Mercurial > repos > malex > secimtools
view test-data/TEST0000_compound_identification_output.tsv @ 2:caba07f41453 draft default tip
"planemo upload for repository https://github.com/secimTools/SECIMTools/tree/main/galaxy commit 498abad641099412df56f04ff6e144e4193bbc34-dirty"
author | malex |
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date | Thu, 10 Jun 2021 15:41:17 +0000 |
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rowID_first MZ_first RT_first compound 0 474.34671140567497 11.4420366460235 Compound_3948 1 553.543269502578 14.584385724776402 Compound_6473 2 552.494521505721 15.361964781832302 Compound_7091 3 396.274008860028 8.0763035254653 Compound_687 4 801.689625980495 10.873359746769399 Compound_656 5 579.52650120206 8.52665136775676 Compound_2345 6 884.7775008126961 14.3755639146155 7 520.332281191103 14.616190912897698 Compound_5830 8 419.318867483192 15.504117447623802 9 456.36532408282096 14.947356487565598 Compound_4288 10 402.28850851880304 15.599335316606 Compound_1527 11 565.417704243613 14.588351086090698 12 339.29334910649897 10.6850085000355 Compound_2379 13 542.485625607512 15.211972703663001 14 751.56223344509 8.37155987014338 15 526.411236482926 14.7774219633552 Compound_3657 16 638.611044895051 16.62158475319 17 402.314570490142 15.8052174909533 18 474.307743962767 14.183209915397802 Compound_2079 19 678.680492648899 14.7688371499787 Compound_3796 20 781.548009162648 5.945966665850509 21 760.589660387368 13.0734250590241 Compound_6649 22 420.285369241395 13.081954187662802 23 568.34475001039 15.4693410818513 Compound_7096 24 313.228292966515 15.5830645436418 25 563.40854472046 8.24540971662489 26 592.566492734795 7.656275770507589 Compound_4946 27 678.474402056911 14.6078134784425 28 952.8296443178841 7.4312448491020895 Compound_3836 29 925.765312900706 14.8259383608994 Compound_845 30 376.30509209154195 15.0939587263775 Compound_2529 31 390.291837530485 14.9221503408485 32 440.416047762168 6.164778866231849 33 521.310071347119 14.047338325484601 34 530.406666992552 10.4110262590233 35 648.440580587553 14.2402373517416 36 517.4003819879099 13.787258565570099 37 745.5977843631731 11.6845834336358 38 301.151514707867 13.375007760964 39 672.544366136131 7.63700470128358 40 432.277318721739 14.537233463561002 Compound_6925 41 810.550708188387 14.490415078199801 Compound_4010 42 898.7260760219591 15.7095272113591 Compound_3813 43 678.689646144613 6.24876807119137 44 375.25646555140406 14.9128951488909 45 580.5589912598671 15.1978046639234 46 968.8642278496151 8.78568683813412 Compound_1659 47 837.604763425069 8.3037515301396 48 604.406636467912 15.461246552533 49 593.680616497116 11.175946647530198 Compound_4223 50 921.7313437791111 0.222818243431749 Compound_962 51 751.555467927123 15.1671003427039 52 419.27139490665604 6.71059256223976 53 500.322780301399 8.407576632128661 54 664.449155665291 15.6535465575498 55 604.4442378887901 13.8609880549772 Compound_1952 56 554.513350133367 15.0635745773946 Compound_3721 57 487.382454494408 15.3882968911571 Compound_3577 58 496.48293310952903 14.178117143149299 59 560.372600825014 15.1974991011197 60 636.44943924411 13.1333113475172 61 729.660485287456 15.6139778437943 Compound_2739 62 974.917812327341 8.29547341748819 Compound_403 63 492.884185113171 15.1052659262936 64 968.76699483672 14.721521638334501 Compound_743 65 428.33766836175596 13.695051435113198 Compound_7165 66 666.646979351574 15.1039923006876 67 358.36703697837095 15.4447610882876 Compound_3376 68 429.296654965776 6.947050949077519 69 893.705495403283 14.896521688159401 70 356.907644298034 15.618939881033 71 637.5036997489959 14.2547009789224 72 510.423391403557 13.646334620845499 73 591.415860978761 15.3820032628282 74 371.073117533582 14.3048567139913 75 811.568618184324 14.8221198465415 76 874.7835437853239 8.173843956115169 