name short t0set num nMapped nPastEnd nGenic nUsed gMed gMedt0 gMean cor12 mad12 mad12c mad12c_t0 opcor adjcor gccor maxFit u set1IT049 Time0 4/28/2014 pseudo3_N2E3_ML2_set1 1 2877440 22527 1650414 1623295 215 601.5 322.851034208433 0.0319090729414506 0.146048863407072 0.846454741746545 0.854149133536545 0.0053267393862154 0.0343943720415465 0.0410583478776335 1.03089008375033 FALSE set1IT050 Time0 4/28/2014 pseudo3_N2E3_ML2_set1 2 2776807 21633 1593624 1569105 205.5 605.5 312.07338902148 -0.0129058703666685 0.151717303041194 0.855610090664825 0.84245872301352 0.0147787099801323 0.0629597208700064 -0.0319155185093007 1.08930963646603 FALSE set1IT051 Time0 4/28/2014 pseudo3_N2E3_ML2_set1 3 2781620 21513 1597036 1572947 208 607 312.837509944312 -0.00476245548311913 0.148436031475877 0.873307995084137 0.850685278232975 -0.00281713755702582 -0.00908551192702562 -0.00615272978671967 0.828341702403214 FALSE set1IT052 Time0 4/28/2014 pseudo3_N2E3_ML2_set1 4 2489901 19392 1429544 1407584 186 628 279.949085123309 -0.0118080664599033 0.150722560888071 0.872828759534886 0.844673269973498 0.0265826608012147 -0.00922987691273842 0.010125051735925 1.62078021264947 FALSE set1IT053 D-Glucose (C) 4/28/2014 pseudo3_N2E3_ML2_set1 5 2283390 17528 1307840 1283744 181 812.5 255.319013524264 0.18629767934908 0.16565937157982 0.866144253265209 0.84799690655495 0.157289171968845 0.0391256488892046 -0.0231480969219001 1.20172062388908 TRUE set1IT054 D-Fructose (C) 4/28/2014 pseudo3_N2E3_ML2_set1 6 2853632 21383 1636864 1605835 226 812.5 319.378480509149 0.247005310239268 0.151430537571689 0.857980995127572 0.84799690655495 0.138054535009225 0.0888547371392929 -0.0195870516445901 2.29019286651333 TRUE set1IT055 Sucrose (C) 4/28/2014 pseudo3_N2E3_ML2_set1 7 2625393 29605 1493139 1463744 196 812.5 291.118536197295 0.241681315979218 0.17126969245371 0.874469117916141 0.84799690655495 0.149341301517752 0.0234040882143099 -0.100209152305099 3.34199121885999 TRUE set1IT056 D-Ribose (C) 4/28/2014 pseudo3_N2E3_ML2_set1 8 2800117 19973 1603695 1573180 214 812.5 312.88385043755 0.274860050229109 0.15866606927142 0.861265507710462 0.84799690655495 0.134947667966495 0.018423768572706 -0.0192896148474689 4.67010630585568 TRUE set1IT057 a-Ketoglutaric (C) 4/28/2014 pseudo3_N2E3_ML2_set1 9 2319312 16904 1330760 1307183 175 812.5 259.980708035004 0.250738973393157 0.191976402482764 0.88835464417109 0.84799690655495 0.155931309730825 0.050872889903209 -0.0237991082443238 3.405555850337 TRUE set1IT058 D-Gluconic Acid (C) 4/28/2014 pseudo3_N2E3_ML2_set1 10 2798648 21975 1601526 1570992 223 812.5 312.448687350835 0.185411783624826 0.15692766478122 0.854149133536545 0.84799690655495 0.174335931490288 0.0329183522022112 -0.0280031899070701 1.38429975059546 TRUE set1IT059 acetate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 11 3054811 15342 1792350 1764789 149 812.5 350.992243436754 0.258844458408446 0.380356839165027 1.0432120668213 0.84799690655495 0.12919443592879 0.0214929167699183 0.0143013658479065 6.41449127278193 TRUE set1IT060 Fumarate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 12 2579120 19946 1477275 1450843 203 812.5 288.552704852824 0.17866763977064 0.170939496886147 0.869415890189856 0.84799690655495 0.0983017529587458 0.0523702318100892 -0.0138971483273626 2.385597434901 TRUE set1IT061 Trisodium citrate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 13 2649181 18707 1516533 1489333 205 812.5 296.207836117741 0.261964157609884 0.177075749761762 0.875304252550685 0.84799690655495 0.171588964867469 -0.000965577933229575 -0.0380408312997373 2.68743968042387 TRUE set1IT062 D-Lactate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 14 2978463 23594 1706923 1674653 225 812.5 333.065433571997 0.258089948969978 0.166613896634438 0.87924784053939 0.84799690655495 0.14348022237529 0.0350569648876835 -0.0625728445808467 3.31039637178678 TRUE set1IT063 L-Lactate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 15 2754514 21120 1579716 1551000 217 812.5 308.472553699284 0.205161766731269 0.155736878626988 0.865863327348464 0.84799690655495 0.122592514466278 0.0738741153534028 -0.0403903429762913 2.20395284154509 TRUE set1IT064 D,L-Lactate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 16 2396229 12583 1378607 1353469 185 812.5 269.186356404137 0.222568804808597 0.17339514191585 0.862496476250065 0.84799690655495 0.177515226425273 -0.00561897035494869 -0.0393053545927974 2.65781635319228 TRUE set1IT065 pyruvate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 17 1878072 8884 1083485 1063358 145 812.5 211.487271280827 0.209034431577667 0.205415853605106 0.867896463992655 0.84799690655495 0.151821771006849 0.0238234307722766 -0.0245546487853681 3.09665654341222 TRUE set1IT066 succinate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 18 2549922 20234 1466794 1441066 195 812.5 286.608194112967 0.190871053311938 0.168089639215844 0.893084796083488 0.84799690655495 0.118553804567419 0.0512013915294492 -0.0084878972346024 3.60492090505414 TRUE set1IT067 propionate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 19 2519960 9433 1376938 1353983 152 812.5 269.288583929992 0.392985510489582 0.23205015493232 0.944043594025984 0.84799690655495 0.271465218360571 0.0382432376983728 -0.0281721653439302 5.0107188793083 TRUE set1IT068 D-Glucose (C) 4/28/2014 pseudo3_N2E3_ML2_set1 20 2012112 15366 1152647 1131403 160 812.5 225.020485282418 0.175064433099595 0.178398348312315 0.853610513018477 0.84799690655495 0.135327219727308 -0.00216993594314778 -0.0240524281404149 1.11796688810097 TRUE set1IT069 D-Fructose (C) 4/28/2014 pseudo3_N2E3_ML2_set1 21 2169302 16510 1244005 1220779 170 812.5 242.796141607001 0.233433672750737 0.173770557639717 0.861293729168407 0.84799690655495 0.151602435493163 0.0610620778819192 -0.0271782702498167 2.58606709199794 TRUE set1IT070 Sucrose (C) 4/28/2014 pseudo3_N2E3_ML2_set1 22 2204422 21225 1250458 1226907 170 812.5 244.01491646778 0.231837632013262 0.174052563895255 0.887525270741587 0.84799690655495 0.159010834852194 0.0425556732731567 -0.076039844154117 1.64922761168178 TRUE set1IT071 D-Ribose (C) 4/28/2014 pseudo3_N2E3_ML2_set1 23 2287177 15841 1310297 1285285 172 812.5 255.625497215593 0.255033680284065 0.173598031465067 0.876851769227135 0.84799690655495 0.143192365137539 0.023497282079873 -0.0222360313402477 4.84187179048687 TRUE set1IT072 a-Ketoglutaric (C) 4/28/2014 pseudo3_N2E3_ML2_set1 24 2710584 20590 1552526 1524019 214 812.5 303.106404136834 0.189969442956083 0.164561354228975 0.868584561664285 0.84799690655495 0.140711448700563 0.0248591741951566 -0.0304285548418799 2.17426692112862 TRUE set1IT073 D-Gluconic Acid (C) 4/28/2014 pseudo3_N2E3_ML2_set1 25 2006284 15421 1149448 1127915 160 812.5 224.32677008751 0.177829364385041 0.165880010379917 0.862496476250064 0.84799690655495 0.137804235651983 0.0472995757060779 -0.0351875846152768 1.23776246432008 TRUE set1IT074 acetate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 26 1986432 10013 1151139 1133768 117 812.5 225.490851233095 0.338088918748317 0.268979185574 0.975868337527102 0.84799690655495 0.194307129041303 0.0460766517322365 0.0110507956941934 6.07879006908441 TRUE set1IT075 Fumarate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 27 2075166 15411 1189368 1168315 165 812.5 232.361774065235 0.196378889812978 0.169964709260942 0.862496476250065 0.84799690655495 0.137897338250857 0.0424989994831513 -0.0311585911651767 1.84422374900585 TRUE set1IT076 Trisodium citrate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 28 2681850 19014 1537355 1509315 212 812.5 300.181980906921 0.262694106463925 0.163922333710561 0.872888082096661 0.84799690655495 0.201149333678643 0.0485132705649498 -0.0359506080832055 2.75444912663025 TRUE set1IT077 D-Lactate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 29 2243331 17270 1285686 1261677 175 812.5 250.930190930788 0.209568004447049 0.170288896206312 0.868210127444458 0.84799690655495 0.136927836345027 0.0036016524665483 -0.0519622665834407 2.56080259145128 TRUE set1IT078 L-Lactate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 30 2545339 19846 1459349 1432358 200 812.5 284.876292760541 0.182464782495173 0.160094428272024 0.872888082096661 0.84799690655495 0.140145717743708 -0.0141378431300632 -0.0458974040043582 2.00475378744811 TRUE set1IT079 D,L-Lactate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 31 2632260 13384 1513477 1485832 208.5 812.5 295.51153540175 0.2232068939412 0.153019979236912 0.859137464160151 0.84799690655495 0.190693999462857 0.0219708103744073 -0.0380830758097199 1.73515576975429 TRUE set1IT080 pyruvate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 32 1686576 7571 971161 953555 134 812.5 189.648965791567 0.189440874670887 0.188758435848185 0.877744249949002 0.84799690655495 0.0929016574240954 0.0184440920450774 -0.0312554970579972 1.85869594568831 TRUE set1IT081 succinate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 33 2024264 16092 1162532 1141742 158 812.5 227.07677008751 0.167738419204953 0.184826421855393 0.887180169665695 0.84799690655495 0.137882404575535 0.0646351543454773 -0.0301625482233094 3.61302294792047 TRUE set1IT082 propionate (C) 4/28/2014 pseudo3_N2E3_ML2_set1 34 1820087 6191 929894 915265 100 812.5 182.033611774065 0.357753681246956 0.248392142051824 0.915111102413487 0.84799690655495 