view secimtools/test-data/TEST0000_compound_identification_output.tsv @ 0:b54326490b4d draft

Upload 21.3.4.2 release
author malex
date Mon, 08 Mar 2021 20:55:03 +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