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comparison test-data/TEST0000_database.tsv @ 2:caba07f41453 draft default tip

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"planemo upload for repository https://github.com/secimTools/SECIMTools/tree/main/galaxy commit 498abad641099412df56f04ff6e144e4193bbc34-dirty"
author malex
date Thu, 10 Jun 2021 15:41:17 +0000
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1:2e7d47c0b027 2:caba07f41453
1 name_database MZ_database RT_database
2 Compound_3948 474.34177505172 11.5013182692308
3 Compound_6473 553.540134305901 14.5033100961538
4 Compound_7091 552.497041311477 15.3103211538462
5 Compound_687 396.275429929638 8.14684919871795
6 Compound_656 801.684653365393 10.7247125
7 Compound_2345 579.529377627401 8.58513173076923
8 Compound_2567 884.770621777999 14.3501637820513
9 Compound_5830 520.335947698499 14.6302272435897
10 Compound_1795 419.313473829888 15.4371213141026
11 Compound_4288 456.368421006883 14.8533084935897
12 Compound_6946 402.285693787704 15.3965975961539
13 Compound_6271 565.425459008454 14.5645245192308
14 Compound_2379 339.288988117623 10.6291494680851
15 Compound_7332 542.477921265082 15.349884775641
16 Compound_7085 751.565610440533 8.16037580128205
17 Compound_2704 526.409633216596 14.9473092948718
18 Compound_6575 638.607864779506 16.9688149038462
19 Compound_4422 402.320721817028 15.8409314102564
20 Compound_2079 474.307480729756 14.0513241987179
21 Compound_5066 678.681753945463 14.4112466346154
22 Compound_7722 781.554996826918 6.16509198717949
23 Compound_6649 760.590433524772 12.9834314102564
24 Compound_5702 420.279904627949 12.8762961538462
25 Compound_7096 568.340255354207 15.358191025641
26 Compound_5821 313.237366646553 15.4516522435897
27 Compound_7288 563.418137234424 8.21944873188406
28 Compound_4946 592.565737323668 7.7387009057971
29 Compound_7291 678.480091676829 14.4956145833333
30 Compound_3836 952.833974009525 7.44174385113268
31 Compound_845 925.760925861149 14.7355528846154
32 Compound_2529 376.305309013346 15.0502243589744
33 Compound_2924 390.285473286131 14.7136825320513
34 Compound_3942 440.409595096481 6.17663301282051
35 Compound_5745 521.307476501439 14.2402915064103
36 Compound_3996 530.405832613672 10.5663307692308
37 Compound_7376 648.431396790753 14.4031434294872
38 Compound_5166 517.39403744839 13.7555222222222
39 Compound_1719 745.592764531373 11.6712634615385
40 Compound_6573 301.140549431754 13.289673297491
41 Compound_7210 672.539263410581 7.65631701754386
42 Compound_6925 432.278989966505 14.524999198718
43 Compound_4692 810.555141851323 14.5713806089744
44 Compound_3813 898.730234321288 15.8077863782051
45 Compound_4806 678.682660936863 6.08089679487179
46 Compound_690 375.251391658581 14.8833086538462
47 Compound_3126 580.56764312863 15.0969216346154
48 Compound_1659 968.865979184356 8.85897211538462
49 Compound_5549 837.612441816126 8.13730769230769
50 Compound_394 604.402629077093 15.171505448718
51 Compound_4223 593.681189201584 11.1656012820513
52 Compound_962 921.730860982302 0.317301442307692
53 Compound_4315 751.566231115217 15.2276796474359
54 Compound_3208 419.276005702889 6.95432147435898
55 Compound_235 500.322196682375 8.24477708333333
56 Compound_906 664.456899955589 15.3474844551282
57 Compound_1952 604.444572275331 13.8115471153846
58 Compound_3721 554.515164822176 15.0354873397436
59 Compound_2341 487.382507273894 15.1882674679487
60 Compound_6921 496.473225281479 14.0093577060932
61 Compound_3433 560.381784959997 15.1447182692308
62 Compound_3158 636.457208937872 13.3626883895131
63 Compound_2739 729.661778735918 15.5010006097561
64 Compound_403 974.914859992786 8.18256282051282
65 Compound_6202 492.885477658535 15.3096389423077