0.209521516993706 0.0753933344641626 -0.0142974045279875 4.64581090218134 TRUE set1IT083 Nickel (II) chloride 0.625 mM 4/28/2014 pseudo3_N2E3_ML2_set1 35 2095778 15362 1201640 1181685 165 812.5 235.020883054893 0.214179781836424 0.199495741547327 0.88318633501725 0.84799690655495 0.165642101555683 0.0295360852827209 -0.024611821199115 1.48967099674915 TRUE set1IT084 Cobalt chloride 0.16 mM 4/28/2014 pseudo3_N2E3_ML2_set1 36 2164085 15207 1242474 1220704 173 812.5 242.78122513922 0.143722517189203 0.206583698169103 0.884522782580064 0.84799690655495 0.107287892848722 0.00480323838401218 0.000893117995660509 2.91269093771309 TRUE set1IT085 Cobalt chloride 0.32 mM 4/28/2014 pseudo3_N2E3_ML2_set1 37 1812625 12128 1054716 1034497 138 812.5 205.747215592681 0.191274047541607 0.226930187208419 0.865549800227619 0.84799690655495 0.164601745559092 0.0376310576506278 -0.00784901569157153 8.24134232639253 TRUE set1IT086 copper (II) chloride 2.5 mM 4/28/2014 pseudo3_N2E3_ML2_set1 38 1862837 14187 1065695 1046551 149 812.5 208.144590294352 0.154964240676555 0.225898222406534 0.886541950216716 0.84799690655495 0.160128423520942 0.0268518599828935 -0.0445797572867212 1.11977924302713 TRUE set1IT087 sodium fluoride 6.25 mM 4/28/2014 pseudo3_N2E3_ML2_set1 39 1644283 11528 943398 927469 131 812.5 184.460819411297 0.137181746567754 0.219796878264369 0.887525270741587 0.84799690655495 0.102423013872874 0.064128163010952 0.0147108227760848 2.9887690501394 TRUE set1IT088 sodium fluoride 12.5 mM 4/28/2014 pseudo3_N2E3_ML2_set1 40 1880697 15018 1081680 1057255 143 812.5 210.273468575975 0.0656425285889717 0.218008543395406 0.890375508825501 0.84799690655495 0.0404209913759602 0.000534662210357267 0.013853728679463 9.18326382386829 FALSE set1IT089 Paraquat dichloride 0.032 mg/mL 4/28/2014 pseudo3_N2E3_ML2_set1 41 2266575 7176 754521 743424 82 812.5 147.856801909308 0.175984722875952 0.283921346438514 0.902702798645085 0.84799690655495 0.159661894520776 0.00850478165244502 -0.0146016453008549 8.18012262920034 TRUE set1IT090 Nickel (II) chloride 0.625 mM 4/28/2014 pseudo3_N2E3_ML2_set1 42 1320299 10385 754592 741557 104 812.5 147.485481304694 0.187818620223476 0.238430208402819 0.889817082249578 0.84799690655495 0.131015489289458 0.0675682957394414 0.00620991192126825 2.43070433805331 TRUE set1IT091 Cobalt chloride 0.16 mM 4/28/2014 pseudo3_N2E3_ML2_set1 43 2365541 17401 1356682 1332787 189 812.5 265.072991249006 0.145236285114826 0.189006270966569 0.872620693523772 0.84799690655495 0.101281024737926 0.0564745298374828 -0.0446930170833815 2.78240688230287 TRUE set1IT092 Cobalt chloride 0.32 mM 4/28/2014 pseudo3_N2E3_ML2_set1 44 2056731 13361 1226339 1198697 149 812.5 238.404335719968 0.172498204550517 0.229388602804568 0.901819606061096 0.84799690655495 0.0839167958024851 0.0519071737926398 -0.0330172642625224 9.515409258782 TRUE set1IT093 copper (II) chloride 2.5 mM 4/28/2014 pseudo3_N2E3_ML2_set1 45 1471020 11281 841223 825744 116 812.5 164.229116945107 0.177124844679625 0.258786748075118 0.881355503501381 0.84799690655495 0.127845843672911 0.0591460764857303 -0.0324002665451434 1.97683779058811 TRUE set2IT002 Paraquat dichloride 0.0625 mg/ml 4/28/2014 pseudo3_N2E3_ML2_set2 50 2268515 1163 117819 115716 13 118 23.0143198090692 0.060112466270757 0.357436255539323 1 0.857980995127572 0.0386111694013072 0.0185796627797081 0.0143097773409412 6.72486513068912 FALSE set2IT003 Thallium(I) acetate 0.008 mg/ml 4/28/2014 pseudo3_N2E3_ML2_set2 51 1808481 13498 1039357 1019777 143 118 202.819610182975 0.143079410647547 0.238071722599539 0.883675882032768 0.857980995127572 0.0830765090532809 -0.0249797516864914 0.0134131534406309 5.48390958378397 TRUE set2IT004 Thallium(I) acetate 0.016 mg/ml 4/28/2014 pseudo3_N2E3_ML2_set2 52 1767803 13638 1020979 1002086 139 118 199.301113762928 0.137264818048273 0.240850557205958 0.876800935202327 0.857980995127572 0.0869413631041814 -0.0316503590266336 0.0401994961792525 6.94765027517454 TRUE set2IT005 Cisplatin 0.006 mg/ml 4/28/2014 pseudo3_N2E3_ML2_set2 53 1851702 12018 1043289 1023729 138 118 203.605608591885 0.185871293842341 0.389477213646835 1 0.857980995127572 0.0995878128705487 0.0173301504168328 -0.00562183504044708 5.28588508824072 TRUE set2IT006 LB 4/28/2014 pseudo3_N2E3_ML2_set2 54 2025248 14727 1165495 1144704 162 118 227.665871121718 0.0930243669545674 0.234912192716109 0.874469117916141 0.857980995127572 0.069701138535398 0.014239063989692 0.024397363904843 1.6770782152173 FALSE set2IT007 Paraquat dichloride 0.0625 mg/ml 4/28/2014 pseudo3_N2E3_ML2_set2 55 2127530 1919 186338 183362 21 118 36.4681782020684 0.0561312729011266 0.366965454809469 0.893084796083488 0.857980995127572 0.0665725172657245 -0.00858252624846854 0.0142609607976717 7.2373607395201 FALSE set2IT008 Thallium(I) acetate 0.008 mg/ml 4/28/2014 pseudo3_N2E3_ML2_set2 56 1931582 14566 1109759 1088689 155 118 216.525258552108 0.133382709610191 0.24260967391767 0.881355503501381 0.857980995127572 0.105535751142447 0.016359147803519 0.0248572437339367 5.29582521299108 TRUE set2IT009 Thallium(I) acetate 0.016 mg/ml 4/28/2014 pseudo3_N2E3_ML2_set2 57 2005809 14600 1159405 1138320 155 118 226.396181384248 0.16202028981355 0.235614354794609 0.884522782580064 0.857980995127572 0.0906041452808966 -0.00210528937460418 0.0425322790947301 7.15723461781038 TRUE set2IT010 Cisplatin 0.006 mg/ml 4/28/2014 pseudo3_N2E3_ML2_set2 58 2112567 13501 1191839 1169919 160 118 232.680787589499 0.188575691429362 0.386525878365243 0.98332125885337 0.857980995127572 0.122649156078114 -0.0180136055165586 0.0046611303636279 4.96157664565377 TRUE set2IT011 LB 4/28/2014 pseudo3_N2E3_ML2_set2 59 1978005 14472 1133370 1113186 157 118 221.397374701671 0.110583715410737 0.236174215568345 0.864344900642434 0.857980995127572 0.0613471631503612 0.0155425813752253 0.0389761828211417 1.73776667976658 TRUE set2IT012 D-Mannitol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 60 2078868 14294 1153151 1131412 155 467.5 225.022275258552 0.214708511394337 0.186085669732324 0.877515993475005 0.84799690655495 0.169140284476107 0.0180054377486674 -0.0285091290427263 1.24006725660512 TRUE set2IT013 4-Hydroxybenzoic Acid (C) 6/11/2014 pseudo3_N2E3_ML2_set2 61 1991944 200 248352 248063 2 467.5 49.3363166268894 0.099399738777955 0.31154443714359 1 0.84799690655495 0.0823769237939417 -0.0199888073272158 -0.020389790966781 2.30188512314118 FALSE set2IT014 m-Inositol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 62 1641716 10095 844699 830460 111 467.5 165.167064439141 0.216013661998624 0.215066822692515 0.888968687611256 0.84799690655495 0.209549259733314 0.0595771961176429 -0.0242119231694347 1.51432493778758 TRUE set2IT015 Ethanol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 63 1732055 6004 740465 727993 90 467.5 144.787788385044 0.175905946123165 0.230358021598295 0.865070419913891 0.84799690655495 0.124922694372373 0.0240490306840004 -0.00933824894328784 1.36244480869143 TRUE set2IT016 Glycerol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 64 1877357 13781 1072813 1053033 147 467.5 209.433770883055 0.217403565744269 0.188729179216722 0.866733469136536 0.84799690655495 0.145081697071043 0.0106680977016854 -0.0403516584418563 1.66371907239229 TRUE set2IT017 D-Sorbitol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 65 1734487 342 239531 238891 5 467.5 47.5121320604614 0.0563945664829688 0.356659126646247 1 0.84799690655495 0.0335110580719639 -0.00988468814464841 5.17449994049786e-05 2.33584631994604 FALSE set2IT018 Tween 20 (C) 6/11/2014 pseudo3_N2E3_ML2_set2 66 1730059 11459 908325 891555 125 467.5 177.318019093079 0.209712846584528 0.196805430045303 0.878321443411748 0.84799690655495 0.129125349459115 0.0238496808552271 -0.0248138123196433 1.36357801544779 TRUE set2IT019 L-Malic (C) 6/11/2014 pseudo3_N2E3_ML2_set2 67 1763281 12907 998396 980286 138 467.5 194.965393794749 0.136735471293578 0.192673087768047 0.853158611670729 0.84799690655495 0.128605937989363 -0.00666970205929819 -0.0229864174287841 1.49443085357407 TRUE set2IT020 D-Trehalose (C) 6/11/2014 pseudo3_N2E3_ML2_set2 68 1708186 12929 980116 960464 133 467.5 191.0230708035 0.240437717047267 0.20294463640002 0.887525270741587 0.84799690655495 0.181582480431193 0.00304065804941705 -0.0310843012974901 2.67789207461041 TRUE set2IT021 L-Arginine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 69 1758859 12723 987762 969251 135 467.5 192.770684168656 0.222818997787595 0.194203274641381 0.878009475621389 0.84799690655495 0.159060390195286 0.00264039581783525 -0.0475707471651621 2.79645359723691 TRUE set2IT022 L-Histidine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 70 1801411 13275 1032069 1013409 142 467.5 201.553102625298 0.231852059669341 0.183463402228496 0.880701071627655 0.84799690655495 0.183965782890333 0.0284979164683202 -0.0459603335948614 1.20482194691798 TRUE set2IT023 L-Lysine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 71 1493558 875 271043 269468 8 467.5 53.593476531424 0.0969525884886728 0.395098674409018 1 0.84799690655495 0.0673224948116997 0.0252531201988357 -0.0091655135616661 7.77192435834727 FALSE set2IT024 L-Aspartic Acid (C) 6/11/2014 pseudo3_N2E3_ML2_set2 72 1622700 3797 635297 625248 76 467.5 124.353221957041 0.142369704565439 0.250871713323233 0.879705766282289 0.84799690655495 0.0420556639567037 0.0511937935399385 -0.0125984164974607 