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) 7/20/2015 Koxy_ML2_set1 1 744431 844 472290 471135 61 422.5 102.242838541667 0.373887290299589 0.439598043018464 1.14491017442837 1.06204508274438 0.307254927659067 0.172289707137108 0.298632388937947 1.87693843966902 FALSE set1IT002 D-Ribose (C) 7/20/2015 Koxy_ML2_set1 2 1056485 224 671040 669281 87 422.5 145.243272569444 0.434230658932594 0.368853725166718 1.12088378021099 1.06204508274438 0.347219856593691 0.237823406099372 0.307968989449843 1.89790598202642 FALSE set1IT003 D-Glucose-6-Phosphate (C) 7/20/2015 Koxy_ML2_set1 3 919587 1849 582914 581348 74 422.5 126.160590277778 0.308152848981331 0.525819436487957 1.18762700317577 1.06204508274438 0.272590288361355 0.136077757850832 0.319015415096164 2.09415402629235 FALSE set1IT004 D-Cellobiose (C) 7/20/2015 Koxy_ML2_set1 4 1003500 1045 635212 633557 84 422.5 137.490668402778 0.398182890952692 0.393606369679465 1.09310940439148 1.06204508274438 0.340039377403443 0.230266601139588 0.313430133219046 1.90268120891047 FALSE set1IT005 D-Sorbitol (C) 7/20/2015 Koxy_ML2_set1 5 1134293 1204 719548 717582 95 422.5 155.725260416667 0.386759123290093 0.37822838230675 1.08124809247491 1.06204508274438 0.338562285824522 0.257203127854489 0.299383611104958 1.91299161424028 FALSE set1IT006 D-Trehalose (C) 7/20/2015 Koxy_ML2_set1 6 1303274 1847 826882 824641 109 422.5 178.958550347222 0.402685881756609 0.386278350464645 1.13088917464304 1.06204508274438 0.300343066923381 0.199984694139136 0.300631430661307 2.8393158344398 FALSE set1IT007 D-Serine (C) 7/20/2015 Koxy_ML2_set1 7 1085911 1009 689184 687454 90 422.5 149.187065972222 0.409338165412449 0.392808002763148 1.11547721741994 1.06204508274438 0.347073143953945 0.182359585011368 0.299742616534931 1.99176964466537 FALSE set1IT008 D-Glucosamine Hydrochloride (C) 7/20/2015 Koxy_ML2_set1 8 1259509 292 798129 796139 103 422.5 172.773220486111 0.423767299804403 0.354505378499707 1.08844896241614 1.06204508274438 0.306307293832586 0.218382498607754 0.281290984995456 1.88894585206266 FALSE set1IT009 Inosine (C) 7/20/2015 Koxy_ML2_set1 9 2559192 611 1630308 1626382 204 422.5 352.947482638889 0.439651525835148 0.361079827451333 1.11418563691293 1.06204508274438 0.325036095884971 0.223077766991303 0.302711211401054 6.70288473904458 FALSE set1IT010 Cytidine (C) 7/20/2015 Koxy_ML2_set1 10 2290806 660 1454515 1450926 186 422.5 314.87109375 0.468761319572863 0.337528512382057 1.11679715835629 1.06204508274438 0.325406352689754 0.246764876544607 0.298784569706246 1.89021930561431 FALSE set1IT011 L-Arginine (N) 7/20/2015 Koxy_ML2_set1 11 2513608 453 1597579 1593937 204 422.5 345.906467013889 0.445867530176748 0.366137598582097 1.12725060152634 1.06204508274438 0.354419019075949 0.236546603512681 0.303712539210011 1.96492701547758 FALSE set1IT012 L-Histidine (N) 7/20/2015 Koxy_ML2_set1 12 2823364 1004 1787774 1783180 222 422.5 386.974826388889 0.443427435169222 0.356863939161264 1.11493829507851 1.06204508274438 0.328988842452901 0.247387462444714 0.286085763006759 2.77023680339655 FALSE set1IT013 L-Asparagine (N) 7/20/2015 Koxy_ML2_set1 13 973728 10676 608907 607210 76 422.5 131.773003472222 0.167464534116842 0.985859098993282 1.42578529471738 1.06204508274438 0.127093267037027 0.10101060386321 0.160557117932597 4.01138596541675 FALSE set1IT014 L-Glutamine (N) 7/20/2015 Koxy_ML2_set1 14 2603247 3962 1651021 1647063 205 422.5 357.435546875 0.409785640064462 0.343874151690955 1.09953567355091 1.06204508274438 0.367363522955676 0.255789054020043 0.277796724105923 1.83680047378545 FALSE set1IT015 D-Serine (N) 7/20/2015 Koxy_ML2_set1 15 2817928 2723 1788005 1783729 224 422.5 387.093967013889 0.458235357066619 0.328460965305097 1.1032006141258 1.06204508274438 0.330737318408249 0.250712779270392 0.273026044419211 1.86657479038055 FALSE set1IT016 D-Alanine (N) 7/20/2015 Koxy_ML2_set1 16 2850735 1014 1810791 1806164 221 422.5 391.962673611111 0.425692029383086 0.374156444050399 1.12574177158118 1.06204508274438 0.362406665148244 0.272101374260108 0.299572679887613 2.3125802979578 FALSE set1IT017 L-Citrulline (N) 7/20/2015 Koxy_ML2_set1 17 1859033 2839 1178315 1175202 146 422.5 255.03515625 0.277245335525613 0.585999022624269 1.23504675106508 1.06204508274438 0.178173281530326 0.199136970530822 0.302283611791839 2.76247042912974 FALSE set1IT018 casaminos (N) 7/20/2015 Koxy_ML2_set1 18 2452631 10902 1555197 1551514 205 422.5 336.700086805556 0.348175289408615 0.41750854729565 1.14645982390861 1.06204508274438 0.29236808245969 0.226685809240301 0.417518456937342 2.00429244254093 FALSE set1IT019 Adenosine (N) 7/20/2015 Koxy_ML2_set1 19 2717726 3474 1721735 1717329 226 422.5 372.684244791667 0.416946639855039 0.352052652782595 1.10691520391651 1.06204508274438 0.340820945849107 0.244259072519973 0.266159478549338 2.05362135372484 FALSE set1IT020 Cytidine (N) 7/20/2015 Koxy_ML2_set1 20 2838212 1983 1800371 1795921 232 422.5 389.739800347222 0.451992150663205 0.34052950755284 1.10507459507892 1.06204508274438 0.357166394096806 0.270003156650201 0.273305581742359 2.22474516462551 FALSE set1IT021 Cytosine (N) 7/20/2015 Koxy_ML2_set1 21 2799003 2250 1775214 1770943 235 422.5 384.319227430556 0.447468746259671 0.328942930078537 1.11990586784479 1.06204508274438 0.349258448828295 0.259159854945223 0.287165595069022 1.75930749789929 FALSE set1IT022 Ammonium chloride (N) 7/20/2015 Koxy_ML2_set1 22 2421826 2314 1534158 1530494 191 422.5 332.138454861111 0.392456659814419 0.366095734841187 1.12030261229724 1.06204508274438 0.309620046817526 0.236696602112257 0.310561706759615 2.48496552931637 FALSE set1IT023 nitrate (N) 7/20/2015 Koxy_ML2_set1 23 2294724 792 1455925 1452417 185 422.5 315.194661458333 0.440233546966754 0.352453315794238 1.07946125369242 1.06204508274438 0.3381212822695 0.216143240591566 0.271077635988688 2.15011054122208 FALSE set1IT024 LB, pH4 7/20/2015 Koxy_ML2_set1 24 1353494 6601 854539 852544 113 422.5 185.013888888889 0.355652780690232 0.452501716128442 1.14959882949946 1.06204508274438 0.272560207865277 0.195958108673445 0.400433706695133 2.85286802651758 FALSE set1IT025 LB, pH4 7/20/2015 Koxy_ML2_set1 25 2046707 4110 1293597 1290221 171 422.5 279.995876736111 0.315882542592649 0.517035106133845 1.15026155393833 1.06204508274438 0.222997972378296 0.159239050879881 0.36841296722422 2.23745909945606 FALSE set1IT026 LB, pH5 7/20/2015 Koxy_ML2_set1 26 2674187 12469 1693177 1688767 225 422.5 366.485894097222 0.357884009354233 0.383525764847041 1.11756737532757 1.06204508274438 0.256883589220841 0.254454725563605 0.452112733977301 1.59668457491279 FALSE set1IT027 LB, pH5 7/20/2015 Koxy_ML2_set1 27 2805568 10638 1776449 1772056 237 422.5 384.560763888889 0.389781872011458 0.374762685224627 1.14438990933518 1.06204508274438 0.277235074553804 0.244455373983321 0.454691970921722 2.90752494972972 FALSE set1IT028 LB, pH6 7/20/2015 Koxy_ML2_set1 28 2717691 10336 1724281 1720005 230 422.5 373.264973958333 0.370931726053579 0.363753394277689 1.12675714228594 1.06204508274438 0.302939924652244 0.230036923506313 0.483565516677 2.12710020789952 FALSE set1IT029 LB, pH6 7/20/2015 Koxy_ML2_set1 29 2907954 12367 1842672 1837971 246 422.5 398.865234375 0.36273472855984 0.382253581986231 1.13503053228251 1.06204508274438 0.257227050096812 0.274510427005458 0.478094910600069 2.24451685536421 FALSE set1IT030 LB, pH7 7/20/2015 Koxy_ML2_set1 30 2750776 7637 1746604 1742405 232 422.5 378.126085069444 0.388694767134876 0.347057139999433 1.10507459507892 1.06204508274438 0.26228697239105 0.260955812831785 0.493433347818969 1.98119777644625 FALSE set1IT031 LB, pH7 7/20/2015 Koxy_ML2_set1 31 2584459 9454 1636961 1632965 216.5 422.5 354.376085069444 0.341304940979714 0.379978503558318 1.12338241550528 1.06204508274438 0.246955282592238 0.210118055697487 0.480604942989584 2.32048651973364 FALSE set1IT032 LB, pH8 7/20/2015 Koxy_ML2_set1 32 2255468 7878 1431148 1427545 190 422.5 309.797092013889 0.325848197608876 0.418154775509155 1.14630233164162 1.06204508274438 0.251395578554942 0.200334661959766 0.437575552422348 1.99222427070208 FALSE set1IT033 LB, pH8 7/20/2015 Koxy_ML2_set1 33 2203068 4491 1399551 1396171 188 422.5 302.988498263889 0.367072308000254 0.367932809253429 1.11103131238874 1.06204508274438 0.283192783643451 0.246295121341407 0.457935013192493 1.75370018624207 FALSE set1IT034 LB, pH9 7/20/2015 Koxy_ML2_set1 34 2344138 3557 1486369 1482633 198.5 422.5 321.751953125 0.366448947448774 0.372396606023734 1.08461582402558 1.06204508274438 0.260605191844753 0.25059009828311 0.437767812088983 2.24316948070034 FALSE set1IT035 LB, pH9 7/20/2015 Koxy_ML2_set1 35 2669290 3430 1697264 1693198 226 422.5 367.447482638889 0.390558343792347 0.353291960886068 1.1269274895297 1.06204508274438 0.280960445712741 0.245235794956779 0.444214083134404 2.47375838461028 FALSE set1IT036 LB 23C 7/20/2015 Koxy_ML2_set1 36 2583155 9928 1634795 1630867 217 422.5 353.920789930556 0.398056889804222 0.335301089503485 1.11614544120134 1.06204508274438 0.280542619916694 0.274700994111268 0.509051294640784 1.60595281775451 FALSE set1IT037 LB 23C 7/20/2015 Koxy_ML2_set1 37 2507857 14852 1586367 1582536 212 422.5 343.432291666667 0.37481881530538 0.330076266835226 1.10816392848953 1.06204508274438 0.293748194477467 0.275805902088781 0.501946311549303 1.87066102048448 FALSE set1IT038 LB 30C 7/20/2015 Koxy_ML2_set1 38 2571973 13402 1628505 1624429 219 422.5 352.523654513889 0.357404758899895 0.346546352525752 1.13271208064653 1.06204508274438 0.211629779817058 0.287638994274016 0.502320241553266 1.82935324661252 FALSE set1IT039 LB 30C 7/20/2015 Koxy_ML2_set1 39 2484254 14757 1565113 1561256 207 422.5 338.814236111111 0.361009487036631 0.353713350659216 1.08265954629813 1.06204508274438 0.251590111916078 0.267438731755548 0.48001917121146 2.03889492384662 FALSE set1IT040 LB 37C 7/20/2015 Koxy_ML2_set1 40 2906674 10137 1841461 1836832 248 422.5 398.618055555556 0.404102431698675 0.330368589089229 1.10382284780869 1.06204508274438 0.312749672307397 0.300299626119698 0.492923834322893 1.95154049325876 FALSE set1IT041 LB 37C 7/20/2015 Koxy_ML2_set1 41 2821135 15472 1782633 1778288 236 422.5 385.913194444444 0.369857534061016 0.34863009213083 1.10135843041471 1.06204508274438 0.316673136975139 0.248677168682601 0.469800923193147 1.98984177277654 FALSE set1IT042 Cobalt chloride 0.25 mM 7/20/2015 Koxy_ML2_set1 42 2377060 50262 1486317 1482680 182 422.5 321.762152777778 0.378061295739473 0.404839092950743 1.12415804782356 1.06204508274438 0.285763900660963 0.166565713063901 0.391151842768856 7.74452916314437 FALSE set1IT043 Paraquat dichloride 0.03 mg/ml 7/20/2015 Koxy_ML2_set1 43 2661090 2486 1722479 1718240 205 422.5 372.881944444444 0.448435651279761 0.3453251978044 1.08556059760388 1.06204508274438 0.376624924323285 0.254614850185247 0.405016955924071 8.13205867971374 FALSE set1IT044 Thallium(I) acetate 0.25 mg/ml 7/20/2015 Koxy_ML2_set1 44 2827252 5369 1795506 1791304 233 422.5 388.737847222222 0.417208674222317 0.333738676236353 1.11016497743978 1.06204508274438 0.333993641303967 0.284387175708996 0.473769731213239 1.70211610860828 FALSE set1IT045 Thallium(I) acetate 0.5 mg/ml 7/20/2015 Koxy_ML2_set1 45 2662352 4416 1691908 1687651 224 422.5 366.243706597222 0.430241858627129 0.341942727175334 1.12403421954762 1.06204508274438 0.3588754981453 0.257557464923656 0.461165883563023 2.52496586019371 FALSE set1IT046 Time0 7/20/2015 Koxy_ML2_set1 46 1931045 4045 1218143 1214637 132 290 263.593098958333 0.00653513130755471 0.359481786380326 1.11188986541254 1.07800251200127 -0.00282539512758117 -0.0151384239177458 0.00399426149403396 2.61836140024265 FALSE set1IT047 Time0 7/20/2015 Koxy_ML2_set1 47 2013066 4348 1269289 1265277 137 287.5 274.582682291667 0.0150765913684231 0.339833602184151 1.10954523528029 1.0659249415203 -0.0183316590938812 0.0350822628942772 -0.00379213522445672 3.33586968821387 FALSE set1IT048 Time0 7/20/2015 Koxy_ML2_set1 48 2234877 4655 1408312 1404195 154 269 304.729817708333 -0.0158807237477615 0.344667117363837 1.06807792014409 1.10111066876274 0.00502061317431362 -0.0137913395428306 -0.0154040533490282 2.67998487655476 FALSE set2IT049 Zinc 1.5 mM 7/20/2015 Koxy_ML2_set2 49 2473570 361 1438854 1434953 164 317 311.404730902778 0.244316367590407 0.8240840142395 1.40905424122599 1.06387321835784 0.228120274735481 0.06938778780152 0.247048434205841 7.34916717085969 FALSE set2IT050 LB 7/20/2015 Koxy_ML2_set2 50 2652023 7145 1681141 1677024 225 317 363.9375 0.374649076737469 0.330821563767925 1.1164946329912 1.06387321835784 0.277461270596421 0.216640167304996 0.485494678940694 2.12950596369239 FALSE set2IT051 nitrate 400 mM 7/20/2015 Koxy_ML2_set2 51 2658085 974 1734805 1730342 181.5 317 375.508246527778 0.439645300542105 0.38541062145356 1.12065481733954 1.06387321835784 0.330276089247913 0.173001694937399 0.314731780793518 6.8247710265999 FALSE set2IT052 Sisomicin 0.008 mg/ml 7/20/2015 Koxy_ML2_set2 52 2291516 445 1389458 1380814 142 317 299.655815972222 0.543506869506967 0.392252584525969 1.13315302137922 1.06387321835784 0.407386426507775 0.193816894852699 0.321718911626741 