diff test-data/formatter/test2_topk_formatting.tsv @ 4:ba5e9bd05d5b draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de

--- a/test-data/formatter/test2_topk_formatting.tsv	Wed Sep 21 15:28:55 2022 +0000
+++ b/test-data/formatter/test2_topk_formatting.tsv	Tue Oct 18 11:00:55 2022 +0000
@@ -1,523 +1,154 @@
 query	reference	matches	score
-C001	Chlorpyrifos	7	0.2439698460078672
-C001	trans-Chlordane	10	0.1709889053423956
-C001	cis-Chlordane	10	0.16934374734008048
-C002	Carfentrazone-ethyl	1	0.023438813553203555
-C002	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	2	0.012935401162453864
-C002	Pyridaben	4	0.011168624908917228
-C003	Perylene_2H12	2	0.0005256270959446041
-C003	Metalaxyl	1	1.7567415612900304e-06
-C003	Perylene	0	0.0
-C004	17-alpha-Ethynylestradiol	2	0.002716713573623163
-C004	Coronene	1	0.0009680981940665212
-C004	Progesterone	2	0.0007924296222333303
-C005	Tetraconazole	3	0.12154746411094572
-C005	Sulfentrazone	1	0.05393598836706972
-C005	Indoxacarb	1	0.0441412960627566
-C006	Tris(4-tert-butylphenyl) phosphate	2	0.12426514943875827
-C006	Perylene_2H12	0	0.0
-C006	Perylene	0	0.0
-C007	Benzo[b]naphtho[2,1-d]thiophene	3	0.4302304171927885
-C007	2-Chlorobiphenyl	2	0.30327152545734354
-C007	Retene	3	0.16318259462298138
-C008	Spirotetramat	5	0.40641914075077024
-C008	Ethofumesate	4	0.17576877383827938
-C008	2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	3	0.1419543758042326
-C009	Picoxystrobin	1	0.0006870380110630028
-C009	Tris(isopropylphenyl)phosphate	1	0.00023550942343171069
-C009	Tebufenpyrad	1	0.00017257075992195458
-C010	cis-Permethrin	1	0.008724226797557697
-C010	trans-Permethrin	1	0.008418860878033153
-C010	cis-Phenothrin	1	0.005882714253167312
-C011	Fuberidazole	1	0.2308319926807784
-C011	Prometryn	2	0.1773186209832549
-C011	Benzoximate	1	0.07676637011355666
-C012	Chlorpyrifos	3	0.43976068904478827
-C012	Terbufos	1	0.4006683041096004
-C012	2,6-Dichloro-4-nitroaniline	1	0.20998341159494333
-C013	Indoxacarb	5	0.4827488304818007
-C013	Temephos	2	0.32810153796559577
-C013	Nuarimol	2	0.2936210041931014
-C014	Chlorferone	1	0.5119124308782732
-C014	Piperonyl butoxide	1	0.4857177881241794
-C014	2,6-Dichloro-4-nitroaniline	2	0.33898957004708385
-C015	Metazachlor	1	0.0011434403294572687
-C015	alpha-Amylcinnamyl alcohol	1	0.0005805859933790689
-C015	Pendimethalin	1	0.0005015386924657569
-C016	Drometrizole	3	0.5535081364244014
-C016	Acenaphthylene	2	0.540073031173669
-C016	Atrazine	5	0.4399647084473271
-C017	4-tert-Octylphenol	1	0.9088788152148044
-C017	Propargite_isomer2	1	0.8953233485170952
-C017	Propargite_isomer1	1	0.8942159049307404
-C018	Tris(4-tert-butylphenyl) phosphate	1	0.189695375366971
-C018	Perylene_2H12	0	0.0
-C018	Perylene	0	0.0
-C019	Triclosan	1	0.13434903881343435
-C019	Terbufos	1	0.08080384965580391
-C019	Epoxiconazole	2	0.07313225916488224
-C020	Tris(isopropylphenyl)phosphate	2	0.2520159660977677
-C020	Amitraz	2	0.1245102870796828
-C020	Metribuzin	1	0.05224979683560159
-C021	Tebuthiuron	2	0.9340205348244696
-C021	1,5-Dimethylnaphthalene	1	0.6803608761410861
-C021	2,6-Dimethylnaphthalene	1	0.6264160291669295
-C022	2-Bromoallyl(2,4,6-tribromophenyl) ether	1	0.11311229152083695
-C022	2,3,4,5,6-Pentabromobenzyl alcohol	2	0.07003350703850979
-C022	Allyl 2,4,6-tribromophenyl ether	1	0.06571493640420596
-C023	Phenanthrene_2H10	1	0.7408591267092633
-C023	2-Chlorobiphenyl	1	0.6159214014775711