77 524.466157385886 14.481155728532698 78 397.300132196033 15.7620299987762 79 958.8843466391189 15.312930102862598 80 610.574377168712 6.00455044443112 81 458.31688544049 14.7587472570733 Compound_2029 82 462.373674373901 14.601324746193301 83 528.463357362613 14.473328985552401 Compound_7470 84 624.545085231726 8.77791545438533 85 397.32541263228796 5.941139968773509 86 931.7756680876829 14.6517497613815 Compound_2595 87 752.0841985510949 14.870180564177101 88 484.365466212461 15.5155410949155 89 540.462464548384 14.6474827205026 Compound_795 90 663.461632969438 6.80236559250965 91 784.728105903552 14.9744835125651 Compound_6588 92 580.534056075664 0.29555425469964003 93 624.588901365833 15.8141839837975 Compound_6127 94 382.410712023751 14.958132296273902 95 460.322119915707 1.6422216145191002 Compound_7726 96 909.781438104649 14.485378752596601 Compound_3503 97 1006.8873190689999 7.09090052940138 98 537.395420019669 16.083824945276803 99 877.715472840132 15.045894854948699 Compound_5539 100 512.425989235328 14.0973291194805 101 454.389197262706 14.894086434916801 Compound_4162 102 607.571188771351 11.5993683373878 103 940.820052065801 11.488129034343801 104 429.346960570561 7.299038724632 105 556.449317909259 8.06596863954612 106 516.3972621251979 14.791703056061198 107 963.823125118848 14.414879933778401 108 540.462877259829 14.214092951494901 Compound_5625 109 590.425042559633 15.9101217938053 110 335.22476513895197 14.4727420610098 111 566.511653851239 7.28039947047205 Compound_4337 112 623.457682776317 15.130848980005199 113 424.366022800518 7.79617054105651 Compound_4907 114 701.637140303726 15.1146210468916 115 651.656331034982 14.5583410265484 116 939.6728863212711 6.3618470674800705 Compound_6451 117 608.522079282737 14.3465254634364 Compound_4504 118 908.765929832521 6.7513347057034805 119 339.285934141394 16.712022760834902 Compound_4212 120 793.793610885885 14.5335481945312 121 678.4749092903891 8.49502395996475 122 502.336177603849 9.48391005757069 123 594.584915865833 15.410428298259802 Compound_6648 124 730.5476156521901 14.8448682991081 125 472.326464836411 8.15764675506168 126 311.29341717938 14.8780254142396 127 850.782568696499 0.346547404468878 Compound_4135 128 767.534988734758 11.6090192994944 129 651.508104389207 15.461647594420599 130 931.7595226206979 13.8903709132054 Compound_72 131 469.41078318382597 8.0964665932506 Compound_2933 132 377.274697566812 9.343839138476289 133 652.6368939698381 8.43170016863244 134 384.34923000795 15.2233916562479 Compound_5892 135 1054.28679910541 9.05757040002486 136 892.829743795416 16.238350117951402 Compound_7547 137 612.531722105512 15.494795364084402 138 807.575826720483 12.799751586329698 Compound_1522 139 834.7899731713111 7.88129001814847 Compound_1259 140 540.466785203002 14.283585816433199 Compound_6019 141 512.430804720143 1.92941712415619 Compound_1533 142 583.54698096572 14.622149414477198 Compound_5341 143 496.39640758918296 14.817823442417 144 1069.3051703474198 1.0720048063804 Compound_6640 145 590.417147665688 6.15806507646342 146 853.815020036014 16.7515150795716 147 664.6536447354599 14.396484862536 Compound_2573 148 928.835588023382 14.4394119385442 149 376.306559735979 14.2736092993981 Compound_3595 150 339.2879172941 14.5777548075406 Compound_844 151 934.782313466804 1.9098833835381699 Compound_453 152 368.424843823314 6.74184683983313 Compound_6415 153 386.287719726994 3.8899887171045093 Compound_7018 154 604.404666721944 14.6698009416625 Compound_5622 155 419.279027441484 14.530328773621301 Compound_1186 156 486.347299232678 15.1633866512578 Compound_250 157 486.39254983844705 9.899877148253749 158 341.400330714211 8.09228917528124 159 480.55304635066705 14.733517111052802 Compound_4700 160 804.6233351773309 14.7955191327095 161 402.292869839696 15.318425326577401 162 