66 Compound_2887 968.763727089684 14.5651943910256
67 Compound_7165 428.337249695721 13.5980190217391
68 Compound_255 666.643131572514 14.8877411858974
69 Compound_3376 358.367879709054 15.3918854166667
70 Compound_409 429.303199929256 7.05460881410256
71 Compound_4097 893.694256543545 14.8691589605735
72 Compound_2468 356.910218993185 15.4297424679487
73 Compound_5913 637.507162708473 14.4341565705128
74 Compound_4583 510.412669277672 13.774461827957
75 Compound_6515 591.427278295788 15.2533296474359
76 Compound_4711 371.073059519328 14.6305145833333
77 Compound_4660 811.563154439861 15.0338200320513
78 Compound_7317 874.789753302544 8.18193799283154
79 Compound_1009 524.467385049457 14.7315317307692
80 Compound_5078 397.29540906034 15.9235935897436
81 Compound_6633 958.877442168408 15.4055668269231
82 Compound_7218 610.580360918573 5.60601848184818
83 Compound_2029 458.312481602527 14.6784
84 Compound_2401 462.363690375142 14.592521474359
85 Compound_7470 528.462374893229 14.4179666666667
86 Compound_1467 624.553692292339 8.73212928802589
87 Compound_6774 397.329844255594 6.09843958333333
88 Compound_2595 931.774664308677 14.5766733974359
89 Compound_2065 752.076738667415 14.7640052884615
90 Compound_2834 484.364606602711 15.3487772435897
91 Compound_795 540.462219742529 14.7308713261649
92 Compound_751 663.453431908684 7.04425817307692
93 Compound_6588 784.724884172743 14.9949104166667
94 Compound_6847 580.528367730808 0.312379326923077
95 Compound_6127 624.593229556429 15.8168007017544
96 Compound_5675 382.403788591276 14.9143200716846
97 Compound_7726 460.325742353102 1.70127756410256
98 Compound_3503 909.781886864895 14.63403125
99 Compound_1268 1006.87907300723 7.10970769230769
100 Compound_4634 537.397127479561 15.9203828525641
101 Compound_5539 877.719783925884 14.9734302867384
102 Compound_7147 512.431075039192 13.8698447115385
103 Compound_4162 454.390596034588 14.8036021666667
104 Compound_992 607.562803215015 11.3594229166667
105 Compound_1220 940.828062142965 11.7054894230769
106 Compound_4325 429.340762231628 7.48731538461539
107 Compound_4967 556.454386319326 8.22974426523298
108 Compound_457 516.390860605685 14.5465873397436
109 Compound_6687 963.829788536963 14.4783102564103
110 Compound_5625 540.464452056676 14.3231155448718
111 Compound_1971 590.4251421313 15.4994383012821
112 Compound_5339 335.221045859915 14.642263301282
113 Compound_4337 566.513539349762 7.33260112179487
114 Compound_2744 623.455036361741 15.355561698718
115 Compound_4907 424.361803131467 7.82238333333333
116 Compound_1368 701.629036745494 15.0840009615385
117 Compound_7295 651.650913357777 14.6755871794872
118 Compound_6451 939.676820914517 6.26548745519713
119 Compound_4504 608.524763070016 14.3819215789474
120 Compound_264 908.76636102719 6.98703621794872
121 Compound_4212 339.289041063872 16.8433923076923
122 Compound_1490 793.786491029792 14.3749636842105
123 Compound_7539 678.48278481437 8.4778592948718
124 Compound_3739 502.341952716601 9.66276379928316
125 Compound_6648 594.581630557825 15.2941254807692
126 Compound_5247 730.539803858128 14.6108559294872
127 Compound_698 472.328410542562 8.317579
128 Compound_5744 311.294657834266 15.0666456730769
129 Compound_4135 850.784428666548 0.325913782051282
130 Compound_2073 767.537582574355 11.3844576923077
131 Compound_3636 651.496638367557 15.4115070512821
132 Compound_72 931.764472905056 13.8926974358974
133 Compound_2933 469.406392054533 8.15267115384615
134 Compound_7636 377.267760418112 9.33530064102564
135 Compound_5725 652.628772743307 8.33232019230769
136 Compound_5892 384.346852789078 15.3013822115385
137 Compound_7567 1054.29272196262 9.18386987179487
138 Compound_7547 892.828296897292 16.1089150641026