-C023	Butylated hydroxytoluene	3	0.4899347755610658
-C024	Mepronil	2	0.18000248105004787
-C024	Spirotetramat	8	0.17523909122675907
-C024	Estrone	7	0.17146514923780354
-C025	Tris(4-tert-butylphenyl) phosphate	2	0.2957673370199089
-C025	Perylene_2H12	0	0.0
-C025	Perylene	0	0.0
-C026	Isodecyl diphenyl phosphate	2	0.4122773057565717
-C026	Dicofol	1	0.32235849897575225
-C026	Tris(isopropylphenyl)phosphate	2	0.18207675907106227
-C027	Fenobucarb	1	0.058048257187677615
-C027	Isoprocarb	1	0.056638368345330564
-C027	Dioxacarb	1	0.041723437047250914
-C028	Phosmet	1	0.7848313885767587
-C028	Alachlor	1	0.5400260886224933
-C028	Butafenacil	2	0.5287006460619553
-C029	Metolachlor	3	0.8624580271763471
-C029	Safrole	2	0.591167446764124
-C029	Amitraz	2	0.4100617029164697
-C030	Ethofumesate	2	0.1283368182166788
-C030	Iprovalicarb isomer 1	1	0.1278518291141877
-C030	Acephate	4	0.12723099231343524
-C031	Progesterone	1	1.6426994248357488e-05
-C031	17-beta-Estradiol	1	8.491318225734283e-06
-C031	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	1	5.164951992800528e-06
-C032	Perylene_2H12	0	0.0
-C032	Perylene	0	0.0
-C032	Phenanthrene_2H10	0	0.0
-C033	Oxadixyl	3	0.20330295530386605
-C033	Aminocarb	2	0.19494213484153544
-C033	Propham	4	0.16613167591921482
-C034	Pirimicarb	2	0.6282572820905313
-C034	Carbaryl	3	0.4781026376526427
-C034	Bifenthrin	3	0.3937324127463854
-C035	Isocarbophos	1	0.253114274939826
-C035	Tris(2-butoxyethyl) phosphate	1	0.08190774313427894
-C035	Fenhexamid	1	0.05085970884113621
-C036	2,3,4,5,6-Pentabromobenzyl alcohol	4	0.18423443680035376
-C036	2,3,4,5,6-Pentabromotoluene	1	0.1350710579626696
-C036	2,2',3,4',5,5',6-Heptachloro-4-methoxybiphenyl	2	0.0796114917141898
-C037	1-Methylphenanthrene	1	0.5459366395303993
-C037	Rotenone	1	0.4570036381038024
-C037	Tris(1,3-dichloro-2-propyl)phosphate	2	0.412163952235192
-C038	Boscalid	2	0.14075752965499524
-C038	Triclosan	1	0.08733871677757317
-C038	Indoxacarb	3	0.08698367543114087
-C039	4-Methoxybenzyl alcohol	1	0.03981836906328797
-C039	Progesterone	2	0.03613897694723208
-C039	Praziquantel	2	0.0352727221936598
-C040	cis-Cypermethrin_isomer1	3	0.7514936043388737
-C040	lambda-Cyhalothrin	1	0.7233092401070119
-C040	Fenpropathrin	1	0.7211467981004154
-C041	Perylene_2H12	0	0.0
-C041	Perylene	0	0.0
-C041	Phenanthrene_2H10	0	0.0
-C042	Perylene_2H12	0	0.0
-C042	Perylene	0	0.0
-C042	Phenanthrene_2H10	0	0.0
-C043	Carbofuran	3	0.5212598550187718
-C043	Carbofuran phenol	3	0.5173781620618291
-C043	Eugenol	3	0.2822612161029908
-C044	Tris(isopropylphenyl)phosphate	3	0.012366572371392014
-C044	Perylene_2H12	0	0.0
-C044	Perylene	0	0.0
-C045	Retene	2	0.37472668579836427
-C045	Etoxazole	2	0.2992332390137346
-C045	Picoxystrobin	1	0.12900223412955678
-C046	Perylene_2H12	0	0.0
-C046	Perylene	0	0.0
-C046	Phenanthrene_2H10	0	0.0
-C047	Perylene_2H12	0	0.0
-C047	Perylene	0	0.0
-C047	Phenanthrene_2H10	0	0.0
-C048	Perylene_2H12	0	0.0
-C048	Perylene	0	0.0
-C048	Phenanthrene_2H10	0	0.0
-C049	Perylene_2H12	0	0.0
-C049	Perylene	0	0.0
-C049	Phenanthrene_2H10	0	0.0
-C050	Picoxystrobin	2	0.3476899781242624
-C050	Tris(isopropylphenyl)phosphate	3	0.11995167595915295
-C050	Tebufenpyrad	2	0.08745999178934981
-C051	Perylene_2H12	0	0.0
-C051	Perylene	0	0.0
-C051	Phenanthrene_2H10	0	0.0
-C052	2,4',5-Trichlorobiphenyl	1	0.08935905370069537
-C052	2,4,4'-Trichlorobiphenyl	1	0.08866441298661976
