297712 36767 2119756 2116559 270 475 412.34346386129 0.175579446119695 0.442736874257732 1.21677210823901 1.14700797487875 0.0997146095530894 0.00584150530565263 -0.0170351101006106 3.66822083544521 TRUE set4IT051 Time0 3/13/2016 Smeli_ML6_set4 129 2839195 30546 1805890 1803916 262 209 351.435028248588 -0.00649571062942999 0.377163749206959 1.18163507115686 1.14119583061849 0.00132271555524131 0.00244994754228762 0.0147796212109023 2.95089215057883 FALSE set4IT052 Time0 3/13/2016 Smeli_ML6_set4 130 2295002 24330 1461371 1459372 209 262 284.311708552503 -0.00649571062942999 0.377163749206959 1.14119583061849 1.18163507115686 0.00132271555524131 0.00244994754228762 -0.0147796212109026 3.29791549603814 FALSE set4IT053 Aluminum chloride 3/13/2016 Smeli_ML6_set4 131 2568795 26292 1638201 1635632 226 475 318.65030196766 0.151397289011012 0.33894523260448 1.17753818555219 1.14700797487875 0.067058351520636 -0.00811139114213282 -0.0595493889490472 2.64682667466388 TRUE set4IT054 Vancomycin 3/13/2016 Smeli_ML6_set4 132 2534738 28797 1619194 1616340 228 475 314.89187609585 0.0353075713520367 0.539368758889654 1.24792751344359 1.14700797487875 0.0505666174721708 0.00905302550294808 -0.0440785204639666 5.1864923575328 FALSE