7.66847873755025 FALSE set2IT053 Sisomicin 0.016 mg/ml 7/20/2015 Koxy_ML2_set2 53 2053191 66 680318 674750 5 317 146.430121527778 0.0724337352176585 0.884455414050356 1 1.06387321835784 0.024692787346266 0.0468693109284187 -0.116804116562463 14.6894799518721 FALSE set2IT054 Chlorite 5 mM 7/20/2015 Koxy_ML2_set2 54 2570040 3447 1640012 1635563 217 317 354.939887152778 0.423633509346063 0.364166368714141 1.10233396062964 1.06387321835784 0.319723782927143 0.209307041934624 0.420026904435453 5.81871304113089 FALSE set2IT055 Benzalkonium Chloride 0.004 mg/ml 7/20/2015 Koxy_ML2_set2 55 2636421 10469 1658082 1654252 144.5 317 358.995659722222 0.108730884521525 1.93933768653844 2.37119361395413 1.06387321835784 0.0551568809570255 0.00931327193720019 0.0191092151498381 8.17211027661 FALSE set2IT056 Phosphomycin 0.25 mg/ml 7/20/2015 Koxy_ML2_set2 56 3022579 42 1701755 1686059 5 317 365.898220486111 0.203363815554009 0.684783001607003 1 1.06387321835784 0.136546457023809 0.11164210133861 -0.220119436194812 16.5253534787467 FALSE set2IT057 Dimethyl Sulfoxide 10 vol% 7/20/2015 Koxy_ML2_set2 57 2324109 304 1478258 1474713 178 317 320.033203125 0.381580159899435 0.331193188208258 1.11963294934153 1.06387321835784 0.279926069354059 0.184544324677318 0.430525499186504 2.06707614681375 FALSE set2IT058 LB 7/20/2015 Koxy_ML2_set2 58 2383771 7904 1510183 1506395 202 317 326.908637152778 0.380474917351528 0.349630524258232 1.11851959865042 1.06387321835784 0.277188442375929 0.235807513157494 0.480617982372741 1.88104602350124 FALSE set2IT059 Vancomycin 0.5 mg/ml 7/20/2015 Koxy_ML2_set2 59 2268537 410 1525569 1521385 136 317 330.161675347222 0.468523122613795 0.4219602548724 1.16710998583526 1.06387321835784 0.377708844977667 0.176170751086587 0.337480967599135 11.0627978763356 FALSE set2IT060 Cephalothin 0.08 mg/ml 7/20/2015 Koxy_ML2_set2 60 2607135 7891 2453537 2452889 27 317 532.310980902778 0.290408795649931 0.538931788220813 1.11434391393396 1.06387321835784 0.0517203805354168 -0.0202028570537641 0.0353913186517752 15.6152755478096 FALSE set2IT061 A22 0.01 mg/ml 7/20/2015 Koxy_ML2_set2 61 2737725 1584 1740822 1732515 207.5 317 375.979817708333 0.37342659755341 0.35457772097044 1.12060424231931 1.06387321835784 0.311271295252941 0.15310584854747 0.308170213914014 5.76650850488461 FALSE set2IT062 A22 0.05 mg/ml 7/20/2015 Koxy_ML2_set2 62 3200565 3278 2016908 2010809 246.5 317 436.373480902778 0.369201550047019 0.317877354598339 1.1021629629252 1.06387321835784 0.256043501538987 0.156613380709825 0.359417637770369 2.26869314951895 FALSE set2IT063 A22 0.1 mg/ml 7/20/2015 Koxy_ML2_set2 63 2663336 1745 1687475 1682889 218 317 365.210286458333 0.40268374670609 0.313058931553594 1.12369744997786 1.06387321835784 0.311068336048475 0.154369120426851 0.412639774105424 2.09559067201832 FALSE set2IT064 D-Cycloserine 0.125 mg/ml 7/20/2015 Koxy_ML2_set2 64 2078056 170 1800346 1793824 11 317 389.284722222222 0.104920816421137 0.631996925979819 1.13750352374993 1.06387321835784 0.0516733220373685 0.0872304365547339 -0.0750583242733715 16.0943501317116 FALSE set2IT065 Doxycycline hyclate 0.001 mg/ml 7/20/2015 Koxy_ML2_set2 65 3395072 33 2676059 2675981 3 317 580.725043402778 0.0675457099014632 1.2002332290046 1 1.06387321835784 0.101799737616093 0.115923028442198 -0.188009658914491 17.3116173377298 FALSE set2IT066 Doxycycline hyclate 0.004 mg/ml 7/20/2015 Koxy_ML2_set2 66 3470839 23 3460096 3460065 1 317 750.882161458333 0.105073634629078 0.972542802899367 1 1.06387321835784 0.172935567395595 0.179316264267868 -0.317851885348642 17.8045071080553 FALSE set2IT067 L-Histidine (C) 7/20/2015 Koxy_ML2_set2 67 2365027 631 1500548 1496750 191 317 324.815538194444 0.465664789195369 0.354858102099555 1.11747239664636 1.06387321835784 0.332042448659002 0.20472904944142 0.285227535562392 2.26457326375236 FALSE set2IT068 L-Proline (C) 7/20/2015 Koxy_ML2_set2 68 2124612 248 1349340 1346188 170.5 317 292.141493055556 0.496318670001669 0.329651809807368 1.13065253692131 1.06387321835784 0.393592552981528 0.220538001812506 0.273043844711352 2.33281219356122 FALSE set2IT069 Putrescine (C) 7/20/2015 Koxy_ML2_set2 69 2175861 389 1377377 1374036 179 317 298.184895833333 0.485094014264567 0.337267899736481 1.10473070174348 1.06387321835784 0.377410193822446 0.183429121964353 0.266324256810944 1.93779315566393 FALSE set2IT070 LB, pH10 7/20/2015 Koxy_ML2_set2 70 2290417 998 1461129 1457704 182 317 316.342013888889 0.284004616533844 0.75537055214393 1.31226711831138 1.06387321835784 0.200038555089122 0.139631513426181 0.272144420202493 4.28879066750791 FALSE set2IT071 LB, pH10 7/20/2015 Koxy_ML2_set2 71 2108867 252 1353728 1349000 95.5 317 292.751736111111 0.0853212901188087 1.9319552078476 2.51600755053997 1.06387321835784 0.0713360915062296 0.00120039416308916 0.0540398586610416 8.41841589431646 FALSE set2IT072 Lomefloxacin 0.004 mM 7/20/2015 Koxy_ML2_set2 72 2011097 46 32671 32603 3 317 7.07530381944444 0.0372251259005701 1.0885661536603 1 1.06387321835784 0.062148597374514 -0.00239436246492359 0.0779716329329876 5.83746687703489 FALSE set2IT073 Uridine (N) 7/20/2015 Koxy_ML2_set2 73 1834802 630 1163327 1160468 154 317 251.837673611111 0.44118315274343 0.37876819028723 1.12553088208386 1.06387321835784 0.370965091687059 0.168155595240584 0.268074566995948 2.24066145159916 FALSE set2IT074 Thymidine (N) 7/20/2015 Koxy_ML2_set2 74 1509915 267 958308 955854 122 317 207.43359375 0.432359904310311 0.385191001737322 1.13750352374994 1.06387321835784 0.332120289407614 0.175722960870737 0.291008030723965 2.89588814149362 FALSE set2IT075 Inosine (N) 7/20/2015 Koxy_ML2_set2 75 1880162 1569 1193696 1190749 157 317 258.409071180556 0.436734403301443 0.346800307095606 1.10932960094752 1.06387321835784 0.345915652623214 0.184199822007012 0.263269708854615 2.74195127888039 FALSE set2IT076 Urea (N) 7/20/2015 Koxy_ML2_set2 76 2535397 177 1003353 1000903 129 317 217.209852430556 0.428086366469326 0.362465454198001 1.1108536616137 1.06387321835784 0.389268143978622 0.176212769041015 0.294290217842066 2.17318140696701 FALSE set2IT077 Cobalt chloride 0.5 mM 7/20/2015 Koxy_ML2_set2 77 1074636 75 598876 585983 3 317 127.166449652778 0.159903242157015 0.917733748578101 1 1.06387321835784 0.0946350026091711 0.152226137583141 -0.202510829314001 16.4427470636678 FALSE set2IT078 copper (II) chloride 4 mM 7/20/2015 Koxy_ML2_set2 78 1819952 10 730328 730066 1 317 158.434461805556 0.213284851829802 0.848750120003077 1 1.06387321835784 0.136790842808895 0.166028221301771 -0.239429990665381 15.4048042937485 FALSE set2IT079 sodium fluoride 100 mM 7/20/2015 Koxy_ML2_set2 79 2458424 406 1424759 1422223 76 317 308.642144097222 0.3583458555907 0.38167490373262 1.12553088208386 1.06387321835784 0.242914025917512 0.151914332906504 0.357025390046621 9.14418004203205 FALSE set2IT080 sodium fluoride 200 mM 7/20/2015 Koxy_ML2_set2 80 2239280 50 877236 877172 3 317 190.358506944444 0.0141619771356111 1.12673552695219 1 1.06387321835784 0.100264116302069 0.117768145517756 -0.226680787732316 9.99366175758458 FALSE set2IT081 Paraquat dichloride 0.1 mg/ml 7/20/2015 Koxy_ML2_set2 81 934916 298 761107 760268 39 317 164.988715277778 0.358953006649888 0.465108774559159 1.1320694018878 1.06387321835784 0.26519887489933 0.150669841652228 0.255991608239256 11.8714920996741 FALSE set2IT082 Paraquat dichloride 0.25 mg/ml 7/20/2015 Koxy_ML2_set2 82 899282 748 817105 816720 19 317 177.239583333333 0.110074586464872 0.512760897854031 1.13750352374993 1.06387321835784 0.144231448636234 0.0557497312691466 0.16125377571389 11.1743934189462 FALSE set2IT083 Polymyxin B sulfate 0.005 mg/ml 7/20/2015 Koxy_ML2_set2 83 3706854 153 2305878 2305761 5 317 500.382161458333 -0.0892865935475407 1.11521951407307 1 1.06387321835784 0.110579486268691 0.131306918120073 -0.252604553442423 9.61424987659721 FALSE set2IT084 Polymyxin B sulfate 0.01 mg/ml 7/20/2015 Koxy_ML2_set2 84 2749759 22 2482643 2482608 1 317 538.760416666667 0.119739355815864 1.10616219024437 1 1.06387321835784 0.18085468897157 0.187461581286973 -0.334964128666776 6.83559687499925 FALSE set2IT085 Chloride 1000 mM 7/20/2015 Koxy_ML2_set2 85 2304114 1586 1463801 1459991 176 317 316.838324652778 0.43187752924168 0.388446862723711 1.11547721741994 1.06387321835784 0.283402125660048 0.205248356204417 0.316687974673699 4.65613653074529 FALSE set2IT086 Phosphomycin 0.5 mg/ml 7/20/2015 Koxy_ML2_set2 86 1573090 19 992698 912904 1 317 198.112847222222 0.230045576264192 0.869410809971294 0.736965594166206 1.06387321835784 0.144667672726077 0.181294317283162 -0.271588890141066 17.1861575154316 FALSE set2IT087 D-Cycloserine 0.25 mg/ml 7/20/2015 Koxy_ML2_set2 87 1144918 16 1045721 1030751 1 317 223.687282986111 0.191034261271183 0.897242249586894 0.736965594166206 1.06387321835784 0.132656851988179 0.173933620628203 -0.281149000003505 15.9852120977267 FALSE set2IT088 Time0 7/20/2015 Koxy_ML2_set2 88 1538552 3165 970658 967493 104 214 209.959418402778 0.00795434972027492 0.34177823359178 1.09878387825572 1.06720700403377 0.0254172773763401 0.0415871058833166 0.0013440996691217 2.33527707337073 FALSE set2IT089 Time0 7/20/2015 Koxy_ML2_set2 89 1470667 3047 927918 924937 101 218 200.724175347222 0.000433880117896402 0.355275461684299 1.08597322310985 1.07731189680209 -0.00919680558243437 0.0132034738419544 -0.0548139419550117 2.67838642234329 FALSE set2IT090 Time0 7/20/2015 Koxy_ML2_set2 90 1666936 3445 1050002 1046597 113.5 205 227.126085069444 0.0086707511504117 0.348345503369674 1.07531093152334 1.08674329254185 0.0177015424610153 -0.0283421920366847 0.0259967902161356 3.17409864935087 FALSE set3IT001 D-Fructose (C) 7/20/2015 Koxy_ML2_set3 91 631302 1180 399596 398576 52 278.5 86.4965277777778 0.344751245564033 0.482208279972898 1.08746284125034 1.04730571477836 0.295794132619515 0.169990080428186 0.287070736822504 1.88813622455098 FALSE set3IT002 Sucrose (C) 7/20/2015 Koxy_ML2_set3 92 874422 1772 554463 553018 73 278.5 120.012586805556 0.353335835765958 0.476057966100712 1.13590230773076 1.04730571477836 0.268453317757683 0.162434154235383 0.265165617606434 2.16419369449353 FALSE set3IT003 D-Arabinose (C) 7/20/2015 Koxy_ML2_set3 93 995778 114 639205 637501 79 278.5 138.346571180556 0.409511420453701 0.431041869238922 1.12743373255086 1.04730571477836 0.299555635871853 0.17332780134663 0.293017492199743 8.49508743768851 FALSE set3IT004 D-Maltose (C) 7/20/2015 Koxy_ML2_set3 94 927206 317 586833 585345 71 278.5 127.027994791667 0.39035955431282 0.41164612191662 1.0939932448812 1.04730571477836 0.279357888410309 0.201242649171164 0.284382098552879 2.67207491225151 FALSE set3IT005 L-Sorbose (C) 7/20/2015 Koxy_ML2_set3 95 947499 395 603203 601582 75 278.5 130.551649305556 0.40618436548478 0.577827394833718 1.18249840838962 1.04730571477836 0.288416353012238 0.171572936976338 0.250158524910389 5.8072129706851 FALSE set3IT006 D-Xylose (C) 7/20/2015 Koxy_ML2_set3 96 1143660 269 725122 723264 90 278.5 156.958333333333 0.409328264987603 0.392923625402381 1.10433665981474 1.04730571477836 0.313541777667973 0.208433061761583 0.246781145823416 3.82455880076533 FALSE set3IT007 D-Raffinose (C) 7/20/2015 Koxy_ML2_set3 97 937636 212 617678 615761 36.5 278.5 133.628689236111 0.196243789960524 1.09594275022339 1.68667132096179 1.04730571477836 0.170938519314692 0.00898111993310659 0.108000121945132 10.8571362427675 FALSE set3IT008 L-Rhamnose (C) 7/20/2015 Koxy_ML2_set3 98 1050050 852 652395 650566 81 278.5 141.181857638889 0.340960742728819 0.559013417556838 1.18442457113743 1.04730571477836 0.248436483954738 0.13088772105531 0.249297277938935 5.37199306462465 FALSE set3IT009 a-Cyclodextrin (C) 7/20/2015 Koxy_ML2_set3 99 2431242 596 1548900 1544895 181 278.5 335.263671875 0.440400156475199 0.352057525773311 1.11625831930508 1.04730571477836 0.359009842591903 0.197785741183119 0.277602533720413 4.41438247858162 FALSE set3IT010 L-Fucose (C) 7/20/2015 Koxy_ML2_set3 100 2206263 646 1399681 1396259 183.5 278.5 303.007595486111 0.447538867145323 0.44201090662674 1.16297207931436 1.04730571477836 0.371442487239923 0.228537549989839 0.34047156145664 3.50709296110447 FALSE set3IT011 D-Glucuronic Acid (C) 7/20/2015 Koxy_ML2_set3 101 2282451 521 1460552 1457432 127 278.5 316.282986111111 0.175989814107546 1.60289072650868 2.26286164867324 1.04730571477836 0.141221157623728 0.00422862663891785 0.12727252759398 6.97125544149006 FALSE set3IT012 D-Gluconic Acid (C) 7/20/2015 Koxy_ML2_set3 102 2535197 2648 1606613 1602734 211 278.5 347.815538194444 0.405009946821334 0.368454109748611 1.12070061113749 1.04730571477836 0.347919403450606 0.240725407745045 0.283786160558903 2.57475444790348 FALSE set3IT013 Trisodium citrate (C) 7/20/2015 Koxy_ML2_set3 103 2384786 1458 1510778 1507051 200 278.5 327.050998263889 0.440199541055606 0.37114577290443 1.11889684861931 1.04730571477836 0.341792145465581 0.192204370786935 0.283887114094812 1.99820227414079 FALSE set3IT014 D-Lactate (C) 7/20/2015 Koxy_ML2_set3 104 2258418 402 1430974 1427406 191.5 278.5 309.766927083333 0.419260509745791 0.384828961733458 1.11413671977467 1.04730571477836 0.36626966672426 0.216492226297256 0.292033028820722 