-C052	2,4,6-Trichlorobiphenyl	1	0.08544380268109059
-C053	Perylene_2H12	0	0.0
-C053	Perylene	0	0.0
-C053	Phenanthrene_2H10	0	0.0
-C054	Transfluthrin	2	0.13361631824397593
-C054	Furathiocarb	1	0.08671877819276054
-C054	Cashmeran	1	0.06426615333868092
-C055	Bendiocarb	1	0.6309098067559973
-C055	Flufenacet	1	0.3672428373906641
-C055	Benalaxyl	1	0.30099176302428066
-C056	Bumetrizole	3	0.2310571211221721
-C056	Nuarimol	3	0.0668892328802477
-C056	4,4'-Dichlorodiphenyltrichloroethane	2	0.05363591603172288
-C057	Epoxiconazole	1	0.2557235415238599
-C057	4-Methoxybenzyl alcohol	1	0.22400850075479772
-C057	Terbutylazine	1	0.15145436344404262
-C058	Pyriproxyfen	1	0.9646591095006894
-C058	Methabenzthiazuron	1	0.753392328415398
-C058	Isocarbophos	1	0.7498262995321581
-C059	trans-Cypermethrin_isomer2	3	0.23465718947694245
-C059	Endrin ketone	2	0.17942583152569735
-C059	Metazachlor	2	0.1785461486989555
-C060	Perylene_2H12	0	0.0
-C060	Perylene	0	0.0
-C060	Phenanthrene_2H10	0	0.0
-C061	Perylene_2H12	2	0.1457986453664692
-C061	Metalaxyl	1	0.0006991971592894273
-C061	Perylene	0	0.0
-C062	17-beta-Estradiol	1	0.15783621850779087
-C062	Spiromesifen	2	0.13030188230328554
-C062	Progesterone	2	0.06835446607134321
-C063	Perylene_2H12	0	0.0
-C063	Perylene	0	0.0
-C063	Phenanthrene_2H10	0	0.0
-C064	Carfentrazone-ethyl	1	0.018943190348287533
-C064	Etoxazole	1	0.01578012304582602
-C064	Fenarimol	1	0.0036543976867372935
-C065	7,12-Dimethylbenz[a]anthracene	1	0.17462314825429734
-C065	Methoprotryne	1	0.1541290796409836
-C065	Metolachlor	1	0.12033850422276846
-C066	Perylene_2H12	0	0.0
-C066	Perylene	0	0.0
-C066	Phenanthrene_2H10	0	0.0
-C067	Hexabromobenzene	2	0.010672289636345755
-C067	Perylene_2H12	0	0.0
-C067	Perylene	0	0.0
-C068	Praziquantel	2	0.07958135980319712
-C068	Etoxazole	2	0.02619650835001873
-C068	Azoxystrobin	1	0.004663281915415839
-C069	Butafenacil	1	0.18850830869714846
-C069	Triphenyl phosphate	2	0.055216197560571764
-C069	Azoxystrobin	3	0.03934912357968432
-C070	Perylene_2H12	0	0.0
-C070	Perylene	0	0.0
-C070	Phenanthrene_2H10	0	0.0
-C071	Etoxazole	3	0.05922738876187074
-C071	Furathiocarb	1	0.05008802283663697
-C071	Spirotetramat	3	0.04292074803284585
-C072	Etoxazole	2	0.06835099807872327
-C072	Bifenazate	1	0.045443092067712736
-C072	Spirotetramat	1	0.0385534674496247
-C073	Pyraclostrobin	2	0.9535041271837356
-C073	Oxadixyl	4	0.7910256109540179
-C073	Praziquantel	3	0.6840766738581763
-C074	Fipronil	3	0.3044635926132772
-C074	Ethiprole	3	0.2922055976674368
-C074	Cyazofamid	1	0.06428948725728051
-C075	Terbufos	1	0.5400938382277265
-C075	Ethiofencarb	1	0.2523948105669581
-C075	1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	1	0.12971824728657946
-C076	Flutolanil	1	0.8485967987285207
-C076	Bromuconazole_isomer2	2	0.7127828451721377
-C076	Bromuconazole_isomer1	2	0.6877025703463038
-C077	Perylene_2H12	0	0.0
-C077	Perylene	0	0.0
-C077	Phenanthrene_2H10	0	0.0
-C078	Bupirimate	1	0.13974657683168296
-C078	Etoxazole	2	0.0169753161495105
-C078	Progesterone	1	0.0038398141926578064
-C079	Spirotetramat	2	0.1882344422583304
-C079	Progesterone	2	0.16023981186600048
-C079	Etoxazole	2	0.057812695018331514
-C080	Diethofencarb	2	0.511845636769791
-C080	Prometon	2	0.300031218332216
-C080	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	2	0.12064211458558788
-C081	Estrone	1	0.11703644068228687
-C081	Spirotetramat	3	0.07313605416641866
-C081	Benzofluoranthene	1	0.05389100883827439