428.34328251722803 14.317424451052402 163 430.386524973636 15.2798846965539 Compound_1282 164 700.2364619043599 15.2974616546026 165 568.490288915538 6.938097504696491 Compound_3165 166 592.424567913297 13.8991572052498 Compound_5193 167 500.311022033451 15.908930500936902 168 316.20692385594896 11.4637144978225 169 330.22311331768503 5.0684876265604 170 486.33844254450304 15.091852443280699 171 465.42643886259003 15.0682052877735 172 398.763829729497 15.549985238752999 Compound_746 173 1013.2220236101599 9.414629167348 174 400.30564756201596 7.976853185511559 Compound_4754 175 568.494809707595 7.75779121429754 Compound_7062 176 486.349488319254 14.1989861597662 177 482.34853486787904 15.394136523997801 Compound_6967 178 440.29470696064203 14.447208808586199 179 356.919246414987 7.61511824819118 180 582.508850492893 7.572442243441469 Compound_3604 181 949.798909357337 14.4228333477866 Compound_6097 182 425.22493083289396 14.699504911328 183 440.375166609867 14.7264922169511 184 578.517778683645 14.791116094677301 185 444.325485206472 14.011372181284699 186 500.283992094834 15.4455461439488 Compound_6559 187 880.745643357832 15.4151842646069 Compound_7761 188 526.4489461153299 15.547848038009 Compound_4859 189 510.449360064541 15.379005039307001 Compound_2731 190 935.875649478409 0.329318496152521 191 663.452782982586 14.0071389659225 192 811.6064983446961 16.0157594623039 Compound_2950 193 484.328404871206 7.54478726058396 Compound_738 194 570.474713247564 13.477044343504 Compound_4160 195 631.475430556793 15.466141437038699 196 778.90667665833 7.02317816314842 197 498.41535083433405 15.240462602853501 Compound_4030 198 426.322722704132 14.4398260158265 Compound_3530 199 594.506539685596 14.738596015611698 200 936.8023324069991 1.35035404581753 Compound_281 201 930.854564689398 8.01029899896133 Compound_3324 202 447.34353330553495 15.237013322762802 203 532.387721117762 13.615571854755 Compound_1956 204 743.541889829669 15.389578864767401 205 663.457799215816 14.109623544647 206 496.40610114886397 8.359541980952999 207 944.723920068107 13.734394987049198 208 666.686998077672 4.86944432078458 Compound_7538 209 590.4183428259739 14.2300157247944 210 819.568081774179 13.8770510220147 Compound_3438 211 881.7425338569079 14.9512781474788 Compound_7682 212 474.303558151584 8.18053612758359 Compound_4737 213 874.970001069124 0.8369706812826679 214 768.5420288324249 15.154056403348 Compound_7308 215 841.6977930767321 6.22496887768954 216 449.290962873795 5.826551847354879 Compound_3547 217 894.850679472686 15.3412358491369 218 862.780003242076 6.93736921762656 219 447.356556640957 6.55637233728284 220 304.300114245517 6.0339169043444505 Compound_3849 221 636.638996928863 15.4382730086795 222 356.24597817532697 14.185948041127201 Compound_2947 223 371.297102346519 15.726938633935099 224 824.7688117306619 6.915902375318531 Compound_4193 225 482.35613990005095 14.863257637895998 226 811.560412016203 7.79496289388855 227 664.6528536778679 15.378548506979302 228 665.0177789787069 7.5452501998111705 229 550.634906434852 15.1640461564816 230 779.596764625494 15.0987051751774 231 629.553489029145 14.4158246060778 Compound_501 232 579.538609882983 14.3943321189112 233 458.39503084623 15.0022994059436 234 332.336646189458 13.8468875918615 235 370.30523851814905 8.074621092158491 236 610.5414367323381 14.0909495300219 237 867.737285634439 15.629878096821198 238 993.871060135012 15.103196543645302 Compound_4363 239 811.6603411738071 15.233465589706599 240 312.316865718242 14.4075214704262 241 524.434480656888 6.464230471354161 242 967.709013421606 12.4348852740855 243 408.36503096733804 14.978151125829001 Compound_5769 244 479.389264977141 7.84695042851156 245 442.288756497389 15.1607901157853 246 766.532310818772 6.06340435164659 247 912.79860228901 14.347469674957098 Compound_1035 248 