2.14037644492265 FALSE set3IT015 L-Lactate (C) 7/20/2015 Koxy_ML2_set3 105 2293896 2463 1455300 1451736 191.5 278.5 315.046875 0.413927759801448 0.372222702604698 1.12553088208386 1.04730571477836 0.351567560156545 0.214008548207789 0.292300522712452 1.72845841554265 FALSE set3IT016 D,L-Lactate (C) 7/20/2015 Koxy_ML2_set3 106 2558937 1389 1621780 1617715 214 278.5 351.066623263889 0.43369366872849 0.35473118011001 1.11792342561513 1.04730571477836 0.323038581018171 0.203237219761668 0.29888662886185 2.26663537915726 FALSE set3IT017 pyruvate (C) 7/20/2015 Koxy_ML2_set3 107 2253483 5212 1427847 1424483 187 278.5 309.132595486111 0.424064168936522 0.364933288315004 1.11547721741994 1.04730571477836 0.322892777063176 0.247364435781271 0.300019169349116 2.32881459748001 FALSE set3IT018 succinate (C) 7/20/2015 Koxy_ML2_set3 108 2318499 366 1473165 1469619 192 278.5 318.927734375 0.475783492524718 0.39432327962035 1.10630054991723 1.04730571477836 0.373734669899859 0.214529595314413 0.259041766326781 8.69133493960365 FALSE set3IT019 D-Mannitol (C) 7/20/2015 Koxy_ML2_set3 109 2066084 1915 1273469 1270680 6 278.5 275.755208333333 0.12140063111642 0.768736647935683 1.22239242133645 1.04730571477836 0.0760960837053279 0.0608378675138618 -0.141951075566469 14.1526258454052 FALSE set3IT020 m-Inositol (C) 7/20/2015 Koxy_ML2_set3 110 2169529 2676 1375144 1371793 179 278.5 297.698133680556 0.402118744088161 0.406835441717362 1.11982994872999 1.04730571477836 0.308056669251017 0.192056500259166 0.299776738487569 2.16821785778697 FALSE set3IT021 Glycerol (C) 7/20/2015 Koxy_ML2_set3 111 2461167 731 1560419 1556594 207 278.5 337.802517361111 0.433044282376212 0.347219926299669 1.10647842066342 1.04730571477836 0.311708353815564 0.257539937659712 0.283779353618119 2.65877739358409 FALSE set3IT022 D,L-Malic Acid (C) 7/20/2015 Koxy_ML2_set3 112 2293259 357 1455095 1451558 192 278.5 315.008246527778 0.446882529569148 0.38896836239576 1.11108349131173 1.04730571477836 0.369007093167748 0.204762919941211 0.25971736655407 2.9362417281134 FALSE set3IT023 L-Malic (C) 7/20/2015 Koxy_ML2_set3 113 1914942 1311 1213257 1210296 160 278.5 262.651041666667 0.446399146130244 0.367810433145847 1.12407508437391 1.04730571477836 0.329115059886617 0.225402350709901 0.306648492180672 2.25920986635226 FALSE set3IT024 L-Glutamine (C) 7/20/2015 Koxy_ML2_set3 114 1918419 373 1217625 1214512 158 278.5 263.565972222222 0.440719247708248 0.39147856466244 1.12079363248932 1.04730571477836 0.335555534515083 0.215303516527277 0.254766449283796 4.89760011460714 FALSE set3IT025 L-Alanine (C) 7/20/2015 Koxy_ML2_set3 115 2464342 528 1562402 1558481 199 278.5 338.212022569444 0.414101576302174 0.367007865703176 1.12239663135973 1.04730571477836 0.351990263956636 0.216930507622635 0.287959013874805 2.26972886278856 FALSE set3IT026 D-Alanine (C) 7/20/2015 Koxy_ML2_set3 116 2458891 307 1560374 1556449 199 278.5 337.771050347222 0.456272996025755 0.375525625290512 1.11751358896468 1.04730571477836 0.360656777752306 0.238755529736469 0.265551662778915 2.46967305030194 FALSE set3IT027 Gly-DL-Asp (C) 7/20/2015 Koxy_ML2_set3 117 2779714 291 2098471 2096805 91 278.5 455.035807291667 0.388835279377827 0.402123695467962 1.15200309344505 1.04730571477836 0.318421425175415 0.167518003375413 0.24533970775711 11.9899029170176 FALSE set3IT028 Gly-Glu (C) 7/20/2015 Koxy_ML2_set3 118 2726216 93 2038842 2036080 37 278.5 441.857638888889 0.351720627848955 0.526746172706557 1.19452114537295 1.04730571477836 0.207967359610638 0.0733129854172777 0.118234473011396 12.4477082325644 FALSE set3IT029 casaminos (C) 7/20/2015 Koxy_ML2_set3 119 2174193 1671 1380951 1377728 181 278.5 298.986111111111 0.367751897589621 0.427603186145897 1.12338241550528 1.04730571477836 0.283971676388342 0.190808814612952 0.383390267447126 2.17503753491172 FALSE set3IT030 Adenosine (C) 7/20/2015 Koxy_ML2_set3 120 2174296 2551 1378150 1374797 181 278.5 298.350043402778 0.40284356193942 0.386236836251718 1.12863597709646 1.04730571477836 0.288270775617079 0.249463504031195 0.31682485662593 2.42396309167671 FALSE set3IT031 D-Salicin (C) 7/20/2015 Koxy_ML2_set3 121 2512156 7048 1589007 1585110 212 278.5 343.990885416667 0.42351419100146 0.356684937090656 1.11547721741994 1.04730571477836 0.314026225195096 0.251506493713067 0.282082427029787 2.67264586817935 FALSE set3IT032 Beta-Lactose (C) 7/20/2015 Koxy_ML2_set3 122 2386386 70 2372009 2371957 2 278.5 514.747612847222 0.0463099265730541 1.0474718815478 1 1.04730571477836 0.170527546096273 0.172941868635612 -0.297002104909948 17.5835107282006 FALSE set3IT033 D-Mannose (C) 7/20/2015 Koxy_ML2_set3 123 1955365 3882 1348294 1346747 2 278.5 292.262803819444 0.228706318697103 0.801963218066267 1 1.04730571477836 0.15475446556058 0.150052875208191 -0.252329842818463 13.8852840442846 FALSE set3IT034 L-Aspartic Acid (N) 7/20/2015 Koxy_ML2_set3 124 2310877 1103 1467242 1463613 195 278.5 317.624348958333 0.397657556711734 0.402200274275442 1.1382133950755 1.04730571477836 0.30920165292696 0.229552096744556 0.296832612760719 2.34768317470958 FALSE set3IT035 L-Serine (N) 7/20/2015 Koxy_ML2_set3 125 2020600 6629 1279585 1276296 164 278.5 276.973958333333 0.342389611269541 0.462803539227107 1.17363826698993 1.04730571477836 0.279782173931387 0.200317234027329 0.303979184491288 2.49748741760662 FALSE set3IT036 Glycine (N) 7/20/2015 Koxy_ML2_set3 126 2237967 763 1414953 1411275 186 278.5 306.266276041667 0.387719415945202 0.422846516784195 1.14600385098641 1.04730571477836 0.278854322515642 0.185882610424605 0.279319454126101 2.2997828327736 FALSE set3IT039 L-Valine (N) 7/20/2015 Koxy_ML2_set3 129 2346714 528 1492167 1488533 195 278.5 323.032335069444 0.432110191619117 0.37863320065883 1.12411739092974 1.04730571477836 0.36504137932746 0.223644818708605 0.295394427683732 2.65130235895638 FALSE set3IT040 L-Leucine (N) 7/20/2015 Koxy_ML2_set3 130 2052035 1383 1299625 1296226 165 278.5 281.299045138889 0.309864779948555 0.490036792003348 1.19406828034946 1.04730571477836 0.261593230531826 0.173948628832404 0.335374871814756 2.91585062473695 FALSE set3IT041 L-Tryptophan (N) 7/20/2015 Koxy_ML2_set3 131 2296309 539 1460062 1456311 188 278.5 316.039713541667 0.384139293889571 0.419803398396693 1.13564587484347 1.04730571477836 0.321367577240687 0.220581066735547 0.322140698967233 2.70619392175479 FALSE set3IT044 Putrescine (N) 7/20/2015 Koxy_ML2_set3 134 2412344 2094 1524367 1520638 192 278.5 329.999565972222 0.446160892409743 0.399395030072407 1.12783651105956 1.04730571477836 0.32217195858431 0.189641513109719 0.262203274228349 2.68208920584531 FALSE set3IT045 Parabanic Acid (N) 7/20/2015 Koxy_ML2_set3 135 2354263 1255 1494710 1490829 193 278.5 323.530598958333 0.407192895099653 0.410527146063828 1.14584179086742 1.04730571477836 0.309844744139404 0.196132758458639 0.285743354253017 2.46800302672564 FALSE set3IT046 Adenine (N) 7/20/2015 Koxy_ML2_set3 136 2480947 1529 1561267 1557394 191 278.5 337.976128472222 0.415212187592586 0.402837838020625 1.12029423371771 1.04730571477836 0.355513850452617 0.204445446986848 0.288772145192199 7.46153356831281 FALSE set3IT047 Time0 7/20/2015 Koxy_ML2_set3 137 1907555 3863 1204706 1201190 130.5 149 260.674913194444 -0.00826293803664264 0.389387383724211 1.09568627414982 1.06604187670724 0.0229616254251196 0.0167337250317218 0.00441671842155072 3.70803888927953 FALSE set3IT048 Time0 7/20/2015 Koxy_ML2_set3 138 2197716 4748 1386140 1382202 149 130.5 299.95703125 -0.00826250429109914 0.389387383724211 1.06604187670724 1.09568627414982 0.0229616254251196 0.0167337250317218 -0.00441671842155071 3.40252746685604 FALSE set4IT080 Time0 27-Mar-17 Koxy_ML2_set4 139 2580006 3333 1614096 1608027 175 166 348.964192708333 0.000341615434736348 0.242831189453417 1.03694320176452 1.04470192713801 -0.0246420350734039 -0.00674811204484093 0.013100865165351 1.74358735513386 FALSE set4IT081 Time0 27-Mar-17 Koxy_ML2_set4 140 2490404 3092 1558719 1552729 166 175 336.963758680556 0.000341615434736348 0.242831189453417 1.04470192713801 1.03694320176452 -0.0246420350734039 -0.00674811204484093 -0.013100865165351 1.70788285466312 FALSE set4IT082 D-Glucose (C) 27-Mar-17 Koxy_ML2_set4 141 2645763 1425 1651463 1644884 183 343 356.962673611111 0.15812507430437 0.233919039204407 1.05610351729485 1.02515909651851 0.135225779052276 0.0123869256331534 -0.00582965339460964 1.29950764226883 TRUE set4IT083 D-Fructose (C) 27-Mar-17 Koxy_ML2_set4 142 2286995 1525 1426024 1420381 159 343 308.242404513889 0.158977924064034 0.235307226711478 1.05849832180857 1.02515909651851 0.116398740648723 0.0054074028434859 -0.0056042192795743 1.34303168563192 TRUE set4IT084 Sucrose (C) 27-Mar-17 Koxy_ML2_set4 143 2701586 1269 1684356 1677526 188 343 364.046440972222 0.138524025881384 0.226180131865701 1.04692415035769 1.02515909651851 0.134881075402665 -0.0094427349548062 -0.0193554298912903 1.55995262049543 TRUE set4IT085 D-Arabinose (C) 27-Mar-17 Koxy_ML2_set4 144 2793918 138 2318190 2314402 30 343 502.257378472222 0.151789475175611 0.412480666835785 1.09953567355091 1.02515909651851 0.0802088320243405 0.0583174768701068 -0.0745396224154078 13.8680229722221 FALSE set4IT086 D-Maltose (C) 27-Mar-17 Koxy_ML2_set4 145 2314118 688 1451590 1445934 147 343 313.787760416667 0.156757407239819 0.24097653747422 1.05764026213761 1.02515909651851 0.145758113796514 0.0308532325344086 0.00164525244000754 1.57583753181197 TRUE set4IT087 L-Sorbose (C) 27-Mar-17 Koxy_ML2_set4 146 2314694 893 1443360 1437391 158 343 311.933810763889 0.212755365572115 0.26315259841091 1.04951253770344 1.02515909651851 0.211423668411226 0.0135760595251348 -0.0103589503477347 1.71887163477198 TRUE set4IT088 D-Xylose (C) 27-Mar-17 Koxy_ML2_set4 147 2238848 617 1395306 1389584 149 343 301.559027777778 0.164318743378158 0.233834587808601 1.0609710432996 1.02515909651851 0.147252963683471 0.0316327519658527 -0.0111192738611226 1.48257436134119 TRUE set4IT089 D-Raffinose (C) 27-Mar-17 Koxy_ML2_set4 148 2151060 811 1345427 1339887 141.5 343 290.774088541667 0.170871005696448 0.300517911422388 1.0680111929858 1.02515909651851 0.192533474149729 0.0299447490284869 0.0264933081745309 7.67617183562169 TRUE set4IT090 L-Rhamnose (C) 27-Mar-17 Koxy_ML2_set4 149 2176273 764 1359527 1353887 146 343 293.812282986111 0.162060918207558 0.254036789383755 1.05585519374851 1.02515909651851 0.14060591741254 -0.0186195540931865 0.0319263249668476 1.34086164279905 TRUE set4IT091 a-Cyclodextrin (C) 27-Mar-17 Koxy_ML2_set4 150 2677713 549 1669212 1662702 177 343 360.829427083333 0.229610683482117 0.245163587875352 1.06413033741972 1.02515909651851 0.23911430259682 0.0604399364712159 -0.0206293077390898 2.66584103586607 TRUE set4IT092 D-Ribose (C) 27-Mar-17 Koxy_ML2_set4 151 2321381 519 1450844 1445043 156 343 313.594401041667 0.172216460390648 0.230169635255203 1.06063600032077 1.02515909651851 0.159636696543825 -0.0180769854031183 -0.00143283374053774 1.70411656619935 TRUE set4IT093 L-Fucose (C) 27-Mar-17 Koxy_ML2_set4 152 2375190 588 1479876 1473847 164.5 343 319.845269097222 0.177154331989166 0.232081873996603 1.07342811386039 1.02515909651851 0.173321317351474 0.0141900597383269 0.0382184540348554 1.41101578060386 TRUE set4IT094 D-Gluconic Acid (C) 27-Mar-17 Koxy_ML2_set4 153 2167047 950 1351297 1345596 147 343 292.013020833333 0.134692704577826 0.239812336474107 1.0525367496628 1.02515909651851 0.144620444066133 0.000323895096308123 -0.0146641883559605 1.33027311243484 TRUE set4IT095 D-Glucose-6-Phosphate (C) 27-Mar-17 Koxy_ML2_set4 154 2189305 1268 1366579 1360901 148 343 295.334418402778 0.140621396041712 0.2494736723053 1.08080392047456 1.02515909651851 0.173340086621488 -0.016018830878226 -0.0211481262653484 1.35475171984041 TRUE set4IT096 acetate (C) 27-Mar-17 Koxy_ML2_set4 155 2522800 320 1577199 1570952 170 343 340.918402777778 0.180901255037593 0.227898674394021 1.03952836418664 1.02515909651851 0.174558595786098 -0.0379739490614221 -0.00487786629787023 1.41708312626556 TRUE set5IT001 D-Cellobiose (C) 27-Mar-17 Koxy_ML2_set5 156 2065220 1178 1288633 1283194 145 490 278.470920138889 0.133173719899435 0.244891477773597 1.04679968352615 1.04084147918559 0.0942247489759064 0.0410456830315 -0.0160166901276622 1.93644921762703 TRUE set5IT002 Trisodium citrate (C) 27-Mar-17 Koxy_ML2_set5 157 2554567 1422 1591294 1584706 179 490 343.903211805556 0.201620385718128 0.236555375507014 1.05286411474094 1.04084147918559 0.14042447875334 0.0310074508888766 -0.0110466210192017 2.50388674587453 TRUE set5IT003 D-Lactate (C) 27-Mar-17 Koxy_ML2_set5 158 2255618 321 1408926 1403365 154 490 304.549696180556 0.269937573921562 0.242834105382691 1.04202420554196 1.04084147918559 0.152594945056795 0.0497165308486536 0.00683382937608508 3.92923173579913 TRUE set5IT004 L-Lactate (C) 27-Mar-17 Koxy_ML2_set5 159 2577208 821 1604812 1597986 180 490 346.78515625 0.173118200892362 0.233590730047589 1.03613795048716 1.04084147918559 0.149366367406806 0.0164619624208876 -0.00993702505222182 1.22400874375959 TRUE set5IT005 D,L-Lactate (C) 27-Mar-17 Koxy_ML2_set5 160 2440377 535 1526426 1520165 167 490 329.896918402778 0.163285316338368 