139 Compound_1433 612.51754687702 15.4271517628205
140 Compound_1522 807.574062582664 12.8307623397436
141 Compound_1259 834.790946284 7.81014121863799
142 Compound_6019 540.464549345462 14.3813675531915
143 Compound_1533 512.4300752162 1.84025480769231
144 Compound_5341 583.550967471466 14.4932833333333
145 Compound_317 496.399397012759 15.0007453525641
146 Compound_6640 1069.3062923959 0.995742156862745
147 Compound_1579 590.42441068833 6.24076842948718
148 Compound_2369 853.808935152697 16.8599293269231
149 Compound_2573 664.65841369433 14.3087254807692
150 Compound_3861 928.830776353909 14.633575
151 Compound_3595 376.305076456451 14.3393620071685
152 Compound_844 339.289168293417 14.5017932692308
153 Compound_453 934.779232009462 1.83660314814815
154 Compound_6415 368.424714105819 6.84014278846154
155 Compound_7018 386.290082379345 3.86480729166667
156 Compound_4877 604.402745744707 14.870033974359
157 Compound_1186 419.278400421143 14.6123591346154
158 Compound_4611 486.348458067756 15.1748793269231
159 Compound_4064 486.37999570674 9.86207243589743
160 Compound_6527 341.397923796191 7.81061039426524
161 Compound_4700 480.551224108912 14.8230840277778
162 Compound_1052 804.62308962067 14.6281532051282
163 Compound_1242 402.286299599592 15.1354489473684
164 Compound_7137 428.337531163232 14.355675801282
165 Compound_1282 430.388601408296 15.3335826923077
166 Compound_1360 700.230684367589 15.3089666666667
167 Compound_3165 568.492696310377 6.98827934027778
168 Compound_5193 592.429444985149 13.8474746794872
169 Compound_5086 500.322021713822 15.9691633012821
170 Compound_7133 316.21109500213 11.3010575438596
171 Compound_2308 330.227541418225 5.23919583333334
172 Compound_250 486.347743224948 15.2036897435897
173 Compound_2830 465.431488722522 14.9358251602564
174 Compound_746 398.762049171863 15.5997939102564
175 Compound_3201 1013.22530247615 9.74388733974359
176 Compound_4754 400.306215342063 8.08098152173913
177 Compound_7062 568.49204799523 7.68258405017921
178 Compound_5883 486.34843225366 14.3785037634409
179 Compound_6967 482.347512413347 15.2569286858974
180 Compound_5721 440.301686547108 14.3528419871795
181 Compound_5964 356.910231482681 7.76980483870968
182 Compound_3604 582.509777173117 7.64186329787234
183 Compound_6097 949.799887210908 14.291910106383
184 Compound_2306 425.216023111591 14.9169995192308
185 Compound_5909 440.374540907283 14.4941168269231
186 Compound_5360 578.522954711327 14.9044145614035
187 Compound_7472 444.332241713848 14.0495681089744
188 Compound_6559 500.285267186499 15.3537182692308
189 Compound_7761 880.747502926663 15.3568469551282
190 Compound_4859 526.446773124964 15.407866025641
191 Compound_2731 510.452486371895 15.2847177884615
192 Compound_3580 935.880673278314 0.323157211538461
193 Compound_7030 663.450876107223 14.3276475961538
194 Compound_2950 811.608554298454 15.9936003205128
195 Compound_738 484.327227655431 7.58092916666667
196 Compound_4160 570.472000691008 13.5371025089606
197 Compound_6002 631.465030395175 15.3416709935897
198 Compound_915 778.898289508287 7.07694407051282
199 Compound_4030 498.416386476324 15.2364820512821
200 Compound_3530 426.322448659171 14.3793325320513
201 Compound_4598 594.507250686766 14.9209014423077
202 Compound_281 936.800674728745 1.3128328525641
203 Compound_3324 930.849629373302 8.14239118589744
204 Compound_3212 447.345948829638 15.4277647435897
205 Compound_1956 532.384700609744 13.7582308823529
206 Compound_4421 743.539397934971 15.605211698718
207 Compound_4088 663.456406291346 14.3554900641026
208 Compound_3614 496.399374542263 8.4315646953405
209 Compound_2051 944.71319631304 13.6270867383513
210 Compound_7538 666.686241443341 4.95702387820513
211 Compound_282 590.427058831439 14.3013858974359