2.79842358318515 TRUE set2IT025 L-Glutamic (C) 6/11/2014 pseudo3_N2E3_ML2_set2 73 1891520 14338 1084616 1064080 148 467.5 211.630867143994 0.186371733023539 0.178517716844057 0.868088324494419 0.84799690655495 0.106255750375481 -0.0111298186123679 -0.0305312851870709 2.0472353173201 TRUE set2IT026 L-Serine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 74 1466736 6178 709973 702421 47 467.5 139.701869530628 0.12230583377219 0.334860258077103 1 0.84799690655495 0.0939454082860535 0.0375655964393133 -0.0197411423381157 6.95900914894621 FALSE set2IT027 L-Asparagine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 75 1982618 14358 1111648 1090973 148 467.5 216.979514717582 0.191236773344732 0.187576811422303 0.876516946564999 0.84799690655495 0.153080586000263 0.0835050784255151 -0.0135010937252315 3.25170358955965 TRUE set2IT028 L-Glutamine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 76 1928287 14576 1103822 1082921 153 467.5 215.378082736675 0.17758426287871 0.180111020275445 0.862496476250065 0.84799690655495 0.195796533769123 0.0611104636917634 -0.0362704332029284 1.23719616510674 TRUE set2IT029 L-Proline (C) 6/11/2014 pseudo3_N2E3_ML2_set2 77 1993543 14995 1128527 1107772 152 467.5 220.320604614161 0.191414615791765 0.181652149528072 0.876851769227135 0.84799690655495 0.128441993959362 -0.0190139434804863 -0.0160030764216961 3.22397164520921 TRUE set2IT030 D-Mannitol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 78 1859427 12917 1032131 1012615 140 467.5 201.395186953063 0.208370093466742 0.183827227933566 0.872620693523772 0.84799690655495 0.152120665469682 0.0404620111578858 -0.031450337064427 1.20593258347427 TRUE set2IT031 4-Hydroxybenzoic Acid (C) 6/11/2014 pseudo3_N2E3_ML2_set2 79 1488801 192 216118 215868 2 467.5 42.9331742243437 0.102565381466534 0.300655460261055 1 0.84799690655495 0.0868111713905253 0.00996405756129768 -0.00937111938007701 2.50542892457435 FALSE set2IT032 m-Inositol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 80 1865146 12071 991957 973927 131 467.5 193.700676213206 0.25516792747732 0.195866690138539 0.865863327348464 0.84799690655495 0.191172078669088 0.0197125883174686 -0.0142915986492199 1.45595835406018 TRUE set2IT033 Ethanol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 81 1624996 6357 732678 720071 91 467.5 143.212211614956 0.179721814117104 0.215822075301538 0.878009475621389 0.84799690655495 0.136166515328327 0.0482571037019631 -0.0194138328308772 1.44075749808141 TRUE set2IT034 Glycerol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 82 2169202 16321 1239316 1215703 170 467.5 241.786595067621 0.190409190051734 0.181611525917736 0.866733469136536 0.84799690655495 0.186942921143994 -0.0422091876988386 -0.0409219433747218 1.67717336330359 TRUE set2IT035 D-Sorbitol (C) 6/11/2014 pseudo3_N2E3_ML2_set2 83 1422207 326 220346 219771 4 467.5 43.7094272076372 0.0903254798927805 0.343283726971578 1 0.84799690655495 0.0393630768355521 -0.00727536337227613 -0.00266113349234421 2.35005258291468 FALSE set2IT036 Tween 20 (C) 6/11/2014 pseudo3_N2E3_ML2_set2 84 2002379 13518 1072536 1052021 146 467.5 209.232498011138 0.180730699685948 0.188313670942059 0.852442811586142 0.84799690655495 0.147856329132843 -0.0119409281534741 -0.0311103411587691 1.36115807740435 TRUE set2IT037 L-Malic (C) 6/11/2014 pseudo3_N2E3_ML2_set2 85 1965053 14718 1118459 1097535 155 467.5 218.284606205251 0.180048352895126 0.185420394425822 0.84799690655495 0.84799690655495 0.115534963425623 -0.0265182671014904 -0.0338153391793796 1.42857701496951 TRUE set2IT038 D-Trehalose (C) 6/11/2014 pseudo3_N2E3_ML2_set2 86 1322548 9740 758308 743505 103 467.5 147.872911694511 0.244296406955434 0.222616395622807 0.87308788751778 0.84799690655495 0.161983086097034 0.0124794898436068 -0.0321752022888194 2.42962235968803 TRUE set2IT039 L-Arginine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 87 1914145 14427 1074588 1054090 148 467.5 209.64399363564 0.22052938272845 0.179996754289806 0.865070419913891 0.84799690655495 0.146421346882168 0.0279890745308148 -0.0549401885758057 2.88805417114656 TRUE set2IT040 L-Histidine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 88 2145028 15781 1229934 1206643 171 467.5 239.984685759745 0.210373635092564 0.174293066985603 0.87446911791614 0.84799690655495 0.179056616392238 0.0497762167005708 -0.0370837975968083 1.04806054372486 TRUE set2IT041 L-Lysine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 89 1848864 1189 364437 362213 12 467.5 72.0391805887033 0.143829902696058 0.367891482362817 1 0.84799690655495 0.0575847018506813 -0.0343724589643901 -0.0302624816947683 7.56192010706505 FALSE set2IT042 L-Aspartic Acid (C) 6/11/2014 pseudo3_N2E3_ML2_set2 90 1916944 5265 801559 788413 96 467.5 156.804494828958 0.151431433554403 0.215226417350114 0.881355503501381 0.84799690655495 0.0571332025935284 0.019488505829894 -0.0135405191248239 3.07184333008884 TRUE set2IT043 L-Glutamic (C) 6/11/2014 pseudo3_N2E3_ML2_set2 91 2043018 15511 1170512 1148406 162 467.5 228.40214797136 0.164415756845937 0.172080332506812 0.881355503501381 0.84799690655495 0.130164052527813 0.038231944317663 -0.0259433262600144 1.99314707692753 TRUE set2IT044 L-Serine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 92 2383358 8721 1351432 1338743 72 467.5 266.257557677009 0.152729349971172 0.258619412654413 0.935869662580284 0.84799690655495 0.052044487958183 0.0652814368110628 -0.018981900360817 6.67748279768515 TRUE set2IT045 L-Asparagine (C) 6/11/2014 pseudo3_N2E3_ML2_set2 93 2400773 17035 1345396 1320836 182 467.5 262.696101829753 0.185915490903058 0.183934049814399 0.881011963782913 0.84799690655495 0.126027038767168 -0.016605067730408 -0.0174618217176506 3.14041803568344 TRUE set2IT046 Time0 6/11/2014 pseudo3_N2E3_ML2_set2 94 2303192 17436 1322519 1302172 170 297 258.984089101034 0.0183982916967789 0.172243447885041 0.867615446875078 0.8398055713293 0.00920445643734916 0.0112590589546678 0.017367844814968 1.76891047526661 FALSE set2IT047 Time0 6/11/2014 pseudo3_N2E3_ML2_set2 95 1997799 15583 1147976 1129803 147 321 224.702267303103 0.00497339731181273 0.178505234696853 0.863019097172603 0.853158611670729 0.0144753461265747 -0.03110682970662 -0.00683134392573936 1.65084895668649 FALSE set2IT048 Time0 6/11/2014 pseudo3_N2E3_ML2_set2 96 2025336 15784 1161954 1143475 149 319 227.421439936356 0.0202320214873997 0.181022149452582 0.850856560694191 0.85982234195174 0.0186978554157511 0.039690068698478 0.0106418051041236 1.13764222654144 FALSE set3IT050 L-Glutamine (C) 6/11/2014 pseudo3_N2E3_ML2_set3 98 1993171 15195 1141671 1119848 159 150 222.722354813047 0.158346563039851 0.214798571830922 0.86754970397635 0.862496476250065 0.121853880492166 0.0318915407283935 -0.053096935155592 1.75536741409425 TRUE set3IT051 L-Proline (C) 6/11/2014 pseudo3_N2E3_ML2_set3 99 1920158 14445 1088904 1068740 147 150 212.557677008751 0.169231003975183 0.209582435206676 0.865070419913891 0.862496476250065 0.149726850009459 0.0141551843652731 -0.0287172724129722 3.09313251923778 TRUE set3IT052 Time0 6/18/2014 pseudo3_N2E3_ML2_set3 100 1926196 14847 1104124 1087066 140 437.5 216.20246618934 -0.020022839551242 0.180591746333651 0.869939459435627 0.860643613614924 -0.025736639274501 0.0310550277704165 0.00863054429521462 1.06561100382201 FALSE set3IT053 Time0 6/18/2014 pseudo3_N2E3_ML2_set3 101 1894105 14571 1086729 1069978 138 439 212.803898170247 -0.0114298264701714 0.172872460440549 0.854149133536546 0.863795616401688 0.0524632313016456 -0.0149006819509943 -0.00664805523916268 1.33043158849106 FALSE set3IT054 Time0 6/18/2014 pseudo3_N2E3_ML2_set3 102 2129089 16451 1221618 1202601 156 421 239.180787589499 -0.0178656505540709 0.167614479732082 0.864344900642434 0.866416845621408 -0.0554427603441274 0.00861382255480447 0.0108302491035929 1.11546400186977 FALSE set3IT055 Time0 6/18/2014 pseudo3_N2E3_ML2_set3 103 1945104 14796 1115910 1098722 141 435 218.520684168656 -0.0252610575660752 0.181247586939406 0.871992387623929 0.860898768696234 -0.0431520956503118 -0.0303528633781306 0.0215205844540799 1.06376231993725 FALSE set3IT056 nitrite 10 mM 6/18/2014 pseudo3_N2E3_ML2_set3 104 2125269 16162 1221608 1199679 168 577 238.599642004773 0.107146154737088 0.192154862019911 0.880852734706995 0.861480135918572 0.0897283453300113 0.0201036960460105 0.00603187152917256 1.53024497910282 TRUE set3IT057 nitrate 200 mM 6/18/2014 pseudo3_N2E3_ML2_set3 105 1887916 14618 1076677 1054694 140 577 209.764120922832 0.304262554946384 0.233919349278566 0.901436165516411 0.861480135918572 0.192328445749394 0.0691867204870036 0.00519133225214484 3.59647461756441 TRUE set3IT058 Sisomicin 0.008 mg/ml 6/18/2014 pseudo3_N2E3_ML2_set3 106 2009883 14846 1180719 1150714 76 577 228.861177406523 0.269723351947048 0.328206058284648 1 0.861480135918572 0.204220105912135 0.0739996784618405 -0.0390706605507574 9.04590867708058 TRUE set3IT059 Chlorite 0.16 mM 6/18/2014 pseudo3_N2E3_ML2_set3 107 2026928 15267 1162374 1141029 160 577 226.934964200477 0.128793169580372 0.189524833879791 0.87308788751778 0.861480135918572 0.0755839529717917 0.0360389983214324 0.032639690826811 1.86670456124754 TRUE set3IT060 perchlorate 75 mM 6/18/2014 pseudo3_N2E3_ML2_set3 108 1932038 14546 1098624 1076363 135 577 214.073786793954 0.281102382641202 0.214792812464323 0.905003486064254 0.861480135918572 0.176608722047649 