0.242255206582438 1.053143357771 1.04084147918559 0.175419969528003 0.0451621821741255 -0.00972202182479681 1.85052041699738 TRUE set5IT006 pyruvate (C) 27-Mar-17 Koxy_ML2_set5 161 2588883 2047 1614650 1608179 181 490 348.997178819444 0.139911479617229 0.265414688918084 1.04516948531172 1.04084147918559 0.121722668794534 0.038798859492465 0.00399276235343453 1.84673199355657 TRUE set5IT007 succinate (C) 27-Mar-17 Koxy_ML2_set5 162 2335735 442 1457838 1451551 156 490 315.006727430556 0.22585294719015 0.294682698559138 1.04796992498727 1.04084147918559 0.199287147913212 0.0936573685069664 -0.0190709456879166 7.6714792947516 TRUE set5IT008 D-Mannitol (C) 27-Mar-17 Koxy_ML2_set5 163 2137252 3153 1321987 1317249 4 490 285.861328125 0.0702914130736284 0.706757727199335 1 1.04084147918559 0.0603813115492179 0.0710284867389158 -0.148062448261447 12.7857204875577 FALSE set5IT009 m-Inositol (C) 27-Mar-17 Koxy_ML2_set5 164 2106849 788 1314725 1309393 147 490 284.156467013889 0.184795406642602 0.242666690531947 1.03715573679952 1.04084147918559 0.151459307221843 0.0596008198776595 0.00197807469761513 1.31069277500921 TRUE set5IT010 Glycerol (C) 27-Mar-17 Koxy_ML2_set5 165 2570315 1006 1602534 1595918 182 490 346.336371527778 0.138804005751762 0.258494747484724 1.0449751123865 1.04084147918559 0.101911856127698 0.0708792400655597 -0.0145410836300538 1.50738098467228 TRUE set5IT011 D-Sorbitol (C) 27-Mar-17 Koxy_ML2_set5 166 2549103 1144 1589616 1583170 179 490 343.569878472222 0.206764368012866 0.223339991599777 1.02669168273139 1.04084147918559 0.128618016904387 0.00590705483567656 -0.0126163415291549 1.79874654858654 TRUE set5IT012 D,L-Malic Acid (C) 27-Mar-17 Koxy_ML2_set5 167 2409136 395 1500324 1494291 166 490 324.281901041667 0.297417714782409 0.253836132082103 1.03260570640502 1.04084147918559 0.210845153168017 0.0665048244024232 -0.00806057182808799 4.5213346481739 TRUE set5IT013 L-Malic (C) 27-Mar-17 Koxy_ML2_set5 168 2458163 877 1528535 1522210 171 490 330.340711805556 0.166176061902651 0.240083004829171 1.05637314769228 1.04084147918559 0.170517643903529 0.00701958944083965 -0.00512231234997232 1.32044097220634 TRUE set5IT014 D-Trehalose (C) 27-Mar-17 Koxy_ML2_set5 169 2554502 1323 1592027 1585418 178 490 344.057725694444 0.153248485220936 0.227290039694939 1.06000816772939 1.04084147918559 0.127621292776873 0.0237360099742293 -0.0019566610701847 1.2639422875815 TRUE set5IT015 L-Glutamine (C) 27-Mar-17 Koxy_ML2_set5 170 2266946 207 1318264 1313132 138 490 284.967881944444 0.196289169358279 0.269067876713395 1.07181915496102 1.04084147918559 0.216356326521214 0.0703692197585489 -0.0174888480946961 6.9190123071464 TRUE set5IT016 L-Alanine (C) 27-Mar-17 Koxy_ML2_set5 171 2547501 379 1592883 1586378 173 490 344.266059027778 0.158568011119189 0.241662523969699 1.06133367583254 1.04084147918559 0.174309219513913 0.0147798487508498 -0.00208460985945175 1.59736485748384 TRUE set5IT017 D-Serine (C) 27-Mar-17 Koxy_ML2_set5 172 2472415 788 1542215 1536087 173 490 333.352213541667 0.150706044563016 0.238506570387532 1.05118482408198 1.04084147918559 0.156719427201158 0.070613321817481 0.000889885269987858 1.79273541418632 TRUE set5IT018 D-Alanine (C) 27-Mar-17 Koxy_ML2_set5 173 2345687 269 1460043 1454019 163 490 315.542317708333 0.220344888876822 0.251202309337242 1.04223225655156 1.04084147918559 0.211648708014075 0.0537201451114851 -0.00285417409087605 2.45965213417242 TRUE set5IT019 Gly-DL-Asp (C) 27-Mar-17 Koxy_ML2_set5 174 2710206 485 1765613 1762222 35 490 382.426649305556 0.119245744507123 0.56438734194514 1.38541452301625 1.04084147918559 0.0744022921921197 0.010889294666909 -0.0507650041664759 11.7972645877585 FALSE set5IT020 Gly-Glu (C) 27-Mar-17 Koxy_ML2_set5 175 2258381 716 1612717 1605871 59 490 348.496310763889 0.154551622059026 0.541505790900063 1.37851162325373 1.04084147918559 0.098177049975446 0.0205871644872419 -0.0338087257273132 9.11477456193826 FALSE set5IT021 D-Glucosamine Hydrochloride (C) 27-Mar-17 Koxy_ML2_set5 176 2019692 494 1263904 1258802 131 490 273.177517361111 0.153461101593443 0.241847640849902 1.04520594001901 1.04084147918559 0.111216336728505 0.0253187851321989 0.000746790298616651 1.35266795520589 TRUE set5IT022 Adenosine (C) 27-Mar-17 Koxy_ML2_set5 177 2237901 551 1398701 1393231 154 490 302.350477430556 0.11861778046667 0.240763744552585 1.05328123450525 1.04084147918559 0.122982365442926 0.0372657798850784 0.00401983363898751 1.44346607590406 TRUE set5IT023 Inosine (C) 27-Mar-17 Koxy_ML2_set5 178 2095315 1480 1310541 1305212 142 490 283.249131944444 0.118835653413443 0.337049547202784 1.08654645638802 1.04084147918559 0.0860409250656448 0.0448164866629867 -0.0125839056118261 4.85998911602811 TRUE set5IT024 Cytidine (C) 27-Mar-17 Koxy_ML2_set5 179 2298053 850 1432646 1426581 160 490 309.587890625 0.154629177337845 0.232694753497971 1.02938819600279 1.04084147918559 0.11175010294414 0.0310320919633022 -0.0141781674868067 1.60595442337175 TRUE set5IT025 D-Salicin (C) 27-Mar-17 Koxy_ML2_set5 180 2570212 1213 1600234 1593624 180 490 345.838541666667 0.143795236858385 0.239893384974355 1.05782175636961 1.04084147918559 0.163781502940792 0.0388802604179023 0.0126634434898579 1.46984253788295 TRUE set5IT026 Beta-Lactose (C) 27-Mar-17 Koxy_ML2_set5 181 2297436 54 2280187 2280066 3 490 494.805989583333 -0.00227504489976792 1.08615093647048 1 1.04084147918559 0.0881254199570285 0.112095984006502 -0.201478025881589 15.5133230747864 FALSE set5IT027 D-Mannose (C) 27-Mar-17 Koxy_ML2_set5 182 2546789 3289 1588106 1582291 2 490 343.379123263889 0.154754587962263 0.742574560990942 1 1.04084147918559 0.107051966328603 0.0763179225524709 -0.182620448403586 13.3254175151595 FALSE set5IT028 D-Glucose (C) 27-Mar-17 Koxy_ML2_set5 183 2282218 5054 1419314 1413508 160 490 306.750868055556 0.108663090665058 0.268490135101376 1.06572542681384 1.04084147918559 0.092516357195893 -0.0165906424943934 -0.0194916662310141 1.71029733233145 TRUE set5IT029 D-Fructose (C) 27-Mar-17 Koxy_ML2_set5 184 2332322 2004 1455121 1449027 163 490 314.458984375 0.142812791515424 0.294833128979524 1.09521782728239 1.04084147918559 0.127269593087973 -0.013895025451651 -0.0082670566559986 1.85744445009553 TRUE set5IT030 Sucrose (C) 27-Mar-17 Koxy_ML2_set5 185 2423840 2034 1511715 1505537 168 490 326.722439236111 0.138105828160909 0.238710615185693 1.05523078590482 1.04084147918559 0.11739847434539 0.0399314430941579 -0.0124583116431416 1.51611022371546 TRUE set5IT031 D-Arabinose (C) 27-Mar-17 Koxy_ML2_set5 186 3371686 142 2796701 2790650 49 490 605.609809027778 0.167887503217033 0.342887549974535 1.11399545973824 1.04084147918559 0.130655487195175 0.0380710047897659 -0.0546342115026284 13.6712493371363 FALSE set5IT032 D-Maltose (C) 27-Mar-17 Koxy_ML2_set5 187 2496908 764 1566671 1560675 159 490 338.688151041667 0.165891195761945 0.231966462318421 1.04182017569463 1.04084147918559 0.145171162880668 -0.00223080904678627 -0.000471320764422826 1.33308018217549 TRUE set5IT033 L-Sorbose (C) 27-Mar-17 Koxy_ML2_set5 188 2139319 1957 1334785 1329126 148 490 288.438802083333 0.192725386046878 0.311239951534353 1.07240849552805 1.04084147918559 0.132205362639359 0.0291176080823495 -0.0213209226133476 2.4316144991156 TRUE set5IT034 D-Xylose (C) 27-Mar-17 Koxy_ML2_set5 189 2195319 555 1370241 1364868 148 490 296.1953125 0.178885388481807 0.240653230344329 1.05551565619437 1.04084147918559 0.115743032080197 0.0955252528621224 0.00409378992694509 1.12949135028998 TRUE set5IT035 D-Raffinose (C) 27-Mar-17 Koxy_ML2_set5 190 2586546 1080 1619286 1612627 170 490 349.962456597222 0.203815720982373 0.280476048849698 1.05345760195826 1.04084147918559 0.155877056449642 0.0544164111531769 0.0223364178171517 7.43044643741823 TRUE set5IT036 L-Rhamnose (C) 27-Mar-17 Koxy_ML2_set5 191 2441581 915 1522976 1516862 167.5 490 329.180121527778 0.171806580613628 0.236453110892894 1.04116766771667 1.04084147918559 0.169694258706749 0.00981014586324024 0.031968608539096 1.76285814558376 TRUE set5IT037 a-Cyclodextrin (C) 27-Mar-17 Koxy_ML2_set5 192 2938674 641 1828822 1821878 191 490 395.372829861111 0.245589069016632 0.240033729599066 1.05462381904746 1.04084147918559 0.210507066078471 0.0333110186833345 -0.0144961399148638 2.61193665423509 TRUE set5IT038 D-Ribose (C) 27-Mar-17 Koxy_ML2_set5 193 2520138 711 1575463 1568994 167 490 340.493489583333 0.140907862102561 0.251185229585381 1.03362793168962 1.04084147918559 0.165850738588529 0.058650657306607 0.00346889259517083 2.25339275894266 TRUE set5IT039 L-Fucose (C) 27-Mar-17 Koxy_ML2_set5 194 2673552 632 1666518 1659709 182 490 360.179904513889 0.192517187350518 0.225665423514684 1.0317241866565 1.04084147918559 0.149265176136035 0.0692537373114784 0.0324301119507938 1.43840843496333 TRUE set5IT040 D-Gluconic Acid (C) 27-Mar-17 Koxy_ML2_set5 195 2272073 1680 1416576 1410488 153.5 490 306.095486111111 0.136425446976087 0.281065249106094 1.07070439560571 1.04084147918559 0.0965971561084643 0.0630540872603326 -0.0266604865909312 1.63393289905058 TRUE set5IT041 D-Glucose-6-Phosphate (C) 27-Mar-17 Koxy_ML2_set5 196 2393814 2647 1492927 1486885 163 490 322.674696180556 0.132230482687128 0.295569313922154 1.04730571477836 1.04084147918559 0.108080779881489 0.038173197827413 -0.00456998246952054 1.27940184352367 TRUE set5IT042 acetate (C) 27-Mar-17 Koxy_ML2_set5 197 2034873 376 1270590 1265421 137 490 274.613932291667 0.176956638415615 0.264707410773274 1.0357011639099 1.04084147918559 0.164961069733833 0.0281786479503313 0.000383941433314631 1.56308088010171 TRUE set5IT043 D-Cellobiose (C) 27-Mar-17 Koxy_ML2_set5 198 2280832 1661 1421637 1415867 160 490 307.262803819444 0.127433914572257 0.26463175901994 1.05387300509121 1.04084147918559 0.109839296254606 0.0586713953045328 -0.00944425080313566 1.4890674461621 TRUE set5IT044 Trisodium citrate (C) 27-Mar-17 Koxy_ML2_set5 199 2547801 1451 1588052 1581367 180 490 343.178602430556 0.163904910133116 0.243777898101369 1.02428389655036 1.04084147918559 0.167671373958992 0.0177725890307635 -0.00136114432136374 1.52067292126829 TRUE set5IT045 D-Lactate (C) 27-Mar-17 Koxy_ML2_set5 200 2223782 364 1387025 1381389 156 490 299.780598958333 0.226204863628157 0.239021675068849 1.0286832082521 1.04084147918559 0.0996958057904851 0.0340909297964962 0.014657601331779 1.87115375064449 TRUE set5IT046 L-Lactate (C) 27-Mar-17 Koxy_ML2_set5 201 2346347 1766 1464987 1458947 165 490 316.611762152778 0.144893521685605 0.255177921784724 1.06398681845251 1.04084147918559 0.119249299451999 0.0304873330807564 -0.00316069929127651 1.44947487339535 TRUE set5IT047 D,L-Lactate (C) 27-Mar-17 Koxy_ML2_set5 202 2535859 525 1581671 1575320 175 490 341.866319444444 0.172434056027048 0.219610343362085 1.06416204848777 1.04084147918559 0.143199178911334 0.0594028154867345 0.00929265970933484 2.00498507563897 TRUE set5IT048 pyruvate (C) 27-Mar-17 Koxy_ML2_set5 203 2356555 1784 1467606 1461530 164 490 317.172309027778 0.155328925771036 0.241600848640603 1.05329342177552 1.04084147918559 0.15547078039126 -0.0328440443442822 -0.005215573925181 2.18264095530124 TRUE set5IT049 succinate (C) 27-Mar-17 Koxy_ML2_set5 204 2626197 413 1636221 1629294 181 490 353.579427083333 0.19714086988675 0.278484191869307 1.03004978234237 1.04084147918559 0.141974294539172 0.000790449583440556 -0.0138430534301613 5.48704115373443 TRUE set5IT050 D-Mannitol (C) 27-Mar-17 Koxy_ML2_set5 205 2412777 2255 1586194 1581983 3 490 343.312282986111 0.12075054088807 0.743411022967604 1 1.04084147918559 0.0291572962496359 0.0888106391011372 -0.181996370897871 14.1618729346792 FALSE set5IT051 m-Inositol (C) 27-Mar-17 Koxy_ML2_set5 206 2536020 768 1580509 1573873 174 490 341.552300347222 0.182615772069372 0.236546949433073 1.02515947665778 1.04084147918559 0.110798429007433 0.0691550310670503 -0.0143560567230306 1.64478037886718 TRUE set5IT052 Glycerol (C) 27-Mar-17 Koxy_ML2_set5 207 1578032 2539 982373 978233 111 490 212.290147569444 0.0806739218235301 0.593661087521846 1.20645087746743 1.04084147918559 0.0229476442586987 -0.0122352208759031 -0.00707968737451212 2.70238980568827 FALSE set5IT053 D-Sorbitol (C) 27-Mar-17 Koxy_ML2_set5 208 2295354 1225 1429301 1423484 159 490 308.915798611111 0.143818672833329 0.250333344887808 1.03773417764842 1.04084147918559 0.117919988592593 0.00732968920615663 -0.0127708106398988 1.82658100992479 TRUE set5IT054 D,L-Malic Acid (C) 27-Mar-17 Koxy_ML2_set5 209 2696273 388 1681578 1674936 186 490 363.484375 0.313759580548741 0.246518293463897 1.02576515032004 1.04084147918559 0.261359117758738 0.102940265767592 0.00981807407490922 4.40353153111537 TRUE set5IT055 L-Malic (C) 27-Mar-17 Koxy_ML2_set5 210 2405230 945 1497159 1490831 169 490 323.531032986111 0.158240877885313 0.2570411758657 1.09251594691626 1.04084147918559 0.187401557871435 0.00544464588371772 0.00487678371685098 1.83005183571657 TRUE set5IT056 D-Trehalose (C) 27-Mar-17 Koxy_ML2_set5 211 2456100 1385 1530213 1523837 171.5 490 330.693793402778 0.161432900141163 0.243871057804237 1.04730571477836 1.04084147918559 0.10550931438245 -0.000333025876989911 0.000148046956595122 2.05636929489817 TRUE set5IT057 L-Glutamine (C) 