212 Compound_3438 819.572272514744 13.8115171985816
213 Compound_7682 881.742633460447 15.0755298076923
214 Compound_4737 474.307420438684 8.12683557692308
215 Compound_1083 874.964199363514 0.865827884615385
216 Compound_7308 768.538746968299 15.1754881410256
217 Compound_931 841.704117987619 6.16528653846154
218 Compound_3547 449.28918469097 5.69411330128205
219 Compound_7183 894.84761659152 15.1688483974359
220 Compound_3109 862.780264382936 7.08811009615385
221 Compound_5559 447.345849461478 6.37945368589744
222 Compound_3849 304.299908550632 6.09157115384615
223 Compound_2371 636.632772592398 15.5244570512821
224 Compound_2947 356.243822158797 14.1253517628205
225 Compound_4426 371.297678469457 15.9236136217949
226 Compound_4193 824.76974079343 6.88802628205128
227 Compound_4829 482.348964670812 15.0869400641026
228 Compound_1546 811.564504982273 8.07806778846154
229 Compound_556 664.658288650568 15.4327645833333
230 Compound_3743 665.009594004031 7.51933269230769
231 Compound_3909 550.629258966238 15.1147793269231
232 Compound_5391 779.591018421923 15.3620727564103
233 Compound_501 629.551646388743 14.5231060897436
234 Compound_3584 579.530857436088 14.3414674679487
235 Compound_3741 458.382329026107 14.8958868589744
236 Compound_952 332.331106897899 13.885134751773
237 Compound_1350 370.295219544448 8.06369201388889
238 Compound_5850 610.538684144735 14.2707230496454
239 Compound_6388 867.738587801547 15.4582094551282
240 Compound_4363 993.866581330032 15.0834504807692
241 Compound_3627 811.665820378667 15.1744721153846
242 Compound_3040 312.326076072506 14.2994831730769
243 Compound_3186 524.431798097321 6.61686105769231
244 Compound_5867 967.708558995773 12.6267676282051
245 Compound_5769 408.368682894871 14.8656459935897
246 Compound_4225 479.392953364842 8.01437275641026
247 Compound_1296 442.281494081362 15.1371544871795
248 Compound_3117 766.530899204187 5.85776858974359
249 Compound_1035 912.798688011425 14.2978376736111
250 Compound_7222 457.371642471662 7.62639182692308
251 Compound_7734 546.401791500912 14.7684059294872
252 Compound_5833 485.112157078262 14.3158580128205
253 Compound_6053 680.482157999993 14.3768644230769
254 Compound_6254 560.417212318977 14.6430447115385
255 Compound_5535 399.252100567391 8.13774134615385
256 Compound_2046 484.436995666198 15.5367549679487
257 Compound_757 432.279283141441 14.0229261437908
258 Compound_1053 992.962116930499 5.54087163461539
259 Compound_3664 723.506693639895 6.77957451923077
260 Compound_693 975.73482588034 0.382858493589744
261 Compound_726 610.577845652481 15.1910761217949
262 Compound_6569 582.471224502464 14.451325
263 Compound_6356 360.238161689328 15.3595270833333
264 Compound_4762 724.508903772268 14.3781955128205
265 Compound_5807 635.451863437037 7.67129964157706
266 Compound_7704 700.62816652844 15.3147495192308
267 Compound_6811 528.42511581859 14.9937407051282
268 Compound_1766 526.482884458473 6.43305592948718
269 Compound_4809 510.45451199852 8.96902628205128
270 Compound_4894 634.45126820127 14.5800842293907
271 Compound_532 901.988913866581 14.7296955128205
272 Compound_5837 460.35762886708 15.4157669871795
273 Compound_1562 1015.05497496083 7.48587467948718
274 Compound_3810 356.351055830231 7.14869583333333
275 Compound_5402 430.38702063142 14.5099326923077
276 Compound_7382 412.269996946996 14.5613996794872
277 Compound_2174 414.357374191646 14.0658315705128
278 Compound_6944 398.254330957414 14.0955431089744
279 Compound_1195 568.493194884035 14.4664424679487
280 Compound_817 934.87065728939 8.1558844551282
281 Compound_7369 744.549485156786 9.46824551282051
282 Compound_7747 707.492938406287 14.496634775641
283 Compound_2707 1014.23507702343 15.4161449122807