-C082	Perylene_2H12	0	0.0
-C082	Perylene	0	0.0
-C082	Phenanthrene_2H10	0	0.0
-C083	Ethofumesate	1	0.043480931832514336
-C083	Benalaxyl	1	0.008158199350569542
-C083	Tris(3,5-xylenyl)phosphate	1	0.004816230209514116
-C084	Perylene_2H12	0	0.0
-C084	Perylene	0	0.0
-C084	Phenanthrene_2H10	0	0.0
-C085	Perylene_2H12	0	0.0
-C085	Perylene	0	0.0
-C085	Phenanthrene_2H10	0	0.0
-C086	Spirotetramat	1	0.08487887164972997
-C086	Phantolide	1	0.07672750046561576
-C086	Celestolide	1	0.0670424465060362
-C087	2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	1	0.0023188635945688304
-C087	Perylene_2H12	0	0.0
-C087	Perylene	0	0.0
-C088	Sulfentrazone	1	0.34010281957807026
-C088	Ethiprole	2	0.07806706863464179
-C088	Fipronil	1	0.05064949095675088
-C089	Estrone	2	0.11242430338327276
-C089	17-beta-Estradiol	2	0.11103518523395653
-C089	17-alpha-Ethynylestradiol	2	0.07960933211421765
-C090	Safrole	1	0.30173468935347697
-C090	Buprofezin	1	0.26111202665989397
-C090	1,4-Naphthoquinone	1	0.2374499719747145
-C091	Acephate	1	0.3895204858101274
-C091	4-Methoxybenzyl alcohol	2	0.3316368489450632
-C091	Limonene	1	0.31504473007440903
-C092	Triticonazole	3	0.16885819011116895
-C092	cis-Cypermethrin_isomer1	2	0.09179449317000099
-C092	cis-Cypermethrin_isomer2	2	0.08307720063117018
-C093	Acenaphthene	1	0.3550344475361788
-C093	Spirotetramat	2	0.35440311073510106
-C093	Methiocarb	1	0.22669489487832103
-C094	Azoxystrobin	2	0.0867021742419802
-C094	Boscalid	2	0.04111792442550393
-C094	Carfentrazone-ethyl	2	0.03748072093357795
-C095	Triclosan	1	0.4569843475650367
-C095	2,2',4,4',5,5'-Hexachlorobiphenyl	1	0.30890539007051365
-C095	2,2',3,4,4',5'-Hexachlorobiphenyl	1	0.3001391366557777
-C096	Chlorpyrifos oxon	2	0.4951348549387391
-C096	Endosulfan	2	0.10681348861365984
-C096	Chlorpyrifos	1	0.08773935144928954
-C097	Triadimenol_isomer1	1	0.6530903778998592
-C097	Triadimenol_isomer2	1	0.6220057644083183
-C097	Boscalid	1	0.24681643339242704
-C098	Tebufenpyrad	2	0.151238320380335
-C098	Chlorpyrifos	1	0.10699966329717307
-C098	Spirodiclofen	1	0.06417906482782681
-C099	Testosterone	1	0.11646566920503162
-C099	Butylated hydroxytoluene	1	0.04673587562152655
-C099	17-alpha-Ethynylestradiol	1	0.037457533457306916
-C100	Perylene_2H12	0	0.0
-C100	Perylene	0	0.0
-C100	Phenanthrene_2H10	0	0.0
-C101	Perylene_2H12	0	0.0
-C101	Perylene	0	0.0
-C101	Phenanthrene_2H10	0	0.0
-C102	Triticonazole	2	0.5336996347532538
-C102	Carboxin	3	0.3659524855319685
-C102	Paclobutrazol	1	0.2268834812634395
-C103	Perylene_2H12	1	0.06707997408159612
-C103	17-alpha-Ethynylestradiol	1	0.018682328889378926
-C103	Progesterone	1	0.01295087988307018
-C104	Estrone	1	0.004077028550281328
-C104	Testosterone	1	0.0031342530947578136
-C104	Spiromesifen	1	0.002757914839881182
-C105	Pyridaben	1	0.006150557887796118
-C105	Perylene_2H12	0	0.0
-C105	Perylene	0	0.0
-C106	Testosterone	1	0.15489171142643712
-C106	Etoxazole	1	0.016352928684328513
-C106	Spirotetramat	1	0.0062904645069006395
-C107	Perylene_2H12	0	0.0
-C107	Perylene	0	0.0
-C107	Phenanthrene_2H10	0	0.0
-C108	Spiromesifen	1	0.020951237553340774
-C108	17-beta-Estradiol	1	0.013392022272573741
-C108	Testosterone	1	0.013048242174815913
-C109	Bumetrizole	1	0.0017496917647964528
-C109	cis-Cypermethrin_isomer2	1	0.0013562725531987426
-C109	Perylene_2H12	0	0.0
-C110	Tris(isopropylphenyl)phosphate	1	0.014005356003130229
-C110	Perylene_2H12	0	0.0
-C110	Perylene	0	0.0