0.0596758226566105 -0.00228159194675072 4.60511653806583 TRUE set3IT061 Polymyxin B sulfate 4 mg/ml 6/18/2014 pseudo3_N2E3_ML2_set3 109 2096356 16643 1201886 1180325 163 577 234.750397772474 0.188020317245943 0.188214551259642 0.874469117916141 0.861480135918572 0.138010040813289 0.0472539751056955 -0.00216672702895519 1.45593304332642 TRUE set3IT062 Chloride 500 mM 6/18/2014 pseudo3_N2E3_ML2_set3 110 2251070 17115 1289809 1266408 176.5 577 251.871121718377 0.19501233726669 0.182002181241048 0.899237023065083 0.861480135918572 0.101840042815178 0.0826936999972732 -0.00692263927222609 1.20328390767537 TRUE set3IT063 LB 6/18/2014 pseudo3_N2E3_ML2_set3 111 2073732 15060 1190950 1169169 165 577 232.531622911695 0.0939590414236958 0.182306547286876 0.862496476250065 0.861480135918572 0.020675083581726 0.0164581071012321 -0.0097132486436495 1.55171464973762 FALSE set3IT064 Benzethonium chloride 0.025 mM 6/18/2014 pseudo3_N2E3_ML2_set3 112 1880251 14969 1076759 1056070 149 577 210.037788385044 0.183112218071083 0.201338054526001 0.879705766282289 0.861480135918572 0.151341035384143 0.00670606228551101 0.00190146045960064 2.81168400561031 TRUE set3IT065 Aluminum chloride 10 mM 6/18/2014 pseudo3_N2E3_ML2_set3 113 405396 3403 233250 228690 31 577 45.4832935560859 -0.003918554469094 0.827769421522071 1.34395440121736 0.861480135918572 -0.0327098524209882 -0.00806872013644369 -0.0113659854881995 4.25055438674098 FALSE set3IT066 benzoic 0.58 mg/ml 6/18/2014 pseudo3_N2E3_ML2_set3 114 1990514 14776 1140609 1119659 158 577 222.68476531424 0.13822328777782 0.192483151064863 0.871415793938588 0.861480135918572 0.144292142869728 0.00600989528269966 0.0207384020791178 1.44854389998965 TRUE set3IT067 Phosphomycin 0.06 mg/ml 6/18/2014 pseudo3_N2E3_ML2_set3 115 2242550 3156 1583449 1574232 2 577 313.09307875895 0.122589941473842 0.305275966034421 1 0.861480135918572 0.053752712918246 0.0840890669671344 -0.0199869662618941 13.9927593602644 FALSE set3IT068 Phosphomycin 0.09 mg/ml 6/18/2014 pseudo3_N2E3_ML2_set3 116 2018179 5248 1412885 1409280 2 577 280.286396181384 0.126466640703149 0.313251626720517 1 0.861480135918572 0.0801792481586483 0.080608046515281 -0.0251615854865999 13.9754702375714 FALSE set3IT069 Bacitracin 2 mg/ml 6/18/2014 pseudo3_N2E3_ML2_set3 117 1845424 14356 1057987 1037803 148 577 206.404733492442 0.0688282870832891 0.200810047389942 0.872888082096661 0.861480135918572 0.114819368218229 0.0143586861223987 0.00381265850778745 1.24272506167178 FALSE set3IT070 Fusidic 0.125 mg/ml 6/18/2014 pseudo3_N2E3_ML2_set3 118 1891661 14800 1084634 1061625 141 577 211.142601431981 0.298125759015777 0.242372398235043 0.902702798645085 0.861480135918572 0.185026252898964 0.081514573945356 -0.0113506796040271 6.98779205530635 TRUE set3IT071 Dimethyl Sulfoxide 5 vol% 6/18/2014 pseudo3_N2E3_ML2_set3 119 1884746 13032 1082085 1061666 153 577 211.150755767701 0.0806735937541661 0.191096659556224 0.86367852878722 0.861480135918572 0.0917404043510992 -0.00709851668834023 0.0212851425609252 1.1108828455864 FALSE set3IT072 Dimethyl Sulfoxide 7.5 vol% 6/18/2014 pseudo3_N2E3_ML2_set3 120 1941593 13524 1114633 1093723 155.5 577 217.526451869531 0.104750056721186 0.191719493957878 0.878834310477544 0.861480135918572 0.0733868696535646 0.0080431489466099 0.0225936641803205 1.07221179616198 TRUE set3IT073 LB 6/18/2014 pseudo3_N2E3_ML2_set3 121 1831079 13561 1050150 1031415 146 577 205.134248210024 0.0961611107264363 0.191830260879663 0.84799690655495 0.861480135918572 0.116001216508614 0.0522498715401618 -0.0103969836979604 1.22472671016514 FALSE set3IT074 Time0 6/26/2014 pseudo3_N2E3_ML2_set3 122 1704633 13334 978563 963608 125 434 191.648369132856 -0.0193915809434309 0.18638847837941 0.855610090664825 0.851403507998199 -0.0185088643619453 -0.0424575101682845 0.0147137776819259 1.10927745302546 FALSE set3IT075 Time0 6/26/2014 pseudo3_N2E3_ML2_set3 123 1804708 14088 1035569 1019557 134 423 202.775855210819 0.0072297334411426 0.173472032317413 0.854149133536546 0.845490050944375 -0.00145393094071589 0.0136224600976349 0.0308995384468478 1.44425929227963 FALSE set3IT076 Time0 6/26/2014 pseudo3_N2E3_ML2_set3 124 2075485 16135 1191054 1172801 152 406 233.253977724741 -0.00977771380591032 0.168545221842953 0.870162562357418 0.84502534002366 -0.00385369763141628 0.0038063701615353 -0.00518403322865999 1.27220962195318 FALSE set3IT077 Time0 6/26/2014 pseudo3_N2E3_ML2_set3 125 2002771 15730 1150363 1132441 149 410.5 225.2269291965 0.0280699656451279 0.167363926681659 0.85982234195174 0.845277405201357 -0.00724257100035292 -0.0200388010030547 -0.00769049296957413 0.944708050818466 FALSE set3IT078 Chloramphenicol 0.0025 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 126 1734081 13008 992654 975553 137 558 194.024065234686 0.101060083083857 0.199885203570129 0.883675882032768 0.841302253980942 0.103013387635843 0.00963894591056622 -0.0109020214440952 1.25952356645083 TRUE set3IT079 Chloramphenicol 0.004 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 127 1880042 14046 1079129 1059704 150 558 210.760540970565 0.146285921061064 0.184618476293431 0.876128341837831 0.841302253980942 0.0888948567382854 -0.00517714026629919 -0.0128592127462865 1.21532462575128 TRUE set3IT080 Tetracycline 0.0008 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 128 1991913 15015 1139984 1119389 156 558 222.631066030231 0.223135468723475 0.187448566331305 0.852066570863997 0.841302253980942 0.151458660036362 -0.000251834154821674 -0.0245628070401645 2.93271108515395 TRUE set3IT081 Tetracycline 0.0016 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 129 1792238 13246 1021321 1003360 134 558 199.554494828958 0.256305946002611 0.260632292349421 0.897867214963047 0.841302253980942 0.180254189268674 -0.0208279416290714 0.00568391984034075 5.76987769187321 TRUE set3IT082 Spectinomycin 0.1 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 130 1875031 13570 1075685 1056520 148 558 210.127287191726 0.124912243915758 0.185206138451564 0.879318517577537 0.841302253980942 0.10546393924452 0.0396193025602665 -0.0571127167275616 1.2885235782989 TRUE set3IT083 Spectinomycin 0.15 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 131 1940888 13122 1111363 1091593 152 558 217.102824184566 0.240244090714345 0.201665984782635 0.886789389552008 0.841302253980942 0.127696967347659 0.0460692520913848 -0.0389525049558146 1.99319434669959 TRUE set3IT084 Spectinomycin 0.2 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 132 2035413 13651 1162949 1141953 155.5 558 227.118735083532 0.224701460794808 0.229677001202002 0.888209174542444 0.841302253980942 0.18368072709035 0.0324472141510505 -0.0282275810970641 2.97994350902806 TRUE set3IT085 Rifampicin 0.005 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 133 1914665 13656 1092067 1071691 139.5 558 213.144590294352 0.286769033332358 0.238412049305501 0.925999418556223 0.841302253980942 0.1787859029727 0.0390965221231284 -0.0337400556685083 5.0565829830959 TRUE set3IT086 LB 6/26/2014 pseudo3_N2E3_ML2_set3 134 2302216 16808 1322026 1299075 183 558 258.368138424821 0.0750334312251246 0.195811403191156 0.879867421841971 0.841302253980942 0.0413975944584667 0.0413429197514761 -0.00893075421823765 1.39794024671969 FALSE set3IT087 Vancomycin 1 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 135 2563143 18636 1472454 1448374 196 558 288.061654733492 0.169156293667474 0.194598941337572 0.881355503501381 0.841302253980942 0.101320680878153 -0.018419984817066 -0.000360393602436086 1.36989870514238 TRUE set3IT088 Vancomycin 2 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 136 764349 5627 438544 432076 57 558 85.933969769292 0.114261449314499 0.500162242377324 1 0.841302253980942 0.0956508459350019 0.00447343968906529 -0.000530086734709963 2.25309325779283 FALSE set3IT089 Cephalothin 2.5 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 137 1750913 13481 1006278 987685 139 558 196.436953062848 0.0896249051168159 0.201414909220463 0.874469117916141 0.841302253980942 0.1050929091452 0.004956073140035 -0.0142128536323897 1.21717682853647 FALSE set3IT090 A22 0.002 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 138 1772684 14954 1014975 995560 141 558 198.003182179793 0.102725754839999 0.19488935142209 0.888107119929103 0.841302253980942 0.0466132660356492 -0.00605870841913519 -0.00319149077421291 1.73551790492422 TRUE set3IT091 A22 0.005 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 139 1907147 16296 1092075 1071194 151 558 213.045743834527 0.0795939081799202 0.202413991769964 0.880160229993996 0.841302253980942 0.0868734199537715 0.0172795509197051 -0.0152871869220398 1.93339295260687 FALSE set3IT092 A22 0.01 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 140 1933363 15907 1108845 1087689 153 558 216.326372315036 0.110000350952518 0.193903483305417 0.873169977764517 0.841302253980942 0.0448510238132426 0.00864283298781383 -0.00269755567999498 2.03200537883772 TRUE set3IT093 Lomefloxacin 0.001 mM 6/26/2014 pseudo3_N2E3_ML2_set3 141 1290135 10757 736520 722277 92 558 143.650954653938 0.241631802690019 0.331078830163293 0.938599455335857 0.841302253980942 0.177430457196661 0.0386126340821139 0.00940694655039988 6.36389974504425 TRUE set3IT094 D-Cycloserine 0.1 mg/ml 6/26/2014 pseudo3_N2E3_ML2_set3 142 2052691 15921 1175863 1154889 162 558 229.691527446301 0.134561174884122 