284 Compound_7647 666.643229457035 15.5046766025641
285 Compound_1138 736.549605565255 15.8426201923077
286 Compound_4010 810.55377131921 14.5113677884615
287 Compound_579 720.731724263559 15.1042987972509
288 Compound_3416 613.483130439402 15.5366860576923
289 Compound_2054 612.55657880989 7.44674357638889
290 Compound_3195 892.819834210932 14.0659198924731
291 Compound_4026 550.520320522024 15.186236698718
292 Compound_6787 328.248549951942 14.4562684294872
293 Compound_6670 464.308033887089 9.86587179487179
294 Compound_5820 964.929635111467 6.65432524752475
295 Compound_2532 372.239154945516 10.2488807692308
296 Compound_5963 545.420301381414 12.78713125
297 Compound_1191 526.40942021193 14.920397275641
298 Compound_1711 930.764443137429 14.6325375
299 Compound_6239 335.221322471381 15.674196474359
300 Compound_3066 766.532756721329 14.9850294871795
301 Compound_4464 432.280454135868 15.5644738782051
302 Compound_5588 552.533705729944 15.1198475961538
303 Compound_1076 355.286568495031 4.85581810897436
304 Compound_7510 485.364540876587 14.3751034050179
305 Compound_2297 485.403820354215 5.94024022435898
306 Compound_1400 582.546891211519 14.6875488782051
307 Compound_473 458.313105829415 14.4624293269231
308 Compound_2815 560.380563602309 12.9302225961538
309 Compound_2186 550.627718832989 13.399235125448
310 Compound_1713 554.478917257324 14.170266025641
311 Compound_2956 335.221167529573 15.0399352564103
312 Compound_3796 678.681250779418 14.8641298076923
313 Compound_411 485.440078533371 8.25984086538462
314 Compound_5884 582.470108391165 15.8955703525641
315 Compound_318 663.456292283448 7.89462795698925
316 Compound_4475 880.820644375282 14.7402335051546
317 Compound_5281 631.340689117898 14.7028453525641
318 Compound_3603 1056.29291441429 15.1293371794872
319 Compound_7134 478.323284824845 14.1561532051282
320 Compound_4441 456.296076055921 14.2783453525641
321 Compound_378 923.777329414963 14.5549764423077
322 Compound_1991 940.830066397805 15.47125
323 Compound_5606 766.520741652469 14.6962751602564
324 Compound_919 386.326369664422 15.7678772435898
325 Compound_5390 614.496178857627 14.3639063670412
326 Compound_5519 374.253929679996 15.9440059294872
327 Compound_4944 433.292523325604 15.2717416666667
328 Compound_5786 356.315466678397 15.1127565705128
329 Compound_2321 304.299727606062 15.1315349358974
330 Compound_73 374.289655857002 6.61844903846154
331 Compound_743 968.764142982242 14.833219551282
332 Compound_5987 498.309751256018 14.5689998397436
333 Compound_4309 589.445393388859 13.2541630824373
334 Compound_6006 483.334556688211 14.3027054487179
335 Compound_4449 962.814052577912 14.5556682692308
336 Compound_6590 932.866847909371 15.9713525641026
337 Compound_6999 986.273806679272 15.1860447115385
338 Compound_4037 540.499507950784 14.6972930851064
339 Compound_1067 414.321194028186 14.3817269230769
340 Compound_1792 560.414756985354 6.53590897435897
341 Compound_3134 510.45279588995 7.68416618589744
342 Compound_6050 337.236869945658 16.4183110576923
343 Compound_7786 482.339278078296 15.4337333333333
344 Compound_3657 526.409627516572 14.6904139423077
345 Compound_1541 540.46215025763 15.42519375
346 Compound_3154 722.501284564442 15.8898171521036
347 Compound_5640 500.431065655662 15.2960068910256
348 Compound_3118 665.465556254734 14.1790206730769
349 Compound_117 567.426556876128 8.63968782051282
350 Compound_1112 596.60773917251 8.1347421474359
351 Compound_6708 304.299276065654 16.93655
352 Compound_2134 402.249231189374 9.17966634615385
353 Compound_1339 880.981765783633 8.13825256410257
354 Compound_2165 716.568826165716 14.89017
355 Compound_4011 500.394758434771 15.2466798076923
356 Compound_2920 767.530631925515 6.26353365384615