-C111	Perylene_2H12	0	0.0
-C111	Perylene	0	0.0
-C111	Phenanthrene_2H10	0	0.0
-C112	Acephate	1	0.003432198616120097
-C112	2,3,4,5,6-Pentabromobenzyl alcohol	1	0.0010556194775620822
-C112	Perylene_2H12	0	0.0
-C113	Spirotetramat	1	0.09923582187652268
-C113	Fenamidone	1	0.04349532389192298
-C113	Tri-m-cresyl phosphate	1	0.03446113009328269
-C114	2,2',3,5,5',6-Hexachlorobiphenyl	1	0.007142459164134815
-C114	cis-Heptachlor epoxide	1	0.006496649197557233
-C114	2,2',3,4,5,5'-Hexachlorobiphenyl	1	0.0064322479247378925
-C115	7,12-Dimethylbenz[a]anthracene	1	0.33353495402905736
-C115	Enzacamene	1	0.16429960277928815
-C115	Spirodiclofen	1	0.09200841804501496
-C116	Phantolide	1	0.6765447886087635
-C116	Celestolide	1	0.5855305782559419
-C116	Progesterone	2	0.27148697274385963
-C117	Tefluthrin	1	0.2383451182372184
-C117	Fenhexamid	1	0.13194163406015644
-C117	Butylated hydroxytoluene	1	0.07956712732379319
-C118	Perylene_2H12	0	0.0
-C118	Perylene	0	0.0
-C118	Phenanthrene_2H10	0	0.0
-C119	Difenoconazole_isomer2	1	0.43317358996336186
-C119	Difenoconazole_isomer1	1	0.3935774707401791
-C119	Hydroxychrysene	1	0.20696032716784896
-C120	1,4-Naphthoquinone	1	0.31792806800860685
-C120	Praziquantel	1	0.3024801127581045
-C120	alpha-Amylcinnamyl alcohol	1	0.2293394517123256
-C121	2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	2	0.16503091278673038
-C121	Octachlorodibenzo-p-dioxin	1	0.018991433893482
-C121	Perylene_2H12	0	0.0
-C122	Testosterone	2	0.13014922112429486
-C122	Tris(4-tert-butylphenyl) phosphate	1	0.06438796272159912
-C122	Metconazole	1	0.04286615974011067
-C123	Indoxacarb	1	0.5045532698301611
-C123	Myclobutanil	2	0.3553554295702141
-C123	2,2',5-Trichlorobiphenyl	1	0.17187616901661615
-C124	Pyridaben	1	0.7076048326997509
-C124	Phantolide	1	0.6025849351431068
-C124	Celestolide	1	0.521520395195447
-C125	2,2',3',4,4',5-Hexachloro-3-methoxybiphenyl	2	0.24826009298596555
-C125	Endosulfan	1	0.2465672514103301
-C125	2,2',3,4',5,5'-Hexachloro-4-methoxybiphenyl	1	0.23748098935395204
-C126	Boscalid	2	0.7849854997021458
-C126	Hydroxyfluoren-9-one	2	0.16146903540814592
-C126	Epoxiconazole	2	0.11431527796038154
-C127	Chlorpyrifos oxon	1	0.06370988970438786
-C127	1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin	1	0.048343740279893965
-C127	Chlorpyrifos	2	0.0473928411630094
-C128	Spirotetramat	2	0.4099600979476956
-C128	Etoxazole	2	0.03295371156467606
-C128	Progesterone	1	0.005491138035803362
-C129	Perylene_2H12	0	0.0
-C129	Perylene	0	0.0
-C129	Phenanthrene_2H10	0	0.0
-C130	Diclobutrazol	1	0.12259983041141136
-C130	Diniconazole	1	0.08810828784278397
-C130	Chlorpyrifos oxon	1	0.07067495979790965
-C131	Boscalid	2	0.4723517552315655
-C131	Eucalyptol	1	0.19453052989021216
-C131	beta-Hexachlorocyclohexane	1	0.12103059672461725
-C132	Prometryn	1	0.4995639250817017
-C132	7,12-Dimethylbenz[a]anthracene	1	0.465485129235019
-C132	Terbutryn	1	0.12610906960127524
-C133	Dimethachlor	2	0.9046302361414544
-C133	Iprovalicarb isomer 2	2	0.6209087338629522
-C133	Iprovalicarb isomer 1	2	0.61567879697979
-C134	Coumarin	1	0.7242097228435042
-C134	Tris(isopropylphenyl)phosphate	1	0.491895103368642
-C134	Spiroxamine_isomer1	1	0.31211135864989265
-C135	Coumarin	1	0.17743527097036982
-C135	Monolinuron	1	0.14421645838849775
-C135	Metobromuron	1	0.10115722181602198
-C136	Pyracarbolid	1	0.8115583661696311
-C136	Metconazole	1	0.6457097667608181