27-Mar-17 Koxy_ML2_set5 212 1427518 563 848578 845291 86 490 183.439887152778 0.136000326082122 0.648039102557027 1.20574904671377 1.04084147918559 0.145607444114046 -0.0125060677125116 -0.0147132869872341 7.24181079952204 FALSE set5IT058 L-Alanine (C) 27-Mar-17 Koxy_ML2_set5 213 2218052 378 1386634 1381109 152 490 299.719835069444 0.187695464843159 0.242202695848965 1.04004159416356 1.04084147918559 0.186838793362283 0.0608579402852517 0.00768371132905382 1.51075373623165 TRUE set5IT059 D-Serine (C) 27-Mar-17 Koxy_ML2_set5 214 2305718 670 1439321 1433552 160 490 311.100694444444 0.148162589734571 0.245048290699617 1.05898720527048 1.04084147918559 0.15933340046268 0.0377039523051289 -0.00236160936520738 1.7094094568463 TRUE set5IT060 D-Alanine (C) 27-Mar-17 Koxy_ML2_set5 215 2042024 275 1272054 1266831 141 490 274.919921875 0.204629814651226 0.318346099357063 1.0703893278914 1.04084147918559 0.148626284125022 0.0486939819183063 -0.00507293648450542 1.52459299725212 TRUE set5IT061 Gly-DL-Asp (C) 27-Mar-17 Koxy_ML2_set5 216 2971249 207 1924123 1920520 36 490 416.779513888889 0.117401884934976 0.513124265458364 1.32192809488736 1.04084147918559 0.0747227546603562 0.0467449616179074 -0.0566515311176576 12.0141737127875 FALSE set5IT062 Gly-Glu (C) 27-Mar-17 Koxy_ML2_set5 217 2418302 376 1729619 1722697 70 490 373.849175347222 0.138564614750988 0.478211693431058 1.34293698564609 1.04084147918559 0.110720349244074 0.023970063337536 -0.0400049162448925 8.90765554736486 TRUE set5IT063 D-Glucosamine Hydrochloride (C) 27-Mar-17 Koxy_ML2_set5 218 1768385 2945 1098277 1093663 120 490 237.340060763889 0.0962619677321138 0.498004312792926 1.14235371102047 1.04084147918559 0.0557560408448804 -0.0385854264543296 -0.0306317817449637 3.43761558717584 FALSE set5IT064 Adenosine (C) 27-Mar-17 Koxy_ML2_set5 219 2494472 690 1559637 1553423 170.5 490 337.114366319444 0.117569116757528 0.247478168246567 1.04836688777108 1.04084147918559 0.0706493700911954 0.0233748814532625 0.00453997030770755 1.4110937039663 TRUE set5IT065 Inosine (C) 27-Mar-17 Koxy_ML2_set5 220 2350767 1061 1472036 1466335 160 490 318.215060763889 0.124628408608988 0.299544055044764 1.04453158434609 1.04084147918559 0.0969040810726893 -0.00530488419180685 0.000147486351192492 4.77473614902392 TRUE set5IT066 Cytidine (C) 27-Mar-17 Koxy_ML2_set5 221 2407582 801 1504468 1498245 160.5 490 325.139973958333 0.144833170947052 0.279874900447802 1.08421769165091 1.04084147918559 0.122105693681355 0.0147302986590192 -0.0217254703697709 2.78568652752661 TRUE set5IT067 D-Salicin (C) 27-Mar-17 Koxy_ML2_set5 222 2736641 2087 1704638 1697813 189.5 490 368.449001736111 0.117114675152546 0.320222398547728 1.06336769756809 1.04084147918559 0.0989138563984234 -0.0135813932638898 0.00601964349047614 1.63130330429915 TRUE set5IT068 Beta-Lactose (C) 27-Mar-17 Koxy_ML2_set5 223 2333308 39 2318184 2318096 2 490 503.059027777778 0.0603807848514235 1.07322861355737 1 1.04084147918559 0.061952724494824 0.0861740356927512 -0.204301999666432 15.5317310822348 FALSE set5IT069 D-Mannose (C) 27-Mar-17 Koxy_ML2_set5 224 2095821 3296 1339155 1336305 4 490 289.996744791667 0.138876120993001 0.748606996106619 1 1.04084147918559 0.0734572419454858 0.0460590210412515 -0.131842460979839 13.5666217388542 FALSE set5IT070 Time0 27-Mar-17 Koxy_ML2_set5 225 2364165 2726 1478758 1473331 160 329 319.733289930556 0.0012388162187125 0.242152885810434 1.04581523773278 1.04548537226573 0.027715403512431 -0.0728439458609253 0.0105916464312196 2.01814095970071 FALSE set5IT071 Time0 27-Mar-17 Koxy_ML2_set5 226 2566809 5105 1600621 1595040 172 319 346.145833333333 -0.00546185433608428 0.280186416639119 1.0646126828208 1.04279666926922 0.0122012937339821 -0.05272485470152 -0.00297394083658035 1.75286816579087 FALSE set5IT072 Time0 27-Mar-17 Koxy_ML2_set5 227 2354089 4443 1469360 1463847 159 332 317.675130208333 0.00748453021218514 0.272171090905451 1.04631950026324 1.04601885867921 -0.0197778332057383 -0.00536949501095348 -0.0323819209564106 2.22659023901386 FALSE set6IT001 L-Arginine (N) 27-Apr-17 Koxy_ML2_set6 228 1947084 1639 1215871 1211957 148 760 263.011501736111 0.113512394254209 0.410295790419805 1.12305078687921 1.04240167312269 0.126928185537527 0.0384386005142019 0.026719023311986 2.12863928815713 TRUE set6IT002 L-Histidine (N) 27-Apr-17 Koxy_ML2_set6 229 2831810 1239 1773909 1768509 212 760 383.791015625 0.215336578049917 0.237119550098631 1.07526763800997 1.04240167312269 0.188854831980075 0.0270651800894443 0.0295091809731805 1.17326224524094 TRUE set6IT003 L-Lysine (N) 27-Apr-17 Koxy_ML2_set6 230 2164455 563 1358553 1354557 163 760 293.957682291667 0.207981783102025 0.306487727062394 1.09402881635291 1.04240167312269 0.247679683824939 0.0546395146642305 0.0518598053896066 2.15143872378061 TRUE set6IT004 L-aspartic (N) 27-Apr-17 Koxy_ML2_set6 231 2451195 1302 1537405 1532531 189 760 332.580512152778 0.204419134335407 0.285551030588735 1.09614396550316 1.04240167312269 0.182755932241953 0.0262208576072832 0.0403587575775531 4.34088199004704 TRUE set6IT005 L-Glutamic (N) 27-Apr-17 Koxy_ML2_set6 232 2566374 1028 1603968 1598979 196 760 347.000651041667 0.195023959073434 0.25403567440229 1.06324448879512 1.04240167312269 0.192360253171533 0.0564825096110395 0.0191671631061078 1.66849009150926 TRUE set6IT006 L-Serine (N) 27-Apr-17 Koxy_ML2_set6 233 1347331 3839 844365 841571 100 760 182.632595486111 0.0697766219208627 0.778241910671628 1.2840006974694 1.04240167312269 0.0411532929503303 0.0207203337071381 0.0368155944866214 2.67002328552205 FALSE set6IT007 L-Threonine (N) 27-Apr-17 Koxy_ML2_set6 234 2929881 390 2163042 2159124 156 760 468.559895833333 0.199073012970411 0.260199820924165 1.05897981495904 1.04240167312269 0.136399747804316 0.0208838930965018 0.014658375830839 2.46244419893123 TRUE set6IT008 L-Asparagine (N) 27-Apr-17 Koxy_ML2_set6 235 2167471 2417 1357628 1353454 167 760 293.718315972222 0.181951405827887 0.252076242063313 1.08668300772376 1.04240167312269 0.199259827671961 -0.00102114107404421 0.0173372448806938 1.39886409583943 TRUE set6IT009 L-Glutamine (N) 27-Apr-17 Koxy_ML2_set6 236 2318283 2480 1450769 1446324 176 760 313.872395833333 0.167947032966429 0.241185404173523 1.07438417492288 1.04240167312269 0.118817122318492 0.0382984938675967 0.00725581157623012 1.37052159146004 TRUE set6IT010 L-Cysteine (N) 27-Apr-17 Koxy_ML2_set6 237 2626216 3709 1646937 1641939 200 760 356.323567708333 0.114089363618299 0.326339516381405 1.09377649599271 1.04240167312269 0.111198956738167 0.0333392246668127 0.0448479876667984 1.77284365728675 TRUE set6IT011 Glycine (N) 27-Apr-17 Koxy_ML2_set6 238 2277858 1169 1424710 1420390 172 760 308.244357638889 0.148222806079476 0.344179355405632 1.10907447397633 1.04240167312269 0.114318072671985 0.0690580578874957 0.0213561163092933 1.91125219155442 TRUE set6IT012 L-Proline (N) 27-Apr-17 Koxy_ML2_set6 239 2281871 526 1427639 1423245 173 760 308.863932291667 0.203272119818153 0.260603506848378 1.09935068893125 1.04240167312269 0.224445745939899 0.0478837486440653 0.0469869637315442 1.71538722538601 TRUE set6IT013 L-Alanine (N) 27-Apr-17 Koxy_ML2_set6 240 1958900 3348 1225504 1222044 146.5 760 265.200520833333 0.0934066607840223 0.52538508805062 1.1548031859346 1.04240167312269 0.105534976868821 -0.00040048704953297 0.0260760545011273 2.54890036821438 FALSE set6IT014 L-Valine (N) 27-Apr-17 Koxy_ML2_set6 241 2769157 588 1736470 1731259 210 760 375.707248263889 0.255788695000677 0.238992285215192 1.09415176537858 1.04240167312269 0.200072853843318 0.0765284200454653 0.0329594952737721 1.34793408743581 TRUE set6IT015 L-Isoleucine (N) 27-Apr-17 Koxy_ML2_set6 242 2480576 428 1558408 1553753 192 760 337.185980902778 0.237229516353655 0.251691782853808 1.07851537908327 1.04240167312269 0.169798997173642 0.0717374619819122 0.0531752980546944 1.87197349761565 TRUE set6IT016 L-Leucine (N) 27-Apr-17 Koxy_ML2_set6 243 2467903 418 1548147 1543356 189 760 334.9296875 0.213372943638116 0.251818456610114 1.07635088613011 1.04240167312269 0.178149887264909 0.0892216064619605 0.0444857294983337 5.10760381279113 TRUE set6IT017 L-Phenylalanine (N) 27-Apr-17 Koxy_ML2_set6 244 2046430 2258 1283617 1279922 153 760 277.760850694444 0.135363604698388 0.400454268673167 1.14785238712188 1.04240167312269 0.0642389035382423 -0.0111403443776321 0.0519672427199226 1.96526681401714 TRUE set6IT018 L-tyrosine (N) 27-Apr-17 Koxy_ML2_set6 245 1180252 944 741564 739266 89 760 160.430989583333 0.0677460698830604 0.753690374903158 1.26303440583379 1.04240167312269 0.0723338235639385 -0.0180926446958043 0.0497511822284534 2.52131685064676 FALSE set6IT019 L-Tryptophan (N) 27-Apr-17 Koxy_ML2_set6 246 2246536 278 1409493 1405512 172 760 305.015625 0.228605694427468 0.273069837268058 1.08169107778777 1.04240167312269 0.200001556115115 0.0497694884988789 0.0582994039484998 1.62937575097019 TRUE set6IT020 D-Serine (N) 27-Apr-17 Koxy_ML2_set6 247 1814276 7413 1131868 1128241 137 760 244.843967013889 0.156838079939049 0.366551475966432 1.11446763360161 1.04240167312269 0.109277636077625 0.011288312503223 0.0224142711787189 2.93661227950451 TRUE set6IT021 D-Alanine (N) 27-Apr-17 Koxy_ML2_set6 248 1839432 1352 1152057 1148477 138 760 249.235460069444 0.108154053794032 0.471505631341323 1.13124614337359 1.04240167312269 0.0695316762712974 0.0194135472554418 0.00214437502402091 2.138061555657 TRUE set6IT022 Gly-DL-Asp (N) 27-Apr-17 Koxy_ML2_set6 249 1399299 4004 874891 872332 104 760 189.308159722222 0.102212626044735 0.493257992548226 1.16992500144231 1.04240167312269 0.0950161081083286 -0.00405809249064762 0.0083608645721403 7.13126667579656 TRUE set6IT023 L-Citrulline (N) 27-Apr-17 Koxy_ML2_set6 250 2071194 334 1297691 1293905 160 760 280.795355902778 0.232226049738907 0.258695353767739 1.08452492259403 1.04240167312269 0.216496626685274 0.0374182398164572 0.046443426610824 1.90346719995284 TRUE set6IT024 Casamino Acids (N) 27-Apr-17 Koxy_ML2_set6 251 2038057 1221 1279364 1275346 160 760 276.767795138889 0.102071469251778 0.349945276814195 1.10973337449447 1.04240167312269 0.0239847961723745 0.0105850552374085 0.0769916173404401 2.08463294982095 TRUE set6IT025 Putrescine (N) 27-Apr-17 Koxy_ML2_set6 252 2804828 1196 1757697 1752336 218 760 380.28125 0.200331921026536 0.248238171709212 1.0911478880582 1.04240167312269 0.221782426165353 0.0375667806114438 0.0313259061142475 1.49591439520877 TRUE set6IT026 N-Acetyl-D-glucosamine (N) 27-Apr-17 Koxy_ML2_set6 253 2396956 1080 1502223 1497590 178 760 324.997829861111 0.199874620149863 0.285815994907001 1.08415245288707 1.04240167312269 0.164758267622579 0.0119195882485306 0.0203716557420822 3.30080932668085 TRUE set6IT027 Parabanic Acid (N) 27-Apr-17 Koxy_ML2_set6 254 2673478 1178 1673349 1668207 207 760 362.024088541667 0.182287351445169 0.235674767461923 1.07714786274027 1.04240167312269 0.178881392174642 0.0213123660578518 0.0183182276262589 1.28414004560931 TRUE set6IT028 Adenosine (N) 27-Apr-17 Koxy_ML2_set6 255 1578743 6076 987913 984785 119 760 213.712022569444 0.0794318107063321 0.547410096390095 1.18488980657467 1.04240167312269 0.0888853216520199 -0.0105695581943776 0.0190313268897765 2.02774821901011 FALSE set6IT029 Uridine (N) 27-Apr-17 Koxy_ML2_set6 256 2392358 833 1500664 1496106 183 760 324.67578125 0.162606702977257 0.358710108131971 1.13378381128753 1.04240167312269 0.12091571398095 0.0300398813455632 0.0269829454907783 4.46999847399153 TRUE set6IT030 Thymidine (N) 27-Apr-17 Koxy_ML2_set6 257 2259818 981 1414257 1409912 170 760 305.970486111111 0.191345413719188 0.36442351488508 1.11146209622982 1.04240167312269 0.121933662523327 0.00890986476876204 0.0114870953979064 2.33112189966539 TRUE set6IT031 Inosine (N) 27-Apr-17 Koxy_ML2_set6 258 2060434 4791 1286490 1282736 154 760 278.371527777778 0.088186693071105 0.530422767758543 1.16017669333192 1.04240167312269 0.138409935313102 -0.0071122478035038 0.00953916530854494 1.94263005481141 FALSE set6IT032 Cytidine (N) 27-Apr-17 Koxy_ML2_set6 259 2474493 2442 1550494 1545606 191 760 335.41796875 0.216555343805302 0.235906915017777 1.07826795727398 1.04240167312269 0.173954170017086 0.0166249014756595 0.0126659120610671 1.82082888153086 TRUE set6IT033 Thymine (N) 27-Apr-17 Koxy_ML2_set6 260 1707754 416 1070432 1067091 131 760 231.573567708333 0.123929212731707 0.55957671599682 1.22239242133645 1.04240167312269 0.102244521568075 0.0288429938626618 0.0446835975675391 2.90174335293703 FALSE set6IT034 Cytosine (N) 27-Apr-17 Koxy_ML2_set6 261 1708686 3301 1068278 1064927 134 760 231.103949652778 0.118175017355513 0.417744058398191 1.12880355696025 1.04240167312269 0.164901777705709 0.0118544719585383 0.022361977451125 2.21660946446437 TRUE set6IT035 Glucuronamide (N) 27-Apr-17 Koxy_ML2_set6 262 1962780 462 1232070 1228068 150 760 266.5078125 0.110084319664028 0.452603232387435 1.16394277509188 1.04240167312269 0.0966526777776945 -0.00215156953545112 0.0994312416573639 1.99666281809059 TRUE set6IT036 Ammonium chloride (N) 27-Apr-17 Koxy_ML2_set6 263 2429091 5891 1520100 1515453 184 760 328.874348958333 0.19177282662408 0.231266242099636 1.06220517109497 1.04240167312269 