357 Compound_5881 487.388055995152 8.05609600694445
358 Compound_6896 563.347952361271 14.717910877193
359 Compound_5543 524.505479349126 14.5491431089744
360 Compound_971 370.259551582392 14.224151618123
361 Compound_1530 302.195913586799 4.17099695512821
362 Compound_68 337.2355843717 8.32969919871795
363 Compound_2734 333.300808694323 14.8742176282051
364 Compound_458 971.878276044926 16.3534326923077
365 Compound_6299 311.18456759359 15.0695362179487
366 Compound_2465 675.517362404342 14.0170524038461
367 Compound_5946 470.311187803911 14.5406591346154
368 Compound_4956 877.718102601998 15.435234775641
369 Compound_3357 382.260351719606 4.92887772435897
370 Compound_873 517.354064057628 14.2209862007168
371 Compound_3944 420.279791501404 6.97016506410257
372 Compound_5614 972.893740946789 8.2323375
373 Compound_3554 784.587864451968 14.0003618589744
374 Compound_484 1001.0656885732 14.5161572115385
375 Compound_4043 442.35493693113 13.8868842105263
376 Compound_4049 485.439492310888 1.87783942307692
377 Compound_76 560.414754670292 9.38129867724868
378 Compound_7646 855.955590156866 13.4719176282051
379 Compound_478 680.482226332806 0.353110897435898
380 Compound_7696 951.817690889661 14.3682424679487
381 Compound_2342 414.248008393402 13.2975283154122
382 Compound_4454 962.81474775426 14.2504463141026
383 Compound_3597 339.253391925891 14.2484078525641
384 Compound_545 720.730374566245 14.4690592948718
385 Compound_1688 771.64911465242 14.9076129807692
386 Compound_3239 683.597687693835 7.81083799283154
387 Compound_4159 867.667684257773 16.1689008012821
388 Compound_4916 442.38864406691 8.53821137820513
389 Compound_6154 300.201541432343 14.2800256535948
390 Compound_2870 791.690772876374 14.8705676282051
391 Compound_4378 396.274939236123 6.59760592948718
392 Compound_2883 514.373291507642 7.87881778846154
393 Compound_4186 788.606872018879 14.956197275641
394 Compound_3028 636.455584094979 13.3360559294872
395 Compound_3606 912.797459270036 15.1113799679487
396 Compound_2716 735.577642174347 14.8217466329966
397 Compound_4409 892.739013970505 8.27696458333334
398 Compound_3894 926.725367308678 14.9984724358974
399 Compound_2125 955.75900593005 13.3326073476703
400 Compound_7236 568.421376626486 1.83380752688172
401 Compound_5990 304.89401456299 14.7245252631579
402 Compound_3908 672.538423199832 14.8087658653846
403 Compound_5187 663.451317632826 8.07821358695652
404 Compound_4794 983.88094911774 13.3422522653722
405 Compound_1075 1069.34321937894 15.4641209935897
406 Compound_3577 487.383406776565 15.2768290064103
407 Compound_6477 498.452271333843 14.9591598705502
408 Compound_4176 594.582031424814 14.0518706730769
409 Compound_5130 543.479274870034 15.3596891025641
410 Compound_4952 590.425744767779 14.7232551666667
411 Compound_4699 723.558511273283 14.9661110576923
412 Compound_7248 990.842679451564 13.5236024038462
413 Compound_2530 428.337076153221 15.1020067010309
414 Compound_6806 629.215269226359 14.5994963141026
415 Compound_5958 570.472329364991 8.16928189102564
416 Compound_174 788.512005041935 14.9975145833333
417 Compound_7347 875.790479897783 9.48213301282052
418 Compound_2076 560.415037575015 15.083647275641
419 Compound_7628 428.26598674891 15.2602810897436
420 Compound_7196 399.253048850716 9.17445496031746
421 Compound_3628 458.313091737576 16.2502555555556
422 Compound_3859 427.397687570494 16.4123658653846
423 Compound_1527 402.285660447325 15.4864120192308
424 Compound_6257 894.706918151266 14.7497205128205
425 Compound_6836 330.227551856262 13.5405078525641
426 Compound_1882 441.375384238138 14.5360455197133
427 Compound_4282 652.66832982261 14.9431168269231
428 Compound_3087 916.82861944312 8.42259182692308
429 Compound_3274 591.427184558415 8.13974487179487