-C136	trans-Fenvalerate	1	0.6398503673797634
-C137	Perylene_2H12	0	0.0
-C137	Perylene	0	0.0
-C137	Phenanthrene_2H10	0	0.0
-C138	Perylene_2H12	0	0.0
-C138	Perylene	0	0.0
-C138	Phenanthrene_2H10	0	0.0
-C139	Perylene_2H12	0	0.0
-C139	Perylene	0	0.0
-C139	Phenanthrene_2H10	0	0.0
-C140	Rotenone	1	0.0015990284859575886
-C140	Perylene_2H12	0	0.0
-C140	Perylene	0	0.0
-C141	Tebufenpyrad	2	0.2938100129854653
-C141	Tris(isopropylphenyl)phosphate	2	0.020202034111700597
-C141	Ipconazole	1	0.017041584156450424
-C142	Perylene_2H12	0	0.0
-C142	Perylene	0	0.0
-C142	Phenanthrene_2H10	0	0.0
-C143	Dimethomorph_isomer2	1	0.16685279162562694
-C143	Dimethomorph _isomer1	1	0.16482807037456434
-C143	2,3,4,5,6-Pentabromotoluene	1	0.032682863992618404
-C144	Etoxazole	2	0.1027909809180103
-C144	2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	2	0.04732776045289416
-C144	Azoxystrobin	2	0.035630773587232864
-C145	Perylene_2H12	0	0.0
-C145	Perylene	0	0.0
-C145	Phenanthrene_2H10	0	0.0
-C146	Propargite_isomer1	1	0.0633083562823998
-C146	Propargite_isomer2	1	0.05654738208679003
-C146	2,2',3,3',4,5',6,6'-Octachlorobiphenyl	1	0.035712333462604294
-C147	2,2',3,4,4',5',6-Heptabromodiphenyl ether	1	0.03047378825096018
-C147	Chlorferone	1	0.01855122445019196
-C147	Progesterone	2	0.007867919703105094
-C148	Buprofezin	1	0.01875857752389424
-C148	Perylene_2H12	0	0.0
-C148	Perylene	0	0.0
-C149	Metalaxyl	2	0.29742589743178666
-C149	1,4-Naphthoquinone	1	0.2740480911849054
-C149	Praziquantel	1	0.260732240603901
-C150	trans-Prallethrin	1	0.00633664692361121
-C150	Perylene_2H12	0	0.0
-C150	Perylene	0	0.0
-C151	Spirotetramat	1	0.011452966094891676
-C151	Perylene_2H12	0	0.0
-C151	Perylene	0	0.0
-C152	Tris(3,5-xylenyl)phosphate	1	0.05756111981021594
-C152	Tris(isopropylphenyl)phosphate	1	0.0449470954588726
-C152	Perylene_2H12	0	0.0
-C153	Ethiofencarb	1	0.8284613374855048
-C153	1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane	1	0.4257874890609336
-C153	Isomethyl-alpha-ionone	1	0.36103138237616267
-C154	7,12-Dimethylbenz[a]anthracene	1	0.29226381053937395
-C154	Enzacamene	1	0.14396940230197552
-C154	Triflumizole	1	0.10858411907186044
-C155	Perylene_2H12	0	0.0
-C155	Perylene	0	0.0
-C155	Phenanthrene_2H10	0	0.0
-C156	7,12-Dimethylbenz[a]anthracene	1	0.08248293081186396
-C156	Methoprotryne	1	0.0432082364937662
-C156	Progesterone	1	0.02316539180928352
-C157	Perylene_2H12	0	0.0
-C157	Perylene	0	0.0
-C157	Phenanthrene_2H10	0	0.0
-C158	Tris(4-tert-butylphenyl) phosphate	1	0.012341356867974116
-C158	Perylene_2H12	0	0.0
-C158	Perylene	0	0.0
-C159	Trifluralin	1	0.1883562158254524
-C159	Fenpropathrin	1	0.015975881134824614
-C159	Ethiprole	1	0.007596489095240584
-C160	Bumetrizole	1	0.04337092323628775
-C160	trans-Cypermethrin_isomer2	1	0.030241071137562938
-C160	Perylene_2H12	1	0.029465908012253836
-C161	Perylene_2H12	0	0.0
-C161	Perylene	0	0.0
-C161	Phenanthrene_2H10	0	0.0
-C162	Perylene_2H12	0	0.0
-C162	Perylene	0	0.0
-C162	Phenanthrene_2H10	0	0.0
-C163	Perylene_2H12	0	0.0
-C163	Perylene	0	0.0
-C163	Phenanthrene_2H10	0	0.0
-C164	7,12-Dimethylbenz[a]anthracene	1	0.2284760273276565
-C164	Enzacamene	1	0.112547485896346
-C164	Fenamidone	1	0.0486288864876461
-C165	Boscalid	1	0.08498662209290331
-C165	Buprofezin	1	0.08205704595848827
-C165	Ipconazole	1	0.08152620214218925
-C166	Tris(2-butoxyethyl) phosphate	1	0.008342150525801997
-C166	Rotenone	1	0.0015006556689027325
-C166	Perylene_2H12	0	0.0