0.188570125020296 0.0848970164295876 0.00797866724020516 1.3446102510739 TRUE set6IT037 nitrate (N) 27-Apr-17 Koxy_ML2_set6 264 3155312 805 1983051 1977189 225 760 429.077473958333 0.210827330494814 0.244171108612985 1.08657603689818 1.04240167312269 0.226557791621034 0.0736459866180107 0.00645391629546636 1.22573680920832 TRUE set6IT038 Urea (N) 27-Apr-17 Koxy_ML2_set6 265 2811933 3214 1758912 1753629 218 760 380.561848958333 0.218096613660365 0.234246670082736 1.06728858181864 1.04240167312269 0.203106681897568 0.0462831291041843 0.0220567270075021 1.11166549366241 TRUE set6IT039 L-Arginine (N) 27-Apr-17 Koxy_ML2_set6 266 2084229 2437 1304873 1301030 157 760 282.341579861111 0.141629031493051 0.466775275661608 1.16992500144231 1.04240167312269 0.10568662870757 0.0418429712258503 0.0328851643118427 3.14534788221016 TRUE set6IT040 L-Histidine (N) 27-Apr-17 Koxy_ML2_set6 267 2370471 1033 1486849 1482202 179 760 321.658420138889 0.206341433088634 0.245627942232469 1.06680480382272 1.04240167312269 0.200999417943429 0.0692092482753233 0.0192884249525959 1.34836970458454 TRUE set6IT041 L-Lysine (N) 27-Apr-17 Koxy_ML2_set6 268 2521314 723 1584218 1579345 189 760 342.739800347222 0.221847050104706 0.311555002075999 1.09589688208325 1.04240167312269 0.171260816347902 0.0139840697555705 0.0527535659478529 2.41749975124862 TRUE set6IT042 L-aspartic (N) 27-Apr-17 Koxy_ML2_set6 269 1528001 3275 960075 956994 115 760 207.680989583333 0.109441038243199 0.571862267813356 1.18304434783048 1.04240167312269 0.128708493352446 0.0069836078849112 0.0496284110672621 4.33082674399082 FALSE set6IT043 L-Glutamic (N) 27-Apr-17 Koxy_ML2_set6 270 2430925 896 1521726 1517095 187 760 329.230685763889 0.200366888120741 0.238745205094531 1.07528812730424 1.04240167312269 0.163492706952251 0.0375610350515509 0.0129297758429532 1.54832310631499 TRUE set6IT044 L-Serine (N) 27-Apr-17 Koxy_ML2_set6 271 2365551 2000 1484276 1479422 180.5 760 321.055121527778 0.135791491185114 0.340667000352074 1.10246572563511 1.04240167312269 0.177872205751526 0.0546041490582165 0.0520063127434683 2.78915868807535 TRUE set6IT045 L-Threonine (N) 27-Apr-17 Koxy_ML2_set6 272 2653976 405 1959600 1956213 142 760 424.525390625 0.181408772685451 0.296431762971113 1.10929023005108 1.04240167312269 0.195653730723836 0.057509814583992 0.0349986268702583 2.27439118074134 TRUE set6IT046 L-Asparagine (N) 27-Apr-17 Koxy_ML2_set6 273 2465725 4680 1543920 1538901 190 760 333.962890625 0.164885981561844 0.299841543162851 1.10553122065867 1.04240167312269 0.130508138544096 -0.0118173208460026 0.00786412460811027 2.2226124147341 TRUE set6IT047 L-Glutamine (N) 27-Apr-17 Koxy_ML2_set6 274 2408998 2488 1508847 1504236 183 760 326.440104166667 0.174642637563245 0.243574451061357 1.05743927611648 1.04240167312269 0.12406214235786 0.0774429318521028 0.00688456116644291 1.35390302558554 TRUE set6IT048 L-Cysteine (N) 27-Apr-17 Koxy_ML2_set6 275 1087729 906 681120 679053 83 760 147.363932291667 0.144449758593964 0.337379533192257 1.09489705358921 1.04240167312269 0.169289832043823 0.064626152147933 0.0257048697223771 1.50951426782122 TRUE set6IT049 Glycine (N) 27-Apr-17 Koxy_ML2_set6 276 2002239 2819 1248499 1244460 148 760 270.065104166667 0.1166364200749 0.5856584354489 1.24060589847835 1.04240167312269 0.0809254506790148 0.0395171980840964 0.0179599759477066 3.67071929959226 FALSE set6IT050 L-Proline (N) 27-Apr-17 Koxy_ML2_set6 277 2592768 733 1622353 1617408 197.5 760 351 0.206000889453361 0.272467608122618 1.08141499379922 1.04240167312269 0.175461975762195 0.0274704833980571 0.0304174183302518 1.70171512510912 TRUE set6IT051 L-Alanine (N) 27-Apr-17 Koxy_ML2_set6 278 2663084 742 1668529 1663401 203 760 360.981119791667 0.205868208920387 0.230303610062735 1.0470412427239 1.04240167312269 0.20768251757739 0.13568140067802 0.0336554194033161 2.48115688293625 TRUE set6IT052 L-Valine (N) 27-Apr-17 Koxy_ML2_set6 279 1593171 1736 997670 994760 121 760 215.876736111111 0.0783475654433782 0.615198904302516 1.20496711089655 1.04240167312269 0.131437821858956 0.0290296951550898 0.0257080639513393 2.35419068437059 FALSE set6IT053 L-Isoleucine (N) 27-Apr-17 Koxy_ML2_set6 280 2635335 468 1654178 1649286 201 760 357.91796875 0.211802989085259 0.259123906642506 1.08097174836617 1.04240167312269 0.202516899051841 0.00607375474275354 0.0518209688041839 2.02946642237988 TRUE set6IT054 L-Leucine (N) 27-Apr-17 Koxy_ML2_set6 281 2757914 417 1731147 1725732 214 760 374.5078125 0.216446449048149 0.241192144179012 1.07194984187901 1.04240167312269 0.211089653953423 0.0870721000483753 0.041265401002074 5.11794350102786 TRUE set6IT055 L-Phenylalanine (N) 27-Apr-17 Koxy_ML2_set6 282 2616698 847 1642385 1637529 200 760 355.366536458333 0.199914298784925 0.263198896982386 1.09545810792289 1.04240167312269 0.168060903518253 0.05127158922304 0.0562242673266012 1.69336767616539 TRUE set6IT056 L-tyrosine (N) 27-Apr-17 Koxy_ML2_set6 283 2181778 1234 1363619 1359537 163 760 295.038411458333 0.173097601279375 0.431007056049954 1.13750352374994 1.04240167312269 0.160954023141309 0.0478352376464913 0.0545429725816276 1.7569789230014 TRUE set6IT057 L-Tryptophan (N) 27-Apr-17 Koxy_ML2_set6 284 2223707 560 1393965 1389711 172 760 301.586588541667 0.191829167817087 0.303885885955983 1.08705861175226 1.04240167312269 0.173966552788387 0.0579787884544761 0.0325660672336699 2.37933931571236 TRUE set6IT058 D-Serine (N) 27-Apr-17 Koxy_ML2_set6 285 2483166 2558 1553958 1549176 185 760 336.192708333333 0.221582143472155 0.232742773549799 1.08277195084326 1.04240167312269 0.150523458867624 0.0667055941239393 0.0171886530180386 1.55561583619598 TRUE set6IT059 D-Alanine (N) 27-Apr-17 Koxy_ML2_set6 286 2466848 613 1544923 1540112 189 760 334.225694444444 0.18476938118374 0.2449244780369 1.06121498903085 1.04240167312269 0.201921746946347 0.0252510705825752 0.0347644644510709 1.29548108541297 TRUE set6IT060 Gly-DL-Asp (N) 27-Apr-17 Koxy_ML2_set6 287 2359530 1223 1478985 1474390 177 760 319.963107638889 0.160101758032791 0.245512832682784 1.07324898203064 1.04240167312269 0.14459310446971 0.0177518021171399 0.0133667170445825 4.9949230313533 TRUE set6IT061 L-Citrulline (N) 27-Apr-17 Koxy_ML2_set6 288 2038738 762 1279926 1276010 154 760 276.911892361111 0.101834175346589 0.511120109338378 1.18071754678451 1.04240167312269 0.102082598898734 0.0395141661011088 0.0291960973860622 2.51038134245467 FALSE set6IT062 Casamino Acids (N) 27-Apr-17 Koxy_ML2_set6 289 2264442 1311 1420657 1415885 178 760 307.266710069444 0.083882694173029 0.357483504933264 1.13430109171159 1.04240167312269 0.0235933689269336 0.0118458168771677 0.0905173774035047 2.09232670498932 FALSE set6IT063 Putrescine (N) 27-Apr-17 Koxy_ML2_set6 290 2472503 1031 1547106 1542454 189 760 334.733940972222 0.198474229435447 0.257946444933673 1.07733905137005 1.04240167312269 0.14739179787543 -0.0278843947951986 0.0321650827064315 1.51774506418064 TRUE set6IT064 N-Acetyl-D-glucosamine (N) 27-Apr-17 Koxy_ML2_set6 291 1792647 2194 1124364 1121022 130 760 243.27734375 0.126716332435931 0.512133932616809 1.18472823248497 1.04240167312269 0.0956409361476703 0.0665258361848849 0.0142628114955968 3.76610318381447 FALSE set6IT065 Parabanic Acid (N) 27-Apr-17 Koxy_ML2_set6 292 2732837 1137 1711859 1706718 209.5 760 370.381510416667 0.197858611006622 0.253832129948756 1.0625767216842 1.04240167312269 0.184135945812603 0.0508986066438606 0.00824676153363193 1.26683953847407 TRUE set6IT066 Adenosine (N) 27-Apr-17 Koxy_ML2_set6 293 2457114 2590 1538190 1533603 188 760 332.813151041667 0.138248827648812 0.312382448663006 1.12199052437861 1.04240167312269 0.112760575105013 0.0241874485764716 0.0294725172627295 1.7164939315984 TRUE set6IT067 Uridine (N) 27-Apr-17 Koxy_ML2_set6 294 2406431 1078 1510672 1505901 184.5 760 326.801432291667 0.117395313934256 0.457475187515611 1.15228048145864 1.04240167312269 0.131768886261586 0.0826907112484895 0.0192264359655408 2.28857851675217 TRUE set6IT068 Thymidine (N) 27-Apr-17 Koxy_ML2_set6 295 2236454 390 1403036 1398637 171 760 303.523654513889 0.241781486461135 0.263777678760085 1.07209053055622 1.04240167312269 0.19122290805414 0.0336480570601919 0.0412389399222177 2.22835001826289 TRUE set6IT069 Inosine (N) 27-Apr-17 Koxy_ML2_set6 296 2506404 994 1569200 1564359 192.5 760 339.487630208333 0.222582164343095 0.233394636245712 1.09691305594286 1.04240167312269 0.231864239253576 0.0926373256968785 0.0102940172825268 1.52259057097607 TRUE set6IT070 Cytidine (N) 27-Apr-17 Koxy_ML2_set6 297 2444216 2410 1530800 1526185 189 760 331.203342013889 0.196382163391657 0.259204643331241 1.0911478880582 1.04240167312269 0.193562674849102 0.0458778960054046 0.0207294073765184 1.83208029895005 TRUE set6IT071 Thymine (N) 27-Apr-17 Koxy_ML2_set6 298 2053402 500 1290019 1286081 158 760 279.097439236111 0.145224111553962 0.479472289110712 1.18472823248497 1.04240167312269 0.157894153471719 0.00296986947535284 0.0163439362182041 3.03919040949145 TRUE set6IT072 Cytosine (N) 27-Apr-17 Koxy_ML2_set6 299 2476169 1180 1553715 1549050 190 760 336.165364583333 0.182365317718252 0.25405021040889 1.07500638147124 1.04240167312269 0.21775311375608 0.0417571240526553 0.0291446230386441 1.43953747666861 TRUE set6IT073 Glucuronamide (N) 27-Apr-17 Koxy_ML2_set6 300 2160499 559 1354850 1350861 166 760 293.155598958333 0.141335532143583 0.391483560511738 1.12187974383314 1.04240167312269 0.127124324445993 0.00678459256848206 0.0683337317724675 2.15152424356488 TRUE set6IT074 Ammonium chloride (N) 27-Apr-17 Koxy_ML2_set6 301 2646260 2122 1660033 1654923 203 760 359.141276041667 0.167983290186452 0.227553098058043 1.0815488141998 1.04240167312269 0.128602691774933 0.0617152941776758 0.0124723657945061 1.926328449604 TRUE set6IT075 nitrate (N) 27-Apr-17 Koxy_ML2_set6 302 2273231 1304 1425909 1421672 161 760 308.522569444444 0.123590006067532 0.423652751063201 1.18013913393836 1.04240167312269 0.117479527464671 0.0591782757101277 0.00206142841393025 2.26893496599759 TRUE set6IT076 Urea (N) 27-Apr-17 Koxy_ML2_set6 303 2335515 4129 1462867 1458203 181 760 316.450303819444 0.172636763071244 0.264286212567532 1.07622349535367 1.04240167312269 0.139856755587685 0.0248081205446704 0.0166384929937181 1.62174664874696 TRUE set6IT077 Time0 27-Apr-17 Koxy_ML2_set6 304 2735220 4650 1719245 1714385 201 555 372.045355902778 0.0150980389835383 0.232009177891237 1.08033013327218 1.04425804656855 -0.0355750053518384 -0.0733941642936669 0.0148448664310603 1.37327710746807 FALSE set6IT078 Time0 27-Apr-17 Koxy_ML2_set6 305 2559594 4208 1607851 1603190 191 568 347.914496527778 -0.00806867750396575 0.230605064955482 1.04565169359575 1.04908110464781 -0.00608082307683188 0.0392440649494332 -0.0127334101461416 1.17015819301701 FALSE set6IT079 Time0 27-Apr-17 Koxy_ML2_set6 306 2480210 5132 1556429 1551790 184 574.5 336.759982638889 -0.0237144497814486 0.239049985022754 1.04810765762965 1.0453055297713 0.0139116238408225 -0.0314973154435516 -0.0538779178546806 1.50067034360458 FALSE set6IT080 Time0 27-Apr-17 Koxy_ML2_set6 307 2449279 4337 1538334 1533811 182 576 332.858289930556 0.00643726433880879 0.232773771267398 1.0522901967958 1.04932771236357 0.0220481447162644 0.0193311223071183 0.00532728115471328 1.32175858103092 FALSE set6IT081 Chloramphenicol 0.001 mg/ml 27-Apr-17 Koxy_ML2_set6 308 2589794 2689 1187584 1184285 115 760 257.006293402778 0.115764871526374 0.397701646758467 1.1940979435301 1.04240167312269 0.121929268734314 0.027503792476218 0.0904740485748492 9.0077942368581 TRUE set6IT082 Chloramphenicol 0.01 mg/ml 27-Apr-17 Koxy_ML2_set6 309 2946009 184 158268 158075 7 760 34.3044704861111 0.0395614468090857 0.812861137601673 1 1.04240167312269 0.0237503982248405 -0.0167122308146689 -0.0329005436362018 7.79528925066625 FALSE set6IT083 Tetracycline 0.001 mg/ml 27-Apr-17 Koxy_ML2_set6 310 3461211 190 2928912 2928348 17 760 635.4921875 0.051939021962131 0.841405157028758 1.32192809488736 1.04240167312269 0.109298992508973 0.0405544277163819 -0.13895991114072 13.8390354199773 FALSE set6IT084 Tetracycline 0.003 mg/ml 27-Apr-17 Koxy_ML2_set6 311 4007968 284 3973209 3973063 6 760 862.209852430556 0.0415791858118353 0.95772822681458 1 1.04240167312269 0.121864104190904 0.138552408386517 -0.31757725082035 14.6041183821956 FALSE set6IT085 Spectinomycin 0.03 mg/ml 27-Apr-17 Koxy_ML2_set6 312 2821072 287 1417450 1416423 37 760 307.383463541667 0.121312586430239 0.453298888459316 1.11547721741994 1.04240167312269 0.0887180297803482 0.0198153040839939 -0.0318076635598909 13.3410027405518 FALSE set6IT086 Nalidixic 0.008 mg/ml 27-Apr-17 Koxy_ML2_set6 313 2503850 123 68126 67933 6 760 14.7424045138889 0.0402300701649065 0.980126708706008 1 1.04240167312269 0.05683590142269 -0.0121193288603433 -0.0378913998520838 5.47044327959824 FALSE set6IT087 Nalidixic 0.016 mg/ml 27-Apr-17 Koxy_ML2_set6 314 4108958 207 4046261 4046023 7 760 878.043185763889 -0.01865954328922 0.987393647484683 1.10691520391651 1.04240167312269 0.163908167157709 0.123194483217339 -0.33519517242316 4.31434063213276 FALSE set6IT088 LB 27-Apr-17 Koxy_ML2_set6 315 2225458 6223 1391884 1387373 173 760 301.079210069444 