0.184989497550159 0.885357434058877 0.841302253980942 0.0847981274578313 0.0195820783283789 -0.0528579144474029 1.29716158359746 TRUE set3IT095 LB 6/26/2014 pseudo3_N2E3_ML2_set3 143 2092038 15755 1198972 1177528 166 558 234.194112967383 0.0969423843823065 0.184227929720632 0.874469117916141 0.841302253980942 0.0669866559882876 0.0265845234430699 0.00528911182908352 1.08876479444545 FALSE set3IT096 methylglyoxal 0.008 vol% 6/26/2014 pseudo3_N2E3_ML2_set3 144 1931901 14170 1103789 1084277 148 558 215.647772474145 0.166217546302359 0.223716144594747 0.902702798645085 0.841302253980942 0.128321546762174 0.020441887885706 -0.0156020103688485 1.82987798522487 TRUE set4IT049 Time0 6/26/2014 pseudo3_N2E3_ML2_set4 145 2239492 17293 1285451 1266390 166 169 251.86754176611 0.0138912723193906 0.188586951426057 0.874469117916141 0.862496476250065 -0.0228046017785132 -0.0443729592175188 0.00429418640640218 2.86101186040172 FALSE set4IT050 Time0 6/26/2014 pseudo3_N2E3_ML2_set4 146 2260707 17519 1297047 1277979 169 166 254.172434367542 0.0138912723193906 0.188586951426057 0.862496476250065 0.874469117916141 -0.0228046017785132 -0.0443729592175188 -0.00429418640640219 1.66420242967052 FALSE set4IT051 methylglyoxal 0.009 vol% 6/26/2014 pseudo3_N2E3_ML2_set4 147 2163907 14000 1237873 1217465 166 335 242.137032617343 0.218825533584091 0.308771700784413 0.937715721745658 0.861969849107554 0.178029586858657 0.00677467614447445 -0.0257701951393833 3.4365323721969 TRUE set4IT052 5-Hydroxymethylfurfural 1.25 mM 6/26/2014 pseudo3_N2E3_ML2_set4 148 2027264 14907 1162519 1142828 159 335 227.292760540971 0.0685921075171285 0.207565761394197 0.863064354643892 0.861969849107554 0.0839773626854856 0.0041840427325551 0.00670212499394746 1.32254258292048 FALSE set4IT053 Vanillin 0.625 mM 6/26/2014 pseudo3_N2E3_ML2_set4 149 1984903 14261 1139274 1119754 158 335 222.703659506762 0.0912678980173151 0.200100907484503 0.87167590302446 0.861969849107554 0.116104202092433 0.0270178062884245 0.0214924228381228 1.04902367666772 FALSE set4IT054 Vanillin 1.25 mM 6/26/2014 pseudo3_N2E3_ML2_set4 150 2357837 17790 1353422 1330327 187 335 264.583731105807 0.108619386139993 0.196077167243438 0.867896463992655 0.861969849107554 0.0687347621416341 0.0264677050106911 -0.00588264851160004 1.08857310152918 TRUE set4IT055 Furfuryl Alcohol 0.0625 vol% 6/26/2014 pseudo3_N2E3_ML2_set4 151 2199060 16252 1259388 1237863 174 335 246.193914081146 0.126212413661865 0.191072559355681 0.878693703777866 0.861969849107554 0.0642152108332217 0.0084781924328039 0.00679456701654956 1.2932884793384 TRUE set4IT056 Furfuryl Alcohol 0.125 vol% 6/26/2014 pseudo3_N2E3_ML2_set4 152 2252512 16390 1292553 1270824 180 335 252.749403341289 0.102428083237139 0.192060165178515 0.868533837557645 0.861969849107554 0.0831447992908892 0.0099934874672097 -0.0117028687868869 1.08613344116535 TRUE set4IT057 Furfuryl Alcohol 0.25 vol% 6/26/2014 pseudo3_N2E3_ML2_set4 153 1959342 14372 1121312 1102014 156 335 219.175417661098 0.181388443570279 0.206082971830676 0.887697030375208 0.861969849107554 0.144370775614526 0.0369805434729376 -0.0136377020493392 1.67399195203074 TRUE set4IT058 syringaldehyde 2.5 mM 6/26/2014 pseudo3_N2E3_ML2_set4 154 2336699 16838 1343275 1320279 183 335 262.585322195704 0.0757635676428627 0.185268350313464 0.871485259477319 0.861969849107554 0.0333026236739996 -0.0386297112021762 5.81173519206968e-05 1.26556374726924 FALSE set4IT059 syringaldehyde 5 mM 6/26/2014 pseudo3_N2E3_ML2_set4 155 2242658 16736 1288086 1266973 175.5 335 251.983492442323 0.111575863244121 0.195194589685794 0.878693703777866 0.861969849107554 0.0420846532481254 0.00946089554432652 -0.00754504418903459 1.2170470193347 TRUE set4IT060 Dimethyl Sulfoxide 5 vol% 6/26/2014 pseudo3_N2E3_ML2_set4 156 2197543 15009 1262636 1239971 178 335 246.613166268894 0.0921822646283044 0.192335805952803 0.882163509706142 0.861969849107554 0.0792046058790865 -0.000214358773626696 0.00492735883671202 1.23975809006083 FALSE set4IT061 Dimethyl Sulfoxide 7 vol% 6/26/2014 pseudo3_N2E3_ML2_set4 157 2331735 16670 1338423 1315359 184.5 335 261.606801909308 0.0927551325731632 0.189792819103758 0.878009475621389 0.861969849107554 0.0726982562294832 0.031332976363718 0.0376825923247256 1.01845612920714 FALSE set4IT062 LB 6/26/2014 pseudo3_N2E3_ML2_set4 158 2599772 19315 1488971 1463514 205 335 291.072792362768 0.106356774802663 0.190410705948813 0.878693703777866 0.861969849107554 0.0582391077402952 -0.0439061260633573 -0.0101063844378222 1.1366460702071 TRUE set4IT063 Time0 7/1/2014 pseudo3_N2E3_ML2_set4 159 2324838 18173 1333665 1313846 171 148 261.305887032617 0.0123656997438528 0.195804089900082 0.859137464160151 0.859137464160151 0.000400080870152735 0.0160213140212372 -0.0038394643435321 1.43041562590811 FALSE set4IT064 Time0 7/1/2014 pseudo3_N2E3_ML2_set4 160 1993649 15138 1144143 1127101 148 171 224.164876690533 0.0123656997438528 0.195804089900082 0.859137464160151 0.859137464160151 0.000400080870152735 0.0160213140212372 0.0038394643435321 1.30007501682507 FALSE set4IT065 Choline chloride 179 mM 7/1/2014 pseudo3_N2E3_ML2_set4 161 2023675 14792 1162127 1141916 161 320 227.111376292761 0.0784129962417622 0.212809486880418 0.855264907018989 0.858385394581065 0.0679804111177524 -0.00165677614208555 -0.00773549806356713 1.96523748083289 FALSE set4IT066 Choline chloride 268.5 mM 7/1/2014 pseudo3_N2E3_ML2_set4 162 2237454 16736 1283467 1260743 179 320 250.744431185362 0.116898147949244 0.205529909367167 0.898120385980786 0.858385394581065 0.0807469299890395 0.0631755059219785 -0.0146620211722694 1.86660509691981 TRUE set4IT067 Choline chloride 358 mM 7/1/2014 pseudo3_N2E3_ML2_set4 163 2287324 17582 1310595 1287026 181 320 255.971758154336 0.117419045039539 0.197164747806169 0.851477475289911 0.858385394581065 0.0720963743707323 0.0169566819881252 -0.0150270139987748 1.35864916215531 TRUE set4IT068 Cholin acetate 10 mM 7/1/2014 pseudo3_N2E3_ML2_set4 164 1915554 13564 1098324 1080354 147 320 214.86754176611 0.199249414971194 0.210888449695848 0.883485991273575 0.858385394581065 0.077143362750808 0.00377112204757527 -0.0105813658399944 3.63396607686044 TRUE set4IT069 Cholin acetate 19 mM 7/1/2014 pseudo3_N2E3_ML2_set4 165 2021461 13923 1156915 1137965 155 320 226.325576770088 0.174403797528112 0.224582851101599 0.891475543221831 0.858385394581065 0.121275988653188 -0.0255479032847722 -0.000731360170354979 4.10461543023358 TRUE set4IT070 Cholin acetate 38 mM 7/1/2014 pseudo3_N2E3_ML2_set4 166 2048246 14899 1172680 1153641 158 320 229.443317422434 0.175906098739096 0.233335258445003 0.894817763307944 0.858385394581065 0.132800784112741 0.0686748219819482 -0.0150573596290546 3.05891169339655 TRUE set4IT071 acetate 17 mM 7/1/2014 pseudo3_N2E3_ML2_set4 167 2051847 14459 1175725 1156475 160 320 230.006961018298 0.126238630257396 0.209916759619026 0.882643049361842 0.858385394581065 0.0669985982657454 0.0247596505824709 -0.00261958268434195 4.35415148198772 TRUE set4IT072 acetate 34 mM 7/1/2014 pseudo3_N2E3_ML2_set4 168 2148491 15208 1227256 1207395 164 320 240.134248210024 0.166305243071586 0.218279941829184 0.881058927276493 0.858385394581065 0.142986038530204 0.0548317865774976 0.0159368737807011 4.66789137924383 TRUE set4IT073 acetate 68 mM 7/1/2014 pseudo3_N2E3_ML2_set4 169 1966337 14193 1128001 1110285 154 320 220.820405727924 0.191833576982316 0.244937994468784 0.887525270741587 0.858385394581065 0.14090689447873 0.00295589505130227 0.00170615445179619 2.33721889183912 TRUE set4IT074 1-ethyl-3-methylimidazolium lysine 10.5 mM 7/1/2014 pseudo3_N2E3_ML2_set4 170 1735955 13486 995379 977706 136 320 194.452267303103 0.179193138103016 0.231562943853316 0.866911766738058 0.858385394581065 0.131649439140644 0.0188989368454188 0.0277107368578424 2.52698699740377 TRUE set4IT075 1-ethyl-3-methylimidazolium acetate 15 mM 7/1/2014 pseudo3_N2E3_ML2_set4 171 1873061 13262 1071789 1054378 144 320 209.701272871917 0.211302076675757 0.211681960710705 0.878321443411748 0.858385394581065 0.132794641257138 -0.0232725071349526 -0.00124886683806443 4.42902791902401 TRUE set4IT076 1-ethyl-3-methylimidazolium acetate 20 mM 7/1/2014 pseudo3_N2E3_ML2_set4 172 2232912 15667 1277294 1256397 173 320 249.880071599045 0.220165931094215 0.194248161578976 0.85982234195174 0.858385394581065 0.151450794498329 0.00618524697640741 0.0135210447573987 4.73521536393423 TRUE set4IT077 1-ethyl-3-methylimidazolium acetate 30 mM 7/1/2014 pseudo3_N2E3_ML2_set4 173 2059167 14419 1177326 1158103 159 320 230.330747812251 0.234694130613151 0.24074304520421 0.900464326449085 0.858385394581065 0.162647752457943 0.00768320516973504 -0.00729829796194905 2.81268713071831 TRUE set4IT078 1-ethyl-3-methylimidazolium chloride 170 mM 7/1/2014 pseudo3_N2E3_ML2_set4 174 2180894 16853 1252016 1229690 176 320 244.568416865553 0.140426116954 0.20396970996148 0.894066555250935 0.858385394581065 0.102762088473364 0.054023114161084 0.00934260605678113 1.25944975505805 TRUE set4IT079 Choline Lysine 12 mM 7/1/2014 pseudo3_N2E3_ML2_set4 175 2258720 16938 1295919 1273215 181 320 253.224940334129 0.155269608162187 0.204726916757318 0.870523475571558 0.858385394581065 0.114058823893479 0.0560659608332094 0.00780473198031761 1.34604181602945 TRUE set4IT080 LB 7/1/2014 pseudo3_N2E3_ML2_set4 176 2153529 15441 1234718 1213819 173 320 241.411893396977 0.141091388715329 0.206750163647072 