-C167	Perylene_2H12	0	0.0
-C167	Perylene	0	0.0
-C167	Phenanthrene_2H10	0	0.0
-C168	Perylene_2H12	0	0.0
-C168	Perylene	0	0.0
-C168	Phenanthrene_2H10	0	0.0
-C169	Perylene_2H12	0	0.0
-C169	Perylene	0	0.0
-C169	Phenanthrene_2H10	0	0.0
-C170	Perylene_2H12	0	0.0
-C170	Perylene	0	0.0
-C170	Phenanthrene_2H10	0	0.0
-C171	2,4-D butyl ester	1	0.6610587362108564
-C171	Terbutryn	1	0.6012657870951452
-C171	Estrone	2	0.31623371975319553
-C172	Perylene_2H12	1	0.06765194944236241
-C172	17-alpha-Ethynylestradiol	1	0.01884162876915315
-C172	Progesterone	1	0.01306130902820296
-C173	Spiromesifen	1	0.016586079079264453
-C173	Rotenone	1	0.0025109428261963678
-C173	Perylene_2H12	0	0.0
-C174	Perylene_2H12	0	0.0
-C174	Perylene	0	0.0
-C174	Phenanthrene_2H10	0	0.0
+C001	Sulfentrazone	18	0.5628769859493975
+C001	Dimethomorph	13	0.21123947571230445
+C001	Fenpropimorph	3	0.1724402539509388
+C002	Fuberidazole	10	0.42228986210263
+C002	Triflumuron	6	0.18301808160264693
+C002	Metribuzin	34	0.15483736628225514
+C003	Dinotefuran	7	0.36371270405069533
+C003	Forchlorfenuron	6	0.2900844630219365
+C003	Fuberidazole	9	0.2402739206276594
+C004	Boscalid	14	0.21701029457716275
+C004	Chloroxuron	11	0.15146088555482382
+C004	Fenarimol	15	0.1512102787330488
+C005	Dinotefuran	4	0.48748010990419266
+C005	Forchlorfenuron	3	0.4718886768467089
+C005	Triadimefon	11	0.25350626006111326
+C006	Propamocarb_1	1	0.04514131624669475
+C006	Propamocarb_2	1	0.04513568618897746
+C006	Thidiazuron	2	0.04361907635713056
+C007	Thiamethoxam	3	0.10069871056874392
+C007	Carfentrazone ethyl	21	0.058073633733907754
+C007	Azoxystrobin	15	0.04162201690293011
+C008	Nuarimol	19	0.24001108056690446
+C008	Carfentrazone ethyl	16	0.20226312595456533
+C008	Mepanipyrim	24	0.14228820913983994
+C009	Prometon_1	6	0.12091917830942694
+C009	Terbumeton_1	6	0.12091917830942694
+C009	Secbumeton_1	6	0.12091917830942694
+C010	Mefenacet	4	0.43004982863660707
+C010	Formetanate_2	5	0.29457761231941254
+C010	Formetanate_1	5	0.2905090298183795
+C011	Rotenone	16	0.120259993042822
+C011	Fluoxastrobin	15	0.061285197294993043
+C011	Diniconazole	11	0.05699612472380787
+C012	Mandipropamid	1	0.13126222394516718
+C012	Rotenone	8	0.0903130722741197
+C012	Boscalid	2	0.0729005850693225
+C013	Nuarimol	7	0.3025283295712756
+C013	Mepanipyrim	15	0.15526164028147613
+C013	Spirodiclofen	1	0.106955576332115
+C014	Fenarimol	8	0.32179033663818823
+C014	Diniconazole	15	0.15092951638007948
+C014	Triticonazole	11	0.14093053319713594
+C015	Tebuthiuron	2	0.42543841896130863
+C015	Dimoxystrobin	4	0.42066129038267897
+C015	Fenoxycarb	1	0.39730936680367507
+C016	Metaflumizone	7	0.1623382878576429
+C016	Tebufenpyrad	5	0.11500039861447153
+C016	Oxadixyl	3	0.08380136073062606
+C017	Diuron	1	0.40599269142482014
+C017	Neburon	1	0.37730332574966885
+C017	Metalaxyl	2	0.35998019446636254
+C018	Imidacloprid	5	0.38696080636127844
+C018	Diethofencarb	1	0.23518926887912128
+C018	Cyprodinil	5	0.22889204773489977
+C019	Dimethomorph	2	0.1531086374240407
+C019	Methabenzthiazuron	2	0.12163052809382871
+C019	Difenoconazole	3	0.11921837741737686
+C020	Metaflumizone	1	0.23108904445185505
+C020	Pyraclostrobin	2	0.1156909160450248
+C020	Flufenacet	1	0.09961048597871851
+C021	Fluoxastrobin	14	0.19390172961614233
+C021	Fenarimol	11	0.10371603681379983
+C021	Diniconazole	6	0.08088792564439248
+C022	Tebuthiuron	5	0.5445755137228012
+C022	Spiroxamine_2	1	0.5411902751987046