0.114621065739754 0.238883784910911 1.05805427899957 1.04240167312269 0.0606642553107888 0.034708243619361 0.0757814029478677 2.09147154524176 TRUE set6IT089 Nickel (II) chloride 1 mM 27-Apr-17 Koxy_ML2_set6 316 2399514 3844 1507324 1502800 184 760 326.128472222222 0.152890183121743 0.240244950941875 1.05123250229479 1.04240167312269 0.112513048173682 -0.00380093312617152 0.0931456931897209 2.4291734634814 TRUE set6IT090 Nickel (II) chloride 1.5 mM 27-Apr-17 Koxy_ML2_set6 317 3055788 5670 2378980 2375155 134 760 515.441623263889 0.21263104367302 0.281500515200634 1.09844558203517 1.04240167312269 0.157162557146807 0.0507847223961526 0.0555674671307257 5.47691368954468 TRUE set6IT091 Cobalt chloride 0.5 mM 27-Apr-17 Koxy_ML2_set6 318 2529054 94516 1602460 1598063 135 760 346.801866319444 0.151884470036518 0.40513473722691 1.12905649864496 1.04240167312269 0.157525228108882 0.0216442569407467 0.042143549160915 10.5649694476535 TRUE set6IT092 copper (II) chloride 2 mM 27-Apr-17 Koxy_ML2_set6 319 2364971 2000 1485247 1480574 185 760 321.305121527778 0.171937466322743 0.257288042791748 1.07271521976078 1.04240167312269 0.122761968599612 0.0561517006897381 0.0552089145008861 2.32036729276994 TRUE set6IT093 copper (II) chloride 3 mM 27-Apr-17 Koxy_ML2_set6 320 2568617 2407 1610575 1605268 195 760 348.365451388889 0.188127796005508 0.211028763652954 1.04711338108292 1.04240167312269 0.154612243596507 0.0830628270050301 0.0034171281506951 1.22014881479533 TRUE set6IT094 copper (II) chloride 4 mM 27-Apr-17 Koxy_ML2_set6 321 1009000 162 941124 940814 10 760 204.169704861111 0.0427375987771482 0.687792204706168 1.05253692854617 1.04240167312269 0.0758829991492797 0.0393561009155868 -0.166963390757654 8.94593348550879 FALSE set6IT095 sodium fluoride 100 mM 27-Apr-17 Koxy_ML2_set6 322 2865966 324 1261210 1260637 24 760 273.575737847222 0.0486083393905575 0.496979191482629 1.16992500144231 1.04240167312269 0.0474785879367823 5.04529974237724e-05 -0.0701195618903961 8.92735942818025 FALSE set6IT096 sodium fluoride 200 mM 27-Apr-17 Koxy_ML2_set6 323 3198726 348 1324137 1323768 16 760 287.276041666667 0.0401339703237183 0.625806975864229 1.15200309344505 1.04240167312269 0.0552145267232058 0.0562608929381865 -0.12278035558037 6.10678270746844 FALSE set7IT001 Paraquat dichloride 0.1 mg/ml 27-Apr-17 Koxy_ML2_set7 324 1928501 817 1561191 1559511 52 723 338.435546875 0.112401960428759 0.373213934471753 1.0823502105494 1.04616856904227 0.162702310143611 0.0605582392033986 -0.0346539067488786 10.6504152672311 TRUE set7IT002 Paraquat dichloride 0.25 mg/ml 27-Apr-17 Koxy_ML2_set7 325 2160774 877 2005957 2005199 30 723 435.156032986111 0.0686847538710368 0.481672437737839 1.11946936510817 1.04616856904227 0.0327135653207951 0.0604766579124494 -0.132830046603432 12.0489162950149 FALSE set7IT003 Thallium(I) acetate 0.4 mg/ml 27-Apr-17 Koxy_ML2_set7 326 2337220 3202 1700369 1699415 33 723 368.796657986111 0.0650381204097798 0.411880983072501 1.15200309344505 1.04616856904227 0.119204750009062 0.0652286696716322 -0.0712143672258619 6.50158981818626 FALSE set7IT004 Thallium(I) acetate 0.6 mg/ml 27-Apr-17 Koxy_ML2_set7 327 1936682 377 977172 976522 24 723 211.918836805556 0.0685608450310433 0.475248685502623 1.11196268439734 1.04616856904227 0.0453468868283746 0.0704516417948843 -0.0560592708029229 7.78222798022971 FALSE set7IT005 Cisplatin 0.2 mg/ml 27-Apr-17 Koxy_ML2_set7 328 3912295 48 3891517 3891401 3 723 844.488064236111 0.076276271348491 1.18908462063306 1 1.04616856904227 0.22522666798258 0.163437208997394 -0.364529399602956 6.48514935792527 FALSE set7IT006 Zinc 2 mM 27-Apr-17 Koxy_ML2_set7 329 3298275 99 2419897 2419568 4 723 525.079861111111 0.19697859884976 0.878781886309631 1 1.04616856904227 0.140297436852636 0.12925413493516 -0.206168279159549 11.505296300618 FALSE set7IT007 LB 27-Apr-17 Koxy_ML2_set7 330 2440878 2107 1530827 1526135 183 723 331.192491319444 0.0932402506244644 0.246825704483622 1.0708524116731 1.04616856904227 0.0663878499586349 0.0380727204010429 0.011351228870403 1.30198542414783 FALSE set7IT008 nitrite 20 mM 27-Apr-17 Koxy_ML2_set7 331 1960799 4532 1225684 1221913 146 723 265.172092013889 0.114986993019374 0.340894771782817 1.1178673718796 1.04616856904227 0.130551429163327 0.0134836333168552 -0.00596019983191439 2.11039631710115 TRUE set7IT009 nitrite 40 mM 27-Apr-17 Koxy_ML2_set7 332 2040781 2979 1279201 1275276 156 723 276.752604166667 0.130154101947218 0.247462421460019 1.08312243416019 1.04616856904227 0.150114326562195 0.0759155715400974 0.0627049775317527 1.97439392380498 TRUE set7IT010 Sisomicin 0.008 mg/ml 27-Apr-17 Koxy_ML2_set7 333 1806239 569 899476 889860 53 723 193.111979166667 0.243132199296041 0.443819220818877 1.16992500144231 1.04616856904227 0.14431703849477 0.0151710712537787 0.0403690735611946 10.7164379374435 TRUE set7IT011 Sisomicin 0.016 mg/ml 27-Apr-17 Koxy_ML2_set7 334 1876936 159 1582719 1577599 9 723 342.360894097222 0.176861762364612 0.646459591142627 1.09953567355091 1.04616856904227 0.107466463893489 0.0489216693628205 -0.205980511883421 14.2189417073436 FALSE set7IT012 Chlorite 2.5 mM 27-Apr-17 Koxy_ML2_set7 335 2684845 656 1693289 1690807 77 723 366.928602430556 0.116752747160382 0.319703993509326 1.10465310970814 1.04616856904227 0.0456765347533876 0.0172071115699116 -0.0355438533568075 11.1792343888539 TRUE set7IT013 perchlorate 100 mM 27-Apr-17 Koxy_ML2_set7 336 2716031 1034 1755281 1749526 171 723 379.671440972222 0.169741571308706 0.264847698502398 1.07245306409557 1.04616856904227 0.150289107159441 0.0385812403721026 0.0402457454595953 7.85567363988639 TRUE set7IT014 Polymyxin B sulfate 0.01 mg/ml 27-Apr-17 Koxy_ML2_set7 337 3771507 125 2576423 2576192 7 723 559.069444444444 0.00627527131345321 0.960645569637946 1 1.04616856904227 0.12106179957693 0.0975506426964309 -0.30791937338766 4.06070246065922 FALSE set7IT015 Chloride 1000 mM 27-Apr-17 Koxy_ML2_set7 338 2459601 1402 1554560 1549387 169.5 723 336.238498263889 0.178344387401532 0.217645534661739 1.07650797970711 1.04616856904227 0.158282138560807 0.0446246396350713 0.0515042879740079 2.68730113607641 TRUE set7IT016 LB 27-Apr-17 Koxy_ML2_set7 339 2199853 3806 1379070 1374822 171 723 298.35546875 0.103151599310856 0.228325396691117 1.05576227403629 1.04616856904227 0.114416610412656 -0.0136387888472203 0.0969550236493511 1.41478041570066 TRUE set7IT017 Benzethonium chloride 0.06 mM 27-Apr-17 Koxy_ML2_set7 340 2458903 3129 1548612 1547454 7 723 335.819010416667 0.147377901552655 0.867436308863269 1.32192809488736 1.04616856904227 0.100006824520283 0.0753988393113113 -0.119004305833245 10.6324680379962 FALSE set7IT018 Phosphomycin 0.125 mg/ml 27-Apr-17 Koxy_ML2_set7 341 2880336 122 1926019 1919721 9 723 416.606119791667 0.148526452047957 0.715250886748643 1.13750352374994 1.04616856904227 0.112501435761779 0.104126216078415 -0.177165726939968 14.3563214323335 FALSE set7IT019 Phosphomycin 0.25 mg/ml 27-Apr-17 Koxy_ML2_set7 342 2402505 171 2037559 2020468 5 723 438.469618055556 0.166078821019906 0.821801938140132 1 1.04616856904227 0.166625353384147 0.133278404122256 -0.275977794959155 13.3310032818131 FALSE set7IT020 Phosphomycin 0.5 mg/ml 27-Apr-17 Koxy_ML2_set7 343 1397199 62 572391 543135 4 723 117.867838541667 0.196941893897767 0.803125659489039 1 1.04616856904227 0.129601656294071 0.0651211848659016 -0.217982697145743 11.9676045528265 FALSE set7IT021 Fusidic 0.5 mg/ml 27-Apr-17 Koxy_ML2_set7 344 2145206 1923 1302214 1298155 156 723 281.717664930556 0.133117251164173 0.224148359903897 1.04223225655156 1.04616856904227 0.153719641219597 0.0272101558343661 0.0939977200364347 3.72170151489534 TRUE set7IT022 Fusidic 1 mg/ml 27-Apr-17 Koxy_ML2_set7 345 1667108 1429 1045706 1042111 126 723 226.152560763889 0.134013218070753 0.262166451950838 1.06166414690367 1.04616856904227 0.145590922487792 0.0253277971327805 0.0479461010949001 3.99699003190929 TRUE set7IT023 Dimethyl Sulfoxide 10 vol% 27-Apr-17 Koxy_ML2_set7 346 2140447 478 1347966 1343962 158 723 291.658420138889 0.0901679389142009 0.242106092637461 1.08746284125034 1.04616856904227 0.0745175978700036 -0.0689502798304199 0.0611394248889775 1.68648262798101 FALSE set7IT024 LB 27-Apr-17 Koxy_ML2_set7 347 2026357 2636 1265554 1261625 151 723 273.790147569444 0.0677680047574629 0.268905948174511 1.09689553288298 1.04616856904227 0.122219788341795 0.0386455545918618 -0.0422028370209063 1.90130559810808 FALSE set7IT025 Vancomycin 1 mg/ml 27-Apr-17 Koxy_ML2_set7 348 2872934 110 1474832 1474611 5 723 320.011067708333 0.149604345685179 0.774736709379629 1 1.04616856904227 0.155299871472986 0.076411120198295 -0.274206203348812 15.0667280344473 FALSE set7IT026 Cephalothin 0.16 mg/ml 27-Apr-17 Koxy_ML2_set7 349 2300748 2321 1446262 1441078 177 723 312.733940972222 0.231004253743659 0.257586018135914 1.11017503145939 1.04616856904227 0.213948561714284 0.0151433124913279 0.0211074759751076 2.82769010277743 TRUE set7IT027 A22 0.1 mg/ml 27-Apr-17 Koxy_ML2_set7 350 2546258 1073 1593799 1588272 187 723 344.677083333333 0.135313758928134 0.236478608146951 1.08122494044008 1.04616856904227 0.135666289123083 0.0199794796593271 -0.0543586014646015 2.29970071665355 TRUE set7IT028 Lomefloxacin 0.004 mM 27-Apr-17 Koxy_ML2_set7 351 2432115 108 66217 66065 4 723 14.3370225694444 0.0451814728691967 1.08556276201607 1 1.04616856904227 0.0259706533361775 -0.00460041723393729 -0.0600885848549325 11.4416122439493 FALSE set7IT029 D-Cycloserine 0.5 mg/ml 27-Apr-17 Koxy_ML2_set7 352 3920599 104 275396 275249 4 723 59.7328559027778 0.114901711702126 0.886315966636877 1 1.04616856904227 0.0936419528971101 0.0401811525254951 -0.169762413030897 10.7133242961077 FALSE set7IT030 Doxycycline hyclate 0.008 mg/ml 27-Apr-17 Koxy_ML2_set7 353 3221552 124 3191334 3191189 3 723 692.532335069444 0.0562713136989525 1.12044402791069 1 1.04616856904227 0.141702991405378 0.154704296311188 -0.33968795208177 13.8640870528018 FALSE set7IT031 LB 27-Apr-17 Koxy_ML2_set7 354 2623256 2684 1641393 1636265 198 723 355.092230902778 0.0917432078495268 0.238038262210884 1.0643511693579 1.04616856904227 0.139222574824321 -0.0184259347246038 0.0545847666469056 1.34224257356078 FALSE set7IT032 Chloramphenicol 0.001 mg/ml 27-Apr-17 Koxy_ML2_set7 355 2205000 2456 1090514 1087029 113 723 235.900390625 0.0974437075863497 0.372695357782245 1.14771894016554 1.04616856904227 0.148177757637832 0.00595156977447819 0.0596784755229498 9.02618209957051 FALSE set7IT033 Chloramphenicol 0.01 mg/ml 27-Apr-17 Koxy_ML2_set7 356 1513719 273 62370 62190 3 723 13.49609375 0.0502196567902204 1.27187415336587 1 1.04616856904227 0.0637360389042565 0.0738888208365937 -0.120358746740495 7.68602311894453 FALSE set7IT034 Tetracycline 0.001 mg/ml 27-Apr-17 Koxy_ML2_set7 357 3059570 257 2569987 2569325 18 723 557.579210069444 0.035290979556451 0.825699706513499 1.32192809488736 1.04616856904227 0.103585206619767 0.0311394323818966 -0.145416198252376 13.2815242717464 FALSE set7IT035 Tetracycline 0.003 mg/ml 27-Apr-17 Koxy_ML2_set7 358 2599816 261 2567210 2567067 4 723 557.089192708333 0.0209521026813293 1.18416474921751 1 1.04616856904227 0.153863061160317 0.150900076202366 -0.328747210256679 14.1801651103731 FALSE set7IT036 Spectinomycin 0.03 mg/ml 27-Apr-17 Koxy_ML2_set7 359 2493626 325 1194362 1193432 35 723 258.991319444444 0.14071467046289 0.466687652528241 1.13918302979489 1.04616856904227 0.0632442154019504 0.00611702975785069 0.00890905099883743 13.4646488968873 FALSE set7IT037 Nalidixic 0.008 mg/ml 27-Apr-17 Koxy_ML2_set7 360 3407955 170 835585 835325 6 723 181.277126736111 0.0773978458019003 1.00971034947538 1 1.04616856904227 0.155223917475001 0.116170188620684 -0.235504658798277 15.0400331540675 FALSE set7IT038 Nalidixic 0.016 mg/ml 27-Apr-17 Koxy_ML2_set7 361 4042634 90 36908 36794 3 723 7.98480902777778 0.0702335543671311 1.17614352669867 1 1.04616856904227 0.12094707448534 -0.00656838681283636 -0.090624573885975 6.74404405313393 FALSE set7IT039 LB 27-Apr-17 Koxy_ML2_set7 362 2463960 2442 1545725 1540950 186 723 334.407552083333 0.0768948745396452 0.24370064919167 1.07712442613065 1.04616856904227 0.114262181446223 -0.0223929604540581 0.0537329686219216 1.82271967324903 FALSE set7IT040 Nickel (II) chloride 1 mM 27-Apr-17 Koxy_ML2_set7 363 1708291 9417 1065828 1062383 126 723 230.551866319444 0.0562726404119594 0.421612010723556 1.11970272280269 1.04616856904227 0.070458132501214 0.018979446524252 0.0327321223863851 3.21779607594857 FALSE set7IT041 Nickel (II) chloride 1.5 mM 27-Apr-17 Koxy_ML2_set7 364 2374769 4813 1550821 1546273 165 723 335.562717013889 0.220425483614567 0.23902530509969 1.09371839346982 1.04616856904227 0.164667474110723 -0.0443208929516179 0.0745026395101184 6.89637666247197 TRUE set7IT042 Cobalt chloride 0.5 mM 27-Apr-17 Koxy_ML2_set7 365 1761241 102680 1051855 1048820 96 723 227.608506944444 0.129958679856787 0.470544685865018 1.15158358338935 1.04616856904227 0.140977945835277 -0.0361786109881677 0.01734538000293 10.77678134724 TRUE set7IT043 copper (II) chloride 2 mM 27-Apr-17 Koxy_ML2_set7 366 2310220 1969 1448834 1444213 176 723 313.414279513889 0.0947632792014908 