0.862496476250065 0.858385394581065 0.113313201447428 -0.0125615476112124 -0.00121651873683839 1.33600660210371 TRUE set4IT081 Nalidixic 0.004 mg/ml 7/1/2014 pseudo3_N2E3_ML2_set4 177 1778164 12798 1021001 1003357 141 320 199.553898170247 0.152506970925036 0.219177795539423 0.854149133536546 0.858385394581065 0.0974243436607634 -0.0470208602738909 0.0146100091505989 1.58889847406507 TRUE set4IT082 Gentamicin 0.006 mg/ml 7/1/2014 pseudo3_N2E3_ML2_set4 178 1982158 14322 1133713 1113969 153 320 221.553102625298 0.21576648126054 0.206296702985724 0.9007621270572 0.858385394581065 0.168302709491492 0.0512024267251266 -0.0377307597748992 4.96525952217256 TRUE set4IT083 Gentamicin 0.008 mg/ml 7/1/2014 pseudo3_N2E3_ML2_set4 179 2245276 12534 1136357 1102351 43 320 219.242442322991 0.137164696546754 0.337399348931513 1 0.858385394581065 0.141413406072774 0.0299738842004339 -0.0356397883443846 12.0605029156885 FALSE set4IT084 Gentamicin 0.01 mg/ml 7/1/2014 pseudo3_N2E3_ML2_set4 180 2162676 13551 657674 635472 11 320 126.386634844869 0.0665552581055379 0.379866300064942 1 0.858385394581065 0.0697448803552674 0.0171100610013211 -0.0279533870966587 14.6905564613368 FALSE set4IT085 Doxycycline hyclate 0.0002 mg/ml 7/1/2014 pseudo3_N2E3_ML2_set4 181 2069017 15228 1182775 1162573 159 320 231.219769291965 0.220848888028141 0.242682377268838 0.865070419913891 0.858385394581065 0.166202838772861 -0.00972454975727736 0.0156422955640635 4.08892999614388 TRUE set4IT086 Doxycycline hyclate 0.0006 mg/ml 7/1/2014 pseudo3_N2E3_ML2_set4 182 1969027 12920 1115699 1099015 108 320 218.578957836118 0.171062266261167 0.442555392189826 0.984569959430393 0.858385394581065 0.134414304304008 0.0265558514891331 0.0083176095003067 8.69663569301123 TRUE set4IT087 Ceftazidime 0.12 mg/ml 7/1/2014 pseudo3_N2E3_ML2_set4 183 2346304 19084 1344238 1318823 186 320 262.295743834527 0.144177644187396 0.200507899137214 0.864648147105115 0.858385394581065 0.0837813486067937 -0.00179368723592218 -0.0206650080760118 3.72461068611422 TRUE set4IT088 Benzalkonium Chloride 0.01 mg/ml 7/1/2014 pseudo3_N2E3_ML2_set4 184 1781919 13671 1019695 1001244 140 320 199.133651551313 0.180871857880043 0.235834293789858 0.884522782580064 0.858385394581065 0.157907199502086 -0.013644549610623 0.00735305638562196 3.47468554494996 TRUE set4IT089 Benzalkonium Chloride 0.012 mg/ml 7/1/2014 pseudo3_N2E3_ML2_set4 185 1753497 13683 1000823 982524 136 320 195.410501193317 0.216340563399794 0.252045400860248 0.888107119929103 0.858385394581065 0.146912242413446 0.0589439423135384 0.0186869446294444 4.90063841361641 TRUE set4IT090 LB 7/1/2014 pseudo3_N2E3_ML2_set4 186 1951705 13700 1120512 1101541 155 320 219.081344470963 0.103721440733892 0.200058696884829 0.85982234195174 0.858385394581065 0.0676206168830767 0.0150081551796504 0.000673575952831927 1.37787699065162 TRUE set5IT001 L-Alanine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 187 692526 5172 396626 389374 55 866 77.4411296738266 0.151856749787758 0.322756113442022 0.900989994168834 0.861439169467022 0.171071193117622 0.00778992546024279 -0.00937146917904802 1.72548756327171 TRUE set5IT002 L-Valine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 188 868793 6167 498044 488274 68 866 97.1109785202864 0.213805062273007 0.304428226973746 0.874469117916141 0.861439169467022 0.134946240739965 0.0507275800584355 -0.0618094383349969 2.54014574673572 TRUE set5IT003 L-Isoleucine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 189 944201 6980 541345 531627 74 866 105.733293556086 0.224447593491077 0.261528224351865 0.870716983055034 0.861439169467022 0.12761976578033 0.0541671612496177 -0.0508126692292023 2.07998171829164 TRUE set5IT004 L-Leucine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 190 818719 5814 469382 460987 64 866 91.683969769292 0.196358642231719 0.321243273857045 0.887525270741587 0.861439169467022 0.133794870451924 0.0547179159477014 -0.00961182792543346 1.9660265386898 TRUE set5IT005 L-Phenylalanine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 191 940090 7111 538938 529208 74 866 105.252187748608 0.168458811929092 0.286273918840718 0.900464326449085 0.861439169467022 0.123915161780106 0.0238181497128565 -0.028946736292384 1.60955501152575 TRUE set5IT006 L-Tryptophan (C) 12/17/2015 pseudo3_N2E3_ML2_set5 192 1093145 7957 625491 614257 85 866 122.167263325378 0.221191066412285 0.253242332309773 0.878009475621389 0.861439169467022 0.133700924933838 0.0452164845552963 -0.0459992048231706 2.01313879249909 TRUE set5IT007 D-Serine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 193 987998 7381 565824 555482 78 866 110.477724741448 0.149591749498108 0.259622271061141 0.883675882032768 0.861439169467022 0.133572121546083 0.0303818428583434 -0.0373043921352347 1.31726720473707 TRUE set5IT008 D-Alanine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 194 1038793 7734 594745 583689 82 866 116.087708830549 0.134785467721211 0.257229777843019 0.876425314881468 0.861439169467022 0.125479764341814 -0.0280036528307417 -0.0331079966380275 1.23215294094537 TRUE set5IT009 L-Citrulline (C) 12/17/2015 pseudo3_N2E3_ML2_set5 195 2632741 18886 1508355 1481400 201 866 294.630071599045 0.305086007349342 0.201135070997466 0.895302621333307 0.861439169467022 0.202941399266733 0.0177283191067718 -0.0740519161314339 2.85704399417274 TRUE set5IT010 Carnitine Hydrochloride (C) 12/17/2015 pseudo3_N2E3_ML2_set5 196 2247160 13602 1298077 1275217 171 866 253.623110580748 0.264797614089739 0.197061889155934 0.89006597296716 0.861439169467022 0.241568646910524 0.0670177632881923 -0.0570734962424727 4.07528005351276 TRUE set5IT011 casaminos (C) 12/17/2015 pseudo3_N2E3_ML2_set5 197 2071579 13784 1184325 1163010 164 866 231.306682577566 0.135732454705034 0.208095802429884 0.880947328356236 0.861439169467022 0.122250961929343 0.0262268704963424 0.0052892417244125 1.29032691517151 TRUE set5IT012 Putrescine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 198 2782825 20485 1600827 1574067 208 866 313.060262529833 0.238043764952434 0.188937282395303 0.907651711448324 0.861439169467022 0.195701209175779 0.105014203645531 -0.0490024773238236 3.86488729737737 TRUE set5IT014 D-Glucosamine Hydrochloride (C) 12/17/2015 pseudo3_N2E3_ML2_set5 200 2544224 18694 1462369 1435967 194 866 285.594073190135 0.221165254441345 0.160679277445677 0.856635824828822 0.861439169467022 0.154826761339589 0.0175961298008391 -0.0128860931685126 6.61249238047713 TRUE set5IT015 Uridine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 201 2439497 17781 1397240 1371875 191 866 272.847056483691 0.214703463526222 0.197784073058946 0.865070419913891 0.861439169467022 0.129647593605634 0.0495485567055438 -0.0139037133417953 2.45389508202328 TRUE set5IT016 Cytidine (C) 12/17/2015 pseudo3_N2E3_ML2_set5 202 2842546 20812 1625253 1595249 219 866 317.2730708035 0.267318584640879 0.170476564587805 0.84799690655495 0.861439169467022 0.160393513419524 0.0308188684757351 -0.0275833940768887 4.50631352948654 TRUE set5IT017 D-Mannose (C) 12/17/2015 pseudo3_N2E3_ML2_set5 203 2525592 18305 1444510 1418047 199 866 282.030031821798 0.234067107097435 0.174869293820894 0.862496476250064 0.861439169467022 0.19021116284877 0.0106735129629817 -0.0428433248425938 1.051564286049 TRUE set5IT018 butyrate (C) 12/17/2015 pseudo3_N2E3_ML2_set5 204 2571172 17264 1479511 1452586 192 866 288.899363564041 0.24901068774497 0.198519655655651 0.893084796083488 0.861439169467022 0.148315923682399 0.0293396439055252 -0.0432683987869191 5.37238065324324 TRUE set5IT019 L-Phenylalanine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 205 2640634 20445 1510643 1482935 207 866 294.935361972951 0.194887619271114 0.195554699666635 0.867414360382191 0.861439169467022 0.132317328835527 0.0525174375356451 -0.0339908836642489 4.19434861623897 TRUE set5IT020 L-tyrosine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 206 2631417 20038 1506852 1480206 203 866 294.392601431981 0.233921659946799 0.186606062333894 0.880418384247327 0.861439169467022 0.158970752899254 0.0626300487171778 -0.0398862888119184 1.8046451731868 TRUE set5IT021 L-Tryptophan (N) 12/17/2015 pseudo3_N2E3_ML2_set5 207 2807778 20910 1607004 1577339 222 866 313.711018297534 0.221626142690945 0.183578991788807 0.875760698164347 0.861439169467022 0.145965208958092 0.0748779593129029 -0.0426676390162053 1.71285703123227 TRUE set5IT022 D-Serine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 208 2889280 19155 1656901 1626457 232 866 323.479912490056 0.160063850722331 0.179949413483278 0.87092005083507 0.861439169467022 0.11728581091905 0.00964837953302441 -0.0484788463631157 1.13840749748016 TRUE set5IT023 D-Alanine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 209 2204657 15809 1260506 1237705 175 866 246.162490055688 0.185328520412528 0.185682646884101 0.889219569281464 0.861439169467022 0.203413330494619 0.0321916653462134 -0.0322108120340924 1.00490466740415 TRUE set5IT024 Gly-DL-Asp (N) 12/17/2015 pseudo3_N2E3_ML2_set5 210 2221571 10912 1360714 1329239 102 866 264.367342879873 0.173368975266485 0.23297272878759 0.888209174542444 0.861439169467022 0.0945605977660137 0.0268175112543033 -0.0294537819290863 8.18871793461969 TRUE set5IT025 Gly-Glu (N) 12/17/2015 pseudo3_N2E3_ML2_set5 211 2684686 12022 1011947 993251 123 866 197.543953858393 0.26475121403729 0.218012472509551 0.884522782580063 