457.37009776175 7.64231501808758 Compound_7222 249 546.393889832984 14.611720977112698 250 485.12016048135996 14.4592779501316 251 680.4791941670011 14.362829740471001 Compound_6053 252 560.413347504597 14.830323243129401 253 399.25916448389097 8.20223249631104 254 484.444984784665 15.255155299602 255 432.275530919031 13.820265449073698 256 992.9580990494729 5.509070996513691 Compound_1053 257 723.512263549046 6.731196229427531 258 975.739022563063 0.0645695697672762 259 610.574219768632 15.072943080762801 Compound_726 260 582.465309712136 14.2899342355164 261 360.231307973326 15.2534670321187 262 724.520222500238 14.571922299621999 263 635.459119190854 7.37690229137134 264 700.628860982578 15.4035906031711 Compound_7704 265 528.417629445505 15.062176798173699 266 526.485483078983 6.21626451815261 267 510.45688466299896 8.55773255507562 268 634.451903207016 14.6606500421333 Compound_4894 269 901.989571551907 14.7945300801896 Compound_532 270 460.364629102574 15.3890744453071 271 1015.0483015857599 7.7027052841626 272 356.34722203291 6.95433046154146 273 430.375297485611 14.376818556439499 274 412.26454399240305 14.4734005549324 275 414.352422056698 14.1757488900605 Compound_2174 276 398.247023601914 14.0419771348562 277 568.484516392204 14.4280129280542 278 934.873717680606 8.167357278875441 Compound_817 279 744.5484962936999 9.34131154125887 Compound_7369 280 707.490188607391 14.6223666242167 Compound_7747 281 1014.2327313334 15.1378545109304 282 666.64413637808 15.5135176484257 Compound_7647 283 736.546909398825 15.8287712223889 Compound_1138 284 810.552523695688 14.542725360950199 Compound_4010 285 720.732594773069 15.121410043498301 Compound_579 286 613.468411030981 15.4086854554825 287 612.550516501249 7.44140635085431 288 892.825620437293 13.9399191676997 289 550.519654282317 15.0472647797332 Compound_4026 290 328.24561696002996 14.4640482357861 Compound_6787 291 464.302336001009 9.77877196148022 292 964.92876639839 6.585405174251321 Compound_5820 293 372.23396996882894 10.1301309130825 294 545.421512134423 12.957651421576701 295 526.407783850707 15.0269016167957 Compound_1191 296 930.762610376452 14.801138853184199 297 335.223569893773 15.7993070069533 Compound_6239 298 766.530612408795 14.984120141141501 Compound_3066 299 432.288522140578 15.487211886716599 300 552.527189372531 15.2250972091891 301 355.289939764319 4.81476421087307 Compound_1076 302 485.354230082481 14.219618925590401 303 485.392281907229 5.82758998615668 304 582.548776140286 14.733108159065402 Compound_1400 305 458.308605245638 14.4988600902604 Compound_473 306 560.379451036845 12.985054194165599 Compound_2815 307 550.635561170473 13.521712737151198 308 554.471476904198 14.1408944733051 309 335.227044440419 15.2058217912533 310 678.682063598741 14.775571344663101 Compound_3796 311 485.443358445909 8.310118860282989 Compound_411 312 582.463972058327 15.809553045641199 313 663.454055389515 7.846518163235589 Compound_318 314 880.81977591833 14.637154773540301 Compound_4475 315 631.343020746132 14.872829476391699 316 1056.2980531425599 15.1780549138392 317 478.32548547372 14.319263571328001 318 456.30282919973604 14.447748853397501 319 923.7780833303999 14.501484232046002 Compound_378 320 940.82583199824 15.286708810411598 321 766.53091261416 14.692032512709401 322 386.325333075989 15.746701082643302 Compound_919 323 614.497411341969 14.4832680436267 Compound_5390 324 374.242935521445 16.088321887584698 325 433.28945965759806 15.1578924595141 Compound_4944 326 356.315909827979 15.0865967355302 Compound_5786 327 304.299407653135 15.1447581783077 Compound_2321 328 374.291288418099 6.61640934075103 Compound_73 329 968.7596241922391 14.893361926496999 Compound_743 330 498.305796809655 14.5863431483628 Compound_5987 331 589.452353175537 12.8770403273851 332 483.33347155597295 14.200581856988599 