0.242661945178449 1.0911478880582 1.04616856904227 0.135999832299052 0.0313267766126227 0.0450983141406458 2.24115963848065 FALSE set7IT044 copper (II) chloride 3 mM 27-Apr-17 Koxy_ML2_set7 367 2378670 2421 1492026 1487100 180.5 723 322.721354166667 0.136836952318477 0.22391975773916 1.05580825312776 1.04616856904227 0.149552026008788 0.0352545308527119 0.03194829459245 1.45780098972217 TRUE set7IT045 copper (II) chloride 4 mM 27-Apr-17 Koxy_ML2_set7 368 1992566 866 1471689 1469737 44 723 318.953342013889 0.171931626733895 0.57816207679678 1.24818227153221 1.04616856904227 0.117672110456052 0.0487800252602538 -0.0440551630085 13.2048049148138 FALSE set7IT046 sodium fluoride 100 mM 27-Apr-17 Koxy_ML2_set7 369 2884878 356 1272239 1234992 24 723 268.010416666667 0.0829785460975303 0.507077115598376 1.17833724125851 1.04616856904227 -0.00460147794454175 -0.0132620260353585 -0.0547711093782347 12.8391651108315 FALSE set7IT047 sodium fluoride 200 mM 27-Apr-17 Koxy_ML2_set7 370 2376558 259 1014075 1013680 13 723 219.982638888889 0.0772157982095504 0.630348574691643 1.16992500144231 1.04616856904227 0.0952248701551307 0.0474740996198562 -0.141757231169509 12.1273262528036 FALSE set7IT048 Paraquat dichloride 0.1 mg/ml 27-Apr-17 Koxy_ML2_set7 371 1812875 1610 1481334 1479314 64 723 321.031684027778 0.172100821623022 0.340315972441677 1.13750352374993 1.04616856904227 0.14224841778904 0.0642321421045149 -0.0436695412774612 10.8600052781493 TRUE set7IT049 Paraquat dichloride 0.25 mg/ml 27-Apr-17 Koxy_ML2_set7 372 2573455 1055 2225856 2224333 59 723 482.711154513889 0.0624809323793657 0.526846234604929 1.23912639714125 1.04616856904227 0.0801846007395309 0.0319170394516696 -0.0405219958201579 10.2098242753378 FALSE set7IT050 Thallium(I) acetate 0.4 mg/ml 27-Apr-17 Koxy_ML2_set7 373 2570731 749 1786545 1785561 36 723 387.491536458333 0.0680430415960816 0.398927786438284 1.13750352374994 1.04616856904227 0.0972070474733573 0.0690438004361015 -0.0784885460992993 8.85080646477779 FALSE set7IT051 Thallium(I) acetate 0.6 mg/ml 27-Apr-17 Koxy_ML2_set7 374 2736656 526 2255480 2254333 28 723 489.221571180556 0.100195166749467 0.431353048566356 1.1309143215442 1.04616856904227 0.0702989682626616 0.0469413649570267 -0.133055478108913 5.5484752541208 FALSE set7IT052 Cisplatin 0.2 mg/ml 27-Apr-17 Koxy_ML2_set7 375 2289315 61 1391131 1391028 3 723 301.872395833333 0.230808708898082 0.843595228186226 1 1.04616856904227 0.141662575016825 0.128719393408257 -0.293456450011931 12.2597135935889 FALSE set7IT053 Zinc 2 mM 27-Apr-17 Koxy_ML2_set7 376 2347015 89 1469177 1468569 4 723 318.699869791667 0.210156562521135 0.780883360794253 1 1.04616856904227 0.159779430795667 0.126228605051014 -0.269164642827019 13.632083537779 FALSE set7IT054 LB 27-Apr-17 Koxy_ML2_set7 377 2605248 3763 1632720 1627702 201 723 353.233940972222 0.10154094339134 0.221273696730734 1.06795805463871 1.04616856904227 0.109650626215934 0.038736921243125 0.0952914794408131 1.19338042718602 TRUE set7IT055 nitrite 20 mM 27-Apr-17 Koxy_ML2_set7 378 2454954 1784 1543717 1539057 179 723 333.996744791667 0.108763964963373 0.254227150605037 1.09437718648056 1.04616856904227 0.151844916171293 0.00860463976717529 0.0656031212518686 1.40405165475885 TRUE set7IT056 nitrite 40 mM 27-Apr-17 Koxy_ML2_set7 379 2440157 3003 1529963 1525153 186 723 330.979383680556 0.14740566439007 0.232606773079756 1.06273575534796 1.04616856904227 0.169738403131454 0.0373660761455766 0.092629924533707 2.35560588863336 TRUE set7IT057 Sisomicin 0.008 mg/ml 27-Apr-17 Koxy_ML2_set7 380 1823229 234 1094924 1089311 116 723 236.395616319444 0.336195207388602 0.34717134924626 1.08246216019197 1.04616856904227 0.265148065651814 0.0691090795727652 0.103250538214086 7.38296746826256 TRUE set7IT058 Sisomicin 0.016 mg/ml 27-Apr-17 Koxy_ML2_set7 381 2291067 200 2050572 2043063 11 723 443.373046875 0.139952056678069 0.669968437678834 1.15200309344505 1.04616856904227 0.120725454197703 0.0996544521341958 -0.184553380551734 12.7884785130243 FALSE set7IT059 Chlorite 2.5 mM 27-Apr-17 Koxy_ML2_set7 382 2181982 726 1482198 1478859 79 723 320.932942708333 0.0895218330991874 0.34174764171558 1.15614957914371 1.04616856904227 0.125241721177928 0.0415638867220656 -0.0528336227828631 8.91076586405355 FALSE set7IT060 perchlorate 100 mM 27-Apr-17 Koxy_ML2_set7 383 2162523 895 1390691 1385897 140 723 300.758897569444 0.161517097520206 0.282440322116298 1.07528812730424 1.04616856904227 0.161130851318995 0.0159062332167595 0.0481425871404131 7.45971671997223 TRUE set7IT061 Polymyxin B sulfate 0.01 mg/ml 27-Apr-17 Koxy_ML2_set7 384 3426667 185 1377497 1377208 9 723 298.873263888889 0.0194553833703286 0.887575449700512 1.1205040497519 1.04616856904227 0.129578520850359 0.0785205961608054 -0.241651406215599 4.19032720758431 FALSE set7IT062 Chloride 1000 mM 27-Apr-17 Koxy_ML2_set7 385 2595440 1604 1642413 1636648 180.5 723 355.175347222222 0.149116355154182 0.235420740303738 1.07179068306801 1.04616856904227 0.20182427884398 -0.0457387546766438 0.0876395169288796 2.67443399715461 TRUE set7IT063 LB 27-Apr-17 Koxy_ML2_set7 386 2485504 2372 1557227 1552330 186 723 336.877170138889 0.0903107835049413 0.254698953853306 1.08923971339309 1.04616856904227 0.0209178746170302 -0.0222935466365909 0.0219315101995219 1.42873456341176 FALSE set7IT064 Benzethonium chloride 0.03 mM 27-Apr-17 Koxy_ML2_set7 387 2440537 98 1596341 1596108 4 723 346.377604166667 0.209881650489281 0.774753037106107 1 1.04616856904227 0.161355897480703 0.0892352688937232 -0.271576538515625 11.2427907937431 FALSE set7IT065 Phosphomycin 0.125 mg/ml 27-Apr-17 Koxy_ML2_set7 388 3150726 159 2074709 2069361 10 723 449.080078125 0.157160313751483 0.712571237190431 1.22239242133645 1.04616856904227 0.159450731197865 0.0856744117656543 -0.190840951763059 13.6093906106119 FALSE set7IT066 Phosphomycin 0.25 mg/ml 27-Apr-17 Koxy_ML2_set7 389 2167799 86 1701514 1678260 8 723 364.205729166667 0.14254578197437 0.722065215218649 1.11547721741994 1.04616856904227 0.151771767420393 0.0874845289114429 -0.22181907911076 12.5958920627021 FALSE set7IT067 Phosphomycin 0.5 mg/ml 27-Apr-17 Koxy_ML2_set7 390 2535207 109 1046745 990168 7 723 214.880208333333 0.185557317080229 0.670507549726883 1.06413033741972 1.04616856904227 0.13271586440686 0.0893999871304935 -0.188232529569337 12.14085658804 FALSE set7IT068 Fusidic 0.5 mg/ml 27-Apr-17 Koxy_ML2_set7 391 2275902 2091 1391667 1387501 164 723 301.106987847222 0.16607533019179 0.207835088751248 1.05889368905357 1.04616856904227 0.12558633143011 0.0903929939953685 0.113114948892841 4.11670056894055 TRUE set7IT069 Fusidic 1 mg/ml 27-Apr-17 Koxy_ML2_set7 392 2473079 2019 1684990 1680848 166 723 364.767361111111 0.14508361059491 0.243015711073129 1.08327862174394 1.04616856904227 0.134480641745097 0.0808852978382603 0.0232287168521831 2.11833358126664 TRUE set7IT070 Dimethyl Sulfoxide 10 vol% 27-Apr-17 Koxy_ML2_set7 393 2217223 584 1399430 1395149 161 723 302.766710069444 0.0754534795029701 0.287232044942708 1.0703893278914 1.04616856904227 0.0323774210905694 0.000559790301558903 0.0554878971714115 1.60883702582469 FALSE set7IT071 LB 27-Apr-17 Koxy_ML2_set7 394 2544290 2937 1592138 1587084 191 723 344.419270833333 0.118150073783238 0.243470505366238 1.0703893278914 1.04616856904227 0.0909794371985986 0.00762371674427507 0.0226132679777175 2.22329783694673 TRUE set7IT072 Vancomycin 1 mg/ml 27-Apr-17 Koxy_ML2_set7 395 2591887 115 1651360 1651181 5 723 358.329210069444 0.128388468349745 0.82796741049745 1 1.04616856904227 0.133878570005767 0.118881465501623 -0.291657254826593 15.1607528103153 FALSE set7IT073 Cephalothin 0.16 mg/ml 27-Apr-17 Koxy_ML2_set7 396 2470308 2303 1551259 1545902 189 723 335.482204861111 0.249681907862201 0.24542717198067 1.08496250072116 1.04616856904227 0.178967065867496 0.0341415392689728 0.0272785926314522 3.0138061490314 TRUE set7IT074 A22 0.1 mg/ml 27-Apr-17 Koxy_ML2_set7 397 2513399 1157 1574050 1568425 188 723 340.370008680556 0.124353005556547 0.232409410352937 1.03616784404362 1.04616856904227 0.100532970406721 0.0807525381086861 -0.0492830836377581 1.78105496060519 TRUE set7IT075 Lomefloxacin 0.004 mM 27-Apr-17 Koxy_ML2_set7 398 3259250 120 49931 49789 4 723 10.8049045138889 0.0200676764682277 1.13045839560789 1 1.04616856904227 0.0750642813964751 0.00768066747539162 -0.0436996290989297 6.4433465396368 FALSE set7IT076 D-Cycloserine 0.5 mg/ml 27-Apr-17 Koxy_ML2_set7 399 3053598 113 2532408 2532216 5 723 549.526041666667 0.0929189614246097 0.969840891378132 1.11547721741994 1.04616856904227 0.173858423588514 0.124402277735991 -0.269561584164348 12.7675105415354 FALSE set7IT077 Doxycycline hyclate 0.008 mg/ml 27-Apr-17 Koxy_ML2_set7 400 3559802 157 3533041 3532895 4 723 766.687282986111 0.0168216939221204 1.16673443109842 1 1.04616856904227 0.15184126217905 0.155908922380128 -0.344518226017648 14.4249343739673 FALSE set7IT078 LB 27-Apr-17 Koxy_ML2_set7 401 2440543 2206 1529429 1524584 184 723 330.855902777778 0.111633576468167 0.253224896864684 1.07167197204652 1.04616856904227 0.0800079878933343 0.0262631870663871 0.065336844506907 2.14053258731409 TRUE set7IT079 Time0 27-Apr-17 Koxy_ML2_set7 402 2411015 4387 1514189 1509579 178 545 327.599609375 -0.0153547825697967 0.237798009038154 1.04673794810564 1.05227299092523 0.0023237615473473 0.00963494702669884 -0.0366449934888764 1.48318083431029 FALSE set7IT080 Time0 27-Apr-17 Koxy_ML2_set7 403 2406154 3942 1511531 1507071 177 546 327.055338541667 0.0111317702685128 0.227512662626973 1.0877968757645 1.03668132210274 0.0229946271386189 -0.00772589616416639 -0.0210554277734884 1.30353631012413 FALSE set7IT081 Time0 27-Apr-17 Koxy_ML2_set7 404 2432385 3663 1528677 1524082 181 541 330.746961805556 -0.0155984843620351 0.230001126570463 1.04283723264203 1.03846275963805 0.0205102862910954 0.0341206816552348 0.0175367738789248 1.10468683326176 FALSE set7IT082 Time0 27-Apr-17 Koxy_ML2_set7 405 2517849 3936 1580732 1576265 187 535 342.071397569444 0.00263923616857987 0.219731991023343 1.04743569901521 1.04413154482167 -0.0240622301542685 -0.00608834605332898 -0.00591370540871534 1.35962805022948 FALSE set7IT083 LB, pH5 27-Apr-17 Koxy_ML2_set7 406 1764864 3093 1106072 1102672 135 723 239.295138888889 0.105678328335798 0.239135298939943 1.07648608386651 1.04616856904227 0.0711048679749298 -0.00470887356022678 0.0797403715951237 2.20028115778445 TRUE set7IT084 LB, pH5 27-Apr-17 Koxy_ML2_set7 407 2575075 5113 1614088 1609119 200 723 349.201171875 0.0989086661402243 0.240512328350834 1.07947694181065 1.04616856904227 0.085013068936015 0.061668743270569 0.0543796325344922 2.41834302873235 FALSE set7IT085 LB, pH6 27-Apr-17 Koxy_ML2_set7 408 2310544 2641 1450380 1445805 180 723 313.759765625 0.0615692716204971 0.235109663143011 1.07280597384843 1.04616856904227 0.0707045647685573 0.0055517237535074 0.103057040013947 1.46599322448114 FALSE set7IT086 LB, pH6 27-Apr-17 Koxy_ML2_set7 409 2243128 4281 1404425 1399936 174 723 303.805555555556 0.0599531631840714 0.286997366221013 1.09457408767475 1.04616856904227 0.0886422003384314 -0.0123624300025723 0.0936260512485656 2.38987246988692 FALSE set7IT087 LB, pH7 27-Apr-17 Koxy_ML2_set7 410 2228210 2792 1399329 1394823 174 723 302.695963541667 0.0667430286884121 0.241944219986841 1.07354452946807 1.04616856904227 0.0353600367312093 -0.0657293377511714 0.0926591991401507 1.19734869104438 FALSE set7IT088 LB, pH7 27-Apr-17 Koxy_ML2_set7 411 1701429 6137 1062996 1059224 130 723 229.866319444444 0.040852499958786 0.45047742236046 1.15754127698648 1.04616856904227 0.0282424890743387 0.00127671486512674 0.026343611867516 3.49270378436788 FALSE set7IT089 LB, pH8 27-Apr-17 Koxy_ML2_set7 412 2293374 2534 1438145 1433686 178 723 311.129774305556 0.130750603740971 0.220690697200763 1.07933008767325 1.04616856904227 0.117916225519048 0.00527498850431218 0.109180392059178 1.35689248673282 TRUE set7IT090 LB, pH8 27-Apr-17 Koxy_ML2_set7 413 2303702 2424 1442773 1438202 179.5 723 312.109809027778 0.0786201290564352 0.235284176092727 1.06920767373516 1.04616856904227 0.0920272833699181 -0.0313454450030467 0.0962907659885679 1.46274547536083 FALSE set7IT091 LB, pH9 27-Apr-17 Koxy_ML2_set7 414 2057423 6239 1289150 1285105 160 723 278.885633680556 0.0537765642703954 0.447351248521226 1.12114237904816 1.04616856904227 0.0282721415569765 -0.00566356866500059 0.0455672377797731 2.44443904495625 FALSE set7IT092 LB, pH9 27-Apr-17 Koxy_ML2_set7 415 2224298 2306 1391697 1387343 172 723 301.072699652778 0.114910731298955 0.238893567960026 1.05719398994462 1.04616856904227 0.0952833643841265 -0.00721310707574426 0.0921799627796603 1.25440166027252 TRUE set7IT093 LB, pH10 27-Apr-17 Koxy_ML2_set7 416 1806120 2110 1133998 1130321 135 723 245.295355902778 0.0670161479480248 0.481738451266604 1.13750352374994 1.04616856904227 0.0420751104481591 0.00272456705167216 0.0206432408206858 2.26016051770733 FALSE set7IT094 LB, pH10 27-Apr-17 Koxy_ML2_set7 417 2168620 1240 1362274 1358070 166 723 294.720052083333 0.117495624037607 0.237070340892231 1.05889368905357 1.04616856904227 0.154766959590624 -0.044653714700753 0.0411570711636899 1.09314183650708 TRUE