0.861439169467022 0.188012541353171 0.0693826377508212 -0.0127224329766715 5.98307882205467 TRUE set5IT026 L-Citrulline (N) 12/17/2015 pseudo3_N2E3_ML2_set5 212 2653477 19372 1521683 1493263 211 866 296.989459029435 0.226069347127385 0.176106433670525 0.876851769227135 0.861439169467022 0.205055370451458 0.0750948522549415 -0.0465264357178193 1.16745309795799 TRUE set5IT027 Carnitine Hydrochloride (N) 12/17/2015 pseudo3_N2E3_ML2_set5 213 2623896 19649 1502878 1475192 208 866 293.3953858393 0.200877700633488 0.183191254583084 0.864772619305777 0.861439169467022 0.192259269676458 0.0277761725210901 -0.0694479991602658 1.06249074648972 TRUE set5IT028 Putrescine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 214 2536026 18589 1454907 1427923 201 866 283.994232299125 0.194593230513886 0.188235507624603 0.87446911791614 0.861439169467022 0.172211278719499 0.0804039208167621 -0.0457966592103654 1.46406461242635 TRUE set5IT029 NAG (N) 12/17/2015 pseudo3_N2E3_ML2_set5 215 2372808 16954 1359367 1334483 189 866 265.41030230708 0.176456771967085 0.191053588896535 0.88506423315534 0.861439169467022 0.0491164128390604 0.0662408961361708 -0.0380391533747218 1.46663588347907 TRUE set5IT030 D-Glucosamine Hydrochloride (N) 12/17/2015 pseudo3_N2E3_ML2_set5 216 2395287 18180 1373390 1347778 190 866 268.054494828958 0.183612188823971 0.188500637029002 0.881680032811239 0.861439169467022 0.155858548299938 -0.00897545627275895 -0.032027113557695 1.58944180907798 TRUE set5IT031 Parabanic Acid (N) 12/17/2015 pseudo3_N2E3_ML2_set5 217 1856719 11056 1065463 1045220 147 866 207.879872712808 0.148068149387296 0.304664341153764 0.917537839808027 0.861439169467022 0.123646115971747 -0.0117868789562908 -0.0304242235458817 1.68045270780983 TRUE set5IT032 Adenosine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 218 2456237 17828 1430091 1404578 174 866 279.35123309467 0.218240877661646 0.1898782948043 0.919381539791716 0.861439169467022 0.185933978946001 0.0306950679543812 -0.0617782840785257 6.23041439422581 TRUE set5IT033 Adenine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 219 2282171 16542 1307071 1282466 182 866 255.064836913286 0.187814838811093 0.176174183277383 0.860393932704418 0.861439169467022 0.112086175914057 0.0426201648559315 -0.0476817653774648 1.27130172983118 TRUE set5IT034 Uridine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 220 2387553 18076 1365062 1339911 190 866 266.489856801909 0.207542842658451 0.189422405499137 0.890375508825501 0.861439169467022 0.123749802074787 0.0418676259424822 -0.0515698141817959 1.64481623831704 TRUE set5IT035 Inosine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 221 2420719 18796 1385419 1361402 186 866 270.764120922832 0.226722899844795 0.19370394392244 0.858600133270638 0.861439169467022 0.182543133047913 0.04785645568996 -0.0363932261086071 1.28279936952217 TRUE set5IT036 Thymine (N) 12/17/2015 pseudo3_N2E3_ML2_set5 222 2341188 16557 1339862 1315168 186 866 261.568814638027 0.165403455411928 0.201524698781029 0.855610090664825 0.861439169467022 0.128525952280103 0.0688900984623003 -0.0385449171090893 1.12527784437439 TRUE set5IT037 Ammonium chloride (N) 12/17/2015 pseudo3_N2E3_ML2_set5 223 2393306 16433 1372559 1346773 189 866 267.8546141607 0.181194074356867 0.1787284281152 0.871874808565925 0.861439169467022 0.124358463604598 -0.0216103869175662 -0.0447087096888524 1.144034299789 TRUE set5IT038 nitrate (N) 12/17/2015 pseudo3_N2E3_ML2_set5 224 2594268 19454 1485785 1457849 204.5 866 289.946101829753 0.211042986444461 0.166337680783429 0.885440235737144 0.861439169467022 0.191408733018607 0.0395679692982206 -0.0542799843937277 1.38097894202718 TRUE set5IT039 nitrite (N) 12/17/2015 pseudo3_N2E3_ML2_set5 225 2352209 17900 1345707 1320781 184 866 262.685163086714 0.173585458720719 0.189106072828133 0.871992387623928 0.861439169467022 0.164922058041525 -0.0233117494680831 -0.0518489472446052 1.68035816616593 TRUE set5IT040 Urea (N) 12/17/2015 pseudo3_N2E3_ML2_set5 226 2700123 20561 1546113 1518260 210.5 866 301.961018297534 0.235226241126939 0.187701355708249 0.873511470990246 0.861439169467022 0.178567679069949 0.0690759853574989 -0.0633418050009303 1.42430837613801 TRUE set5IT041 outer cut, LB soft agar motility assay 12/17/2015 pseudo3_N2E3_ML2_set5 227 2373484 14729 1343189 1319225 158 866 262.37569610183 0.26022215384145 0.369378309850735 1 0.861439169467022 0.213317931961382 0.055382634648154 -0.0243329166668549 4.61168217085644 TRUE set5IT042 outer cut, LB soft agar motility assay 12/17/2015 pseudo3_N2E3_ML2_set5 228 2209681 13491 1254920 1233609 146 866 245.34785202864 0.240402398001547 0.43001792061658 1.02046410255972 0.861439169467022 0.185959880839461 -0.0189794095949573 -0.0245302653299351 5.18947280545543 TRUE set5IT043 outer cut, LB soft agar motility assay 12/17/2015 pseudo3_N2E3_ML2_set5 229 2137824 13845 1240539 1221211 133 866 242.882060461416 0.193752143596561 0.460167703110274 1.04580368961313 0.861439169467022 0.198773716518886 0.0536553466493296 -0.0288514835184409 4.96181682613802 TRUE set5IT044 Time0 12/17/2015 pseudo3_N2E3_ML2_set5 230 2465038 19030 1413417 1393129 182 686 277.074184566428 -0.0240186292239681 0.190520115330663 0.895302621333307 0.85555486683122 0.0246556184831345 0.000215282110959136 0.00918447959854466 1.30921967467928 FALSE set5IT045 Time0 12/17/2015 pseudo3_N2E3_ML2_set5 231 2394869 18149 1375238 1355373 177 691 269.565035799523 0.00116567984222232 0.171184828638622 0.857980995127572 0.86561432003 -0.0186429624924407 -0.0299728758089766 0.0213938745592803 1.08526882125426 FALSE set5IT046 Time0 12/17/2015 pseudo3_N2E3_ML2_set5 232 2464587 18567 1412785 1392033 181 685.5 276.856205250597 -0.0138812968162996 0.162390203723052 0.857980995127572 0.860904390334339 -0.00945226322851639 -0.042671973149721 0.0267668242716025 1.08324575289268 FALSE set5IT047 Time0 12/17/2015 pseudo3_N2E3_ML2_set5 233 2080763 15954 1194395 1177064 153 713 234.101829753381 0.0194026468809388 0.183238222015183 0.880260755725904 0.861553230030855 0.0176464305883513 -0.0419822702402768 -0.00952028761848269 1.01962249055189 FALSE set5IT048 Time0 12/17/2015 pseudo3_N2E3_ML2_set5 234 2361935 18128 1356648 1337199 173 691.5 265.950477326969 0.0259760391577083 0.177559245713523 0.879594150094007 0.863074363316029 -0.0165765981624476 -0.0159741179655908 -0.0161033863577846 1.22188925510219 FALSE set6IT049 LB 10C 10/28/2015 pseudo3_N2E3_ML2_set6 235 2859559 21684 1639615 1611433 221 670.5 320.49184566428 0.148553108952603 0.155354562795333 0.870364719583405 0.855610090664825 0.129428558003082 0.00140526051680963 -0.0208758375394047 1.13581075184012 TRUE set6IT050 LB 10C 10/28/2015 pseudo3_N2E3_ML2_set6 236 2745448 19980 1575457 1548522 214 670.5 307.979713603819 0.140508243562355 0.161482567794296 0.84692066999561 0.855610090664825 0.16301831817409 0.0388433839759153 -0.0186049567395922 1.15359845465811 TRUE set6IT051 LB 20C 10/28/2015 pseudo3_N2E3_ML2_set6 237 2326111 17911 1333094 1308402 185 670.5 260.223150357995 0.117880472574847 0.163866613721526 0.86754970397635 0.855610090664825 0.103223923302138 -0.0211781997966076 -0.00238968151951019 1.11900048334425 TRUE set6IT052 LB 20C 10/28/2015 pseudo3_N2E3_ML2_set6 238 2019353 15426 1158289 1137142 161 670.5 226.161893396977 0.116641982108514 0.183660024913333 0.867026134730579 0.855610090664825 0.13680002394878 0.0467117786634926 0.00018293887613076 1.20078399019435 TRUE set6IT053 LB 30C 10/28/2015 pseudo3_N2E3_ML2_set6 239 1988479 15051 1141612 1120262 159 670.5 222.804693715195 0.145624573068154 0.179558948194892 0.867362231421881 0.855610090664825 0.114636966863888 0.00434384388141642 -0.0068031210776991 1.05794661165303 TRUE set6IT054 LB 30C 10/28/2015 pseudo3_N2E3_ML2_set6 240 2443351 18268 1401673 1375493 195 670.5 273.566626889419 0.133710132662873 0.181881411574434 0.856227286413656 0.855610090664825 0.091645214159117 0.0171436186488309 -0.00351662949954249 1.4459317335903 TRUE set6IT057 Minimal media pH6 10/28/2015 pseudo3_N2E3_ML2_set6 243 2504849 15964 1435531 1409328 199.5 670.5 280.295942720764 0.247840732732941 0.190271153456983 0.878009475621389 0.855610090664825 0.231889399953624 -0.0218448693862683 -0.0431015874482067 1.26684779562632 TRUE set6IT058 Minimal media pH6 10/28/2015 pseudo3_N2E3_ML2_set6 244 2441757 16114 1397064 1371844 192 670.5 272.840891010342 0.256288651667872 0.193945792477607 0.87992354800825 0.855610090664825 0.16168082758424 0.0317628144821413 -0.04650077242589 1.33692059387119 TRUE set6IT060 Minimal media pH7 10/28/2015 pseudo3_N2E3_ML2_set6 246 2089780 13492 1195730 1173829 165 670.5 233.458432776452 0.19978443705068 0.220954154546104 0.884229998197346 0.855610090664825 0.120638313067831 0.0977004977877859 -0.0189749865822216 1.76745432708657 TRUE set6IT061 Minimal media pH8 10/28/2015 pseudo3_N2E3_ML2_set6 247 3037984 18435 1741625 1709293 242 670.5 339.954852824185 0.221406101938901 0.179662046409272 0.871013559279922 0.855610090664825 0.180703721487888 0.0482767660814993 -0.054831861968891 1.29609996648538 TRUE set6IT062 Minimal media pH8 10/28/2015 pseudo3_N2E3_ML2_set6 248 3208007 22877 1830707 1797002 250 670.5 357.398965791567 0.260381380030457 0.177570430738596 0.879705766282288 0.855610090664825 0.226363461226052 0.0545444186164094 -0.0537372152321306 1.28645298389195 TRUE set6IT063 Minimal media pH9 10/28/2015 