430 Compound_5622 604.402533646885 14.6870506410256
431 Compound_2423 652.629365372673 16.238855448718
432 Compound_3535 398.291532415661 16.0114466346154
433 Compound_6666 397.29555523334 15.0662455128205
434 Compound_4520 468.404525496958 5.45913076923077
435 Compound_2489 307.190230670185 13.5276990384615
436 Compound_2760 375.252044197263 5.3203092948718
437 Compound_2447 366.264291174 16.6986474358974
438 Compound_1556 388.232550861262 5.42511041666667
439 Compound_3413 520.333290156166 12.8845713141026
440 Compound_2128 508.471082411819 14.1584435897436
441 Compound_5257 561.417027598856 16.1388442307692
442 Compound_1806 525.470938988951 14.4368591346154
443 Compound_6399 651.567684967259 14.4839016025641
444 Compound_3220 561.417759706578 9.23968894230769
445 Compound_6956 768.711238749948 5.59180144230769
446 Compound_1003 384.238938525431 7.51402259615384
447 Compound_4113 415.32524667212 3.31024983974359
448 Compound_2957 514.373864400851 8.06503477564103
449 Compound_1189 598.465252856105 16.0238959935897
450 Compound_7413 550.520184108742 14.8203136217949
451 Compound_3149 771.71253140924 4.88098541666667
452 Compound_4678 609.561662839265 13.5641664983165
453 Compound_6860 831.572610240603 15.1546451923077
454 Compound_3245 502.407886938186 14.454690877193
455 Compound_3340 984.823541610249 15.1914943910256
456 Compound_1535 547.406000702895 15.5465206730769
457 Compound_1988 752.409556933756 14.4401443910256
458 Compound_1776 542.368825620545 15.1681638888889
459 Compound_4110 799.549954613774 14.857552724359
460 Compound_1257 566.477209572383 16.3482544871795
461 Compound_7015 370.330732373292 14.3272264423077
462 Compound_6843 388.232513423738 6.91154663461539
463 Compound_2863 510.450823362062 16.1197376237624
464 Compound_6728 610.537686165535 9.77793798076923
465 Compound_503 552.533463306078 14.9019041666667
466 Compound_7099 767.532316451819 16.1508384615385
467 Compound_822 1025.93047759485 14.7044086538462
468 Compound_1657 723.143645380073 0.31299983974359
469 Compound_760 802.799116614287 8.14438509615385
470 Compound_4404 548.406280624742 6.02940753205128
471 Compound_5842 551.355066783672 14.4230103559871
472 Compound_5719 484.43697860453 15.1931549679487
473 Compound_3557 608.559666116436 7.8793785
474 Compound_5874 432.279001062748 14.3325112179487
475 Compound_5469 806.508905907954 1.06952130584192
476 Compound_3522 500.360695775109 11.9994286858974
477 Compound_2625 785.727451915224 13.1760494623656
478 Compound_29 770.571783653641 1.83453864468864
479 Compound_6581 766.581199399034 14.4158571428571
480 Compound_504 695.502477714478 15.2058123397436
481 Compound_4536 801.717059875797 4.06874068100359
482 Compound_6593 436.342470944882 15.8173074468085
483 Compound_4569 568.492798298682 14.4394090136054
484 Compound_1126 763.509718501481 14.8971988782051
485 Compound_685 416.265037643474 15.0990998397436
486 Compound_878 974.814810661058 14.6729344551282
487 Compound_1503 380.279540350818 16.4465166666667
488 Compound_1917 608.598935484541 8.06089935897436
489 Compound_762 589.445373709767 8.95464294871794
490 Compound_2070 353.268744666271 6.27071907051282
491 Compound_5394 530.405832153744 15.1575996794872
492 Compound_835 604.445319037644 8.17380480769231
493 Compound_2378 678.681520234523 14.3058448717949
494 Compound_1782 1007.2850902793 15.081774198718
495 Compound_5103 810.553888851221 7.13668942307692
496 Compound_2349 390.247845671372 14.5747950320513
497 Compound_6324 369.353072052811 14.8534254807692
498 Compound_994 552.536128086684 7.57913798076923
499 Compound_5689 555.517824786561 14.6768608974359
500 Compound_6024 638.612371423154 15.8804511217949
501 Compound_1672 486.34791166201 13.9754940705128