Compound_6006 333 962.8131856180389 14.591584050959 Compound_4449 334 932.872095478093 15.8907283058748 335 986.277734128609 15.0929949909886 Compound_6999 336 540.498687510128 14.3951745191091 337 414.326925990596 14.4434349349874 338 560.425892569285 6.50808210150868 339 510.45178736468597 7.71851954177494 Compound_3134 340 337.234823899655 16.3976233841623 Compound_6050 341 482.33496506759906 15.4241821254146 Compound_7786 342 526.408062133058 14.8257366882092 Compound_3657 343 540.471794087335 15.276374969861 344 722.495133590467 15.8568469621676 345 500.4281784992 15.2018796986695 Compound_5640 346 665.466988953684 14.300282657955599 Compound_3118 347 567.4285069633 8.877988877956382 348 596.607681508827 8.203592920604661 Compound_1112 349 304.30179040142 17.017366197153002 Compound_6708 350 402.25348767060797 9.04585527535283 Compound_2134 351 880.974969964378 8.12954457472806 352 716.569950270179 14.949450586623799 Compound_2165 353 500.388401895337 15.233089396336998 354 767.544116875856 6.285402734798289 355 487.382083732398 8.212759520373371 356 563.343398698286 14.797912862435501 Compound_6896 357 524.496415454014 14.7924139430765 358 370.25924226141996 14.319386505883902 Compound_971 359 302.205241898854 3.9499794054864 360 337.233429282394 8.37954482096975 Compound_68 361 333.298827698581 14.8503305773064 Compound_2734 362 971.8786004232061 16.218795156862498 Compound_458 363 311.189324428332 14.856125665195 364 675.522762832783 14.1067496895016 365 470.31308806228 14.2093730319678 366 877.718220045934 15.606945135658698 367 382.262911274332 4.8757587033456 Compound_3357 368 517.3462320210621 14.404113524233901 369 420.28324335484496 6.976113830111821 Compound_3944 370 972.8987442778849 8.0751443274382 371 784.58870472102 13.982691966147199 Compound_3554 372 1001.07079183565 14.415373669128199 373 442.35548612879995 13.974713458480801 Compound_4043 374 485.440321725615 1.7985147251208002 Compound_4049 375 560.413447964822 9.574978562788301 376 855.9536633958639 13.2636420677232 377 680.480970152621 0.24424312760597303 Compound_478 378 951.8142850567231 14.232594692647801 Compound_7696 379 414.25039050024805 13.215819601656301 Compound_2342 380 962.820261380715 14.4126091669856 381 339.254006317879 14.4372173359791 382 720.73699327616 14.408176315235698 383 771.64859328075 15.0214642794574 Compound_1688 384 683.59624099532 8.08058673971065 385 867.6743828703819 16.251841228216698 386 442.39396303853204 8.78201975623889 387 300.201715599641 14.2163713341291 Compound_6154 388 791.688523960441 14.9181589890479 Compound_2870 389 396.28412107558097 6.778033200798 390 514.37075162127 7.92138374234491 Compound_2957 391 788.613002928009 14.8314080452833 392 636.4528446068911 13.4901805215977 Compound_3158 393 912.794606234082 15.190943128727099 Compound_3606 394 735.580098693048 14.7137018093481 Compound_2716 395 892.7394997062551 8.25439440075145 Compound_4409 396 926.723179135614 14.900254856668198 Compound_3894 397 955.750984602141 13.2691176046226 398 568.421464123523 1.80560796720968 Compound_7236 399 304.894253171706 14.7632508727599 Compound_5990 400 672.536719092651 14.7201467790046 Compound_3908 401 663.450644678068 8.12050804791876 Compound_5187 402 983.876114986041 13.216955772660802 Compound_4794 403 1069.34418160414 15.412790784760599 Compound_1075 404 487.385430464083 15.266209389179199 Compound_3577 405 498.458700132015 14.9441245586295 406 594.5746744236441 14.147812182567101 407 543.479781336024 15.495851758682198 Compound_5130 408 590.432775281854 14.7838527634499 409 723.570356888216 14.9850488862517 410 990.8499875639419 13.510691296749899 411 428.332588537572 14.945908626191098 412 629.219239653936 14.538600106905001 Compound_6806 413 570.466298791568 8.383303014967119 414 788.508927122664 14.849062832785599 Compound_174 415 875.7849021680479 