pseudo3_N2E3_ML2_set6 249 2805526 18910 1603961 1574281 217.5 670.5 313.102824184566 0.284467851203981 0.313573650123058 0.925999418556223 0.855610090664825 0.210898379347198 0.0319934967772013 -0.0465359633054658 3.77690002689855 TRUE set6IT064 Minimal media pH9 10/28/2015 pseudo3_N2E3_ML2_set6 250 2314300 16134 1322538 1298569 180 670.5 258.267501988862 0.273787726770441 0.299203774603797 0.933504588213093 0.855610090664825 0.184611680905717 0.076697972657068 -0.0238745520008977 3.72324683037346 TRUE set6IT065 Nitrate reduction 10/28/2015 pseudo3_N2E3_ML2_set6 251 2532074 21185 1501055 1479614 141 670.5 294.274860779634 0.134966753324728 0.669805776030879 1.41278152533848 0.855610090664825 0.0715719429557419 -0.00386260124802885 0.042493762131885 4.64200684708204 FALSE set6IT066 Nitrate reduction 10/28/2015 pseudo3_N2E3_ML2_set6 252 2486330 9604 1471173 1453904 106 670.5 289.161495624503 0.0812095972566889 0.742936935192984 1.70744650724615 0.855610090664825 0.0594100622349959 0.020549833175995 0.020624283283916 5.78978164918333 FALSE set6IT067 Nitrate reduction with yeast extract 10/28/2015 pseudo3_N2E3_ML2_set6 253 1400781 9723 801533 788696 97 670.5 156.860779634049 0.0470677580492688 1.04597431995631 1.74272486345489 0.855610090664825 0.0876017192835571 0.0264235982122741 -0.000779190845831052 4.66121516433188 FALSE set6IT068 Nitrate reduction with yeast extract 10/28/2015 pseudo3_N2E3_ML2_set6 254 1666835 11532 958318 943465 120 670.5 187.642203659507 0.0531724937331602 0.924489631113284 1.58496250072116 0.855610090664825 -0.0111424758630507 -0.0102417390532154 0.0287759470813519 4.02343775458296 FALSE set6IT069 4C survival; 24 hrs 10/28/2015 pseudo3_N2E3_ML2_set6 255 2138818 16596 1228735 1206853 168 670.5 240.026451869531 0.0988816811134745 0.220770875758707 0.885828980080689 0.855610090664825 0.0655610524166335 0.0341846931017838 -0.028443380581255 1.8161700002928 FALSE set6IT070 4C survival; 192 hrs 10/28/2015 pseudo3_N2E3_ML2_set6 256 2397695 17631 1379944 1357528 187 670.5 269.993635640414 0.254560833486131 0.193602402671845 0.900136105530621 0.855610090664825 0.179365702909072 0.0479448636544721 0.00919856968382006 3.05565126378037 TRUE set6IT071 4C survival; 360 hrs 10/28/2015 pseudo3_N2E3_ML2_set6 257 2147130 16889 1245155 1225880 154 670.5 243.810660302307 0.220247407481754 0.240856726873113 0.952171474909385 0.855610090664825 0.213126512080019 0.0483423969025632 0.012261634301908 4.79363767933855 TRUE set6IT072 4C survival; 672 hrs 10/28/2015 pseudo3_N2E3_ML2_set6 258 2371116 21110 1421749 1404628 101 670.5 279.361177406523 0.311055571166983 0.29465008763776 1.02647221136119 0.855610090664825 0.298506942708609 0.0989455362112757 0.0107920787879756 7.59050374683095 TRUE set6IT073 4C survival; 1152 hrs 10/28/2015 pseudo3_N2E3_ML2_set6 259 2423278 16880 1579440 1555601 23 670.5 309.387629276054 0.126602268172841 0.400813308196084 1.15754127698648 0.855610090664825 0.153214348406353 0.0185108911742083 0.00243505240075563 11.9838470638782 FALSE set6IT074 Time0 10/28/2015 pseudo3_N2E3_ML2_set6 260 1931890 15033 1108088 1090858 144.5 526.5 216.956642800318 -0.0213659181000584 0.187174016268944 0.869105933149048 0.851322732261727 0.0166683932503034 0.012358623611111 0.0169530303393371 1.0398108064537 FALSE set6IT075 Time0 10/28/2015 pseudo3_N2E3_ML2_set6 261 2206807 17631 1267487 1248081 164.5 506 248.226133651551 0.00455654036150815 0.178053089642636 0.864536582704881 0.862850034649307 -0.00888314604287605 0.071604410051819 0.00423864632228938 1.22371216230036 FALSE set6IT076 Time0 10/28/2015 pseudo3_N2E3_ML2_set6 262 2614811 20323 1500291 1477324 195 474.5 293.819411296738 -0.0256492858837663 0.170236853763145 0.86754970397635 0.853897507994635 0.006339071085451 0.00522312707568208 0.00412946991651939 1.48386983861142 FALSE set6IT077 Time0 10/28/2015 pseudo3_N2E3_ML2_set6 263 2243031 17858 1286035 1266467 166 505 251.882856006364 -0.00774025200686423 0.191565271201237 0.883485991273575 0.855491443101874 -0.0083956451609994 -0.0119413625897962 -0.00342317435077135 1.2348076307324 FALSE set6IT078 Time0 11/19/2014 pseudo3_N2E3_ML2_set6 264 2513161 19108 1442588 1420216 187.5 427 282.461416070008 0.00408084964905582 0.164954333346542 0.871992387623929 0.858770431558153 0.0162228063529957 0.000918577981158501 0.0097179331701698 1.50838188361384 FALSE set6IT079 Time0 11/19/2014 pseudo3_N2E3_ML2_set6 265 3002757 22598 1723578 1696924 225 390 337.494828957836 -0.0227076317622789 0.154534766529831 0.860837252328373 0.862120725488497 -0.0238083451082417 -0.0380949891024196 -0.0227176576071943 1.21137694592867 FALSE set6IT080 Time0 11/19/2014 pseudo3_N2E3_ML2_set6 266 2697856 20463 1547453 1523593 201 412 303.021678599841 -0.00172428589242313 0.156330566796103 0.877744249949003 0.86102358685119 0.00890351546797867 0.00801712853835279 0.0285201220277052 1.36609724405309 FALSE set6IT081 L-Arginine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 267 1964517 14533 1124242 1103606 154 615.5 219.492044550517 0.189177581089044 0.195273294276248 0.868755466721748 0.855923822326579 0.211057790227192 0.0418340159702148 -0.066768957385479 1.27904823864122 TRUE set6IT082 L-Histidine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 268 2141605 16166 1227126 1204464 172 615.5 239.551312649165 0.17581033993711 0.19207793919338 0.869939459435627 0.855923822326579 0.112508632596033 0.0156877581582884 -0.0751656027879628 1.52366131752282 TRUE set6IT083 L-Lysine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 269 2422580 15488 1392375 1364845 188 615.5 271.448886237072 0.17877531031019 0.170911213407512 0.871992387623929 0.855923822326579 0.136450683303464 0.0575335829578543 -0.0161615460403279 6.85882290872815 TRUE set6IT084 L-Glutamic (N) 11/19/2014 pseudo3_N2E3_ML2_set6 270 2253064 16481 1292268 1268885 176 615.5 252.363762927605 0.164622083645817 0.184326555754135 0.881355503501381 0.855923822326579 0.127911378187888 0.0349184598959625 -0.0372270955699179 1.63445762404175 TRUE set6IT085 L-Serine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 271 2324447 17531 1329764 1304571 185 615.5 259.461217183771 0.16504918285647 0.190735567895594 0.893084796083488 0.855923822326579 0.143132015255566 0.0110889339288105 -0.0528811566559123 1.42923903699449 TRUE set6IT086 L-Threonine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 272 2306711 16577 1318305 1293365 182 615.5 257.232498011138 0.176534474957784 0.178912604344364 0.868134552126027 0.855923822326579 0.137061618246756 -0.0182022212121789 -0.054181179263935 2.35207171825975 TRUE set6IT087 L-Glutamine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 273 2780177 20750 1593198 1563521 221 615.5 310.962808273667 0.189837990942847 0.170414276769994 0.866321564768031 0.855923822326579 0.176313257179994 0.0413373922322463 -0.0744628124842239 1.22388694778699 TRUE set6IT088 Glycine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 274 1944102 14764 1114790 1093990 154 615.5 217.579554494829 0.165525341035368 0.195848690774896 0.881355503501381 0.855923822326579 0.1140291758609 0.0320121403712359 -0.0503888167113534 1.32461987781286 TRUE set6IT089 L-Arginine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 275 1745629 13172 1001082 982652 137 615.5 195.435958631663 0.189846890439498 0.207827229610247 0.885136042967997 0.855923822326579 0.190669461345311 0.0382918861755278 -0.0555987413011197 1.37649707703881 TRUE set6IT090 L-Histidine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 276 1938865 15005 1109448 1088771 152 615.5 216.541567223548 0.153875233667495 0.207714584693942 0.865070419913891 0.855923822326579 0.188387209936716 0.0214825402610485 -0.0682705270138979 1.04661334421524 TRUE set6IT091 L-Lysine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 277 2142179 14092 1230959 1206626 166.5 615.5 239.981304693715 0.162920237745867 0.194269540979683 0.88318633501725 0.855923822326579 0.0872777171777857 0.00533690518118264 -0.0196615218527954 6.702810194456 TRUE set6IT092 L-Glutamic (N) 11/19/2014 pseudo3_N2E3_ML2_set6 278 2364908 17534 1357347 1332307 185 615.5 264.977525855211 0.154541290952 0.181499640900634 0.896622260154691 0.855923822326579 0.143615183291308 0.0137603726508631 -0.0513244790812409 1.74268137594305 TRUE set6IT093 L-Serine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 279 2372819 17955 1360748 1335476 189 615.5 265.607796340493 0.140812777752178 0.187020790076429 0.889817082249578 0.855923822326579 0.137999595713787 0.0586164811224493 -0.0484763274468952 1.38113272699301 TRUE set6IT094 L-Threonine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 280 2489711 17711 1423145 1396645 199 615.5 277.773468575975 0.16207395868066 0.179439129773323 0.885828980080689 0.855923822326579 0.163158999741567 0.0736076745245147 -0.044827883881333 2.37906462788467 TRUE set6IT095 L-Glutamine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 281 2043127 15935 1169194 1148256 161 615.5 228.3723150358 0.18557362576632 0.207113042991767 0.883902935077129 0.855923822326579 0.121646937887984 0.0391475364643203 -0.0719147285135608 1.56295664699851 TRUE set6IT096 Glycine (N) 11/19/2014 pseudo3_N2E3_ML2_set6 282 2056464 15194 1177333 1156084 162 615.5 229.929196499602 0.166345706813177 0.202554816768654 0.87446911791614 0.855923822326579 0.143779970660603 0.066674842115648 -0.0354485173227285 1.44416562233374 TRUE