9.288067034355741 416 560.415989812594 15.086289210098801 Compound_2076 417 428.26208996131203 15.109332576024599 418 399.25446299365194 9.028872491562302 Compound_7196 419 458.31346280969706 16.4545106497426 420 427.39625490194504 16.4498662640942 Compound_3859 421 402.284659607633 15.3708796442592 Compound_1527 422 894.7090130864971 14.8262847231374 Compound_6257 423 330.234519539637 13.623865734969199 424 441.37756381522 14.479733784769499 Compound_1882 425 652.670046103049 15.2515314333624 426 916.829002080828 8.457201750728789 Compound_3087 427 591.422231725736 8.2850107057903 Compound_3274 428 604.391987321761 14.537988811879599 429 652.628121120591 16.5449089139579 430 398.291810795075 16.1622523027609 431 397.29080265165396 15.143575067576402 Compound_6666 432 468.408228410268 5.24636311747673 433 307.184902456514 13.527457668150001 434 375.243115238611 5.29173646807161 435 366.264007534421 16.513564479494697 436 388.228862283529 5.43331980605268 Compound_1556 437 520.332173790999 12.8434315848247 Compound_3413 438 508.478333099973 14.252715052427199 439 561.417451472937 16.3920540037217 440 525.4721843639389 14.3353910581744 Compound_1806 441 651.570337629218 14.5688603285734 Compound_6399 442 561.4135744967911 9.276381327654779 Compound_3220 443 768.713116849576 5.60770932248597 Compound_6956 444 384.240837862501 7.42977927324675 Compound_1003 445 415.325997424916 3.0194970956768596 446 514.367756858879 8.26651133875788 447 598.472557507741 16.1905628841076 448 550.510936037643 14.6879856600582 449 771.708917786841 5.09292620802556 450 609.555536324919 13.3802458741778 451 831.569220574824 15.2302879163815 Compound_6860 452 502.411273651561 14.4458735823615 Compound_3245 453 984.819470705263 15.031887640158699 454 547.404127482534 15.4118339519558 Compound_1535 455 752.406716571263 14.4293526760039 Compound_1988 456 542.37230835414 15.3273135591383 457 799.548930691218 14.918871286357 Compound_4110 458 566.4795279676821 16.3124845642525 Compound_1257 459 370.33461453956903 13.9970625560683 460 388.232943958389 7.143096124187441 461 510.449881824211 15.987863991954802 Compound_2863 462 610.529187509002 9.84235038103169 463 552.533539720641 14.771753493050001 Compound_503 464 767.543112085006 16.1035295427844 465 1025.92854636642 14.506268716718301 466 723.145711064626 0.300448615819412 Compound_1657 467 802.794698891315 8.053078127524529 Compound_760 468 548.4022730170079 6.11596783293217 Compound_4404 469 551.3615107059011 14.2951119062136 470 484.447930439622 15.235820144889999 471 608.5550870814241 7.59203332654965 472 432.28071177849404 14.0066948932991 Compound_757 473 806.5061765494501 0.8806965041741329 474 500.35804000627996 11.9414350545095 Compound_3522 475 785.733143772689 13.0076288656533 476 770.578451491893 1.9002820587446103 477 766.581575603042 14.4416715377631 Compound_6581 478 695.4961479910351 15.039932651748801 479 801.7064362123069 3.8332237055635296 480 436.34374838673995 15.6154925462445 481 568.494065213941 14.314793396001999 Compound_4569 482 763.5103888475571 15.0221558336203 Compound_1126 483 416.25851684515703 14.938636055476302 484 974.809150936459 14.704947952319902 485 380.27870045383696 16.3778636381424 Compound_1503 486 608.5939109370901 8.084075124557941 487 589.449788007372 9.241990000569071 488 353.26579740089204 6.2570810968786 Compound_2070 489 530.410888093696 15.342080252514 490 604.441765922533 8.37264442915292 491 678.67274816872 14.4996221097788 492 1007.29015999149 15.276355873192001 493 810.557653769927 7.389774393430691 494 390.238123720886 14.7656405015272 495 369.348733652007 14.860904375326 Compound_6324 496 552.539441250765 7.6737042113393095 Compound_994 497 555.5256703334011 14.484266493403098 498 638.615608072585 15.854757142409001 Compound_6024 499 486.34866694077994 14.086420562827302 Compound_1672