+C022	Spiroxamine_1	1	0.5316646078580738
+C023	Imidacloprid	3	0.14836980800858451
+C023	Mandipropamid	1	0.11566173860759153
+C023	3-Hydroxycarbofuran	1	0.11552221933479846
+C024	Flonicamid	4	0.21759028714740403
+C024	Imidacloprid	5	0.17807908901049269
+C024	Thiabendazole	1	0.11784109029164849
+C025	Fuberidazole	6	0.52564792144262
+C025	Thiamethoxam	2	0.43521398714077664
+C025	Dinotefuran	5	0.2544714861099532
+C026	Acibenzolar-S-methyl	1	0.27294451049290036
+C026	Ethofumesate	2	0.243921969041657
+C026	Tricyclazole	1	0.21870788794062254
+C027	Aminocarb_2	1	0.14452637381616495
+C027	Aminocarb_1	1	0.14452459002891235
+C027	Pyriproxyfen	1	0.143443143210623
+C028	Nuarimol	7	0.09525157976370839
+C028	Hydramethylnon	7	0.07386760517124663
+C028	Mevinphos	2	0.05351024774800468
+C029	Tebuthiuron	4	0.7578160314442438
+C029	Dimoxystrobin	4	0.7523284529176055
+C029	Fenoxycarb	2	0.7362883237809213
+C030	Fluoxastrobin	5	0.024671788239558207
+C030	Azoxystrobin	3	0.00805772872563839
+C030	Imazalil	1	0.006118222556281094
+C031	Thiabendazole	3	0.32542772940407816
+C031	Indoxacarb	3	0.11181300878614284
+C031	Fenpyroximate	11	0.09496750784008315
+C032	Chloroxuron	3	0.23099832140782792
+C032	Metaflumizone	4	0.15811807538527828
+C032	Clothianidin	3	0.15597953103591186
+C033	Triflumizole	1	0.12293170145864117
+C033	Fenoxycarb	1	0.03427456690960066
+C033	Hydramethylnon	4	0.02714227769520051
+C034	Tebufenpyrad	6	0.49374627461317955
+C034	Fenuron	4	0.4133963957082293
+C034	Carbaryl	1	0.3632254452201241
+C035	Fenarimol	7	0.09384407157367812
+C035	Diniconazole	3	0.0769387737847929
+C035	Furalaxyl	1	0.06844880759579586
+C036	Temephos	1	0.18474730701395245
+C036	Boscalid	2	0.1555080166548933
+C036	Difenoconazole	1	0.12573965018277433
+C037	Spiroxamine_1	1	0.17748544814941167
+C037	Spiroxamine_2	1	0.17459305075844642
+C037	Prometon_2	2	0.13300447820659206
+C038	Temephos	3	0.4479813614745304
+C038	Cyprodinil	11	0.38945132482337325
+C038	Tebufenpyrad	1	0.3230268544205335
+C039	Chloroxuron	5	0.7904224091921885
+C039	Metaflumizone	4	0.20495514559344025
+C039	Indoxacarb	4	0.06499320980489846
+C040	Nuarimol	7	0.3282707805775684
+C040	Hydramethylnon	8	0.2348918036086256
+C040	Dimoxystrobin	3	0.16614009139106203
+C041	Tebuthiuron	3	0.8149016029858368
+C041	Dimoxystrobin	5	0.8072997046898676
+C041	Fenoxycarb	1	0.7659786346098226
+C042	Fuberidazole	2	0.5857766323253869
+C042	Tebuthiuron	2	0.21955707467985677
+C042	Fenoxycarb	1	0.20659543701873473
+C043	Boscalid	2	0.06825376275669572
+C043	Pyrimethanil	3	0.057216918628908514
+C043	Dicrotophos	1	0.03384456583647226
+C045	Boscalid	3	0.1957440269836893
+C045	Carfentrazone ethyl	12	0.18490605424898302
+C045	Fipronil	8	0.15156444609388484
+C046	Nuarimol	4	0.3305281148374125
+C046	Methiocarb	1	0.15050994460485362
+C046	Clothianidin	2	0.1485039064562506
+C047	Methamidophos	2	0.13774763771211443
+C047	Ethirimol	3	0.1034867151296582
+C047	Dicrotophos	1	0.09639598176270271
+C048	Methoprotryne	1	0.15549799127470398
+C048	Prometon_2	1	0.10192628653945639
+C048	Terbumeton_2	1	0.10192628653945639
+C050	Propamocarb_1	1	0.995253153453804
+C050	Propamocarb_2	1	0.9951290247583393
+C050	Thidiazuron	2	0.9615972463125247
+C069	Metalaxyl	10	0.35854283629234446
+C069	Diuron	1	0.29921097365528254
+C069	Neburon	2	0.2796612168022523
+C106	Ethiofencarb	1	0.09746429231898772
+C106	Chlortoluron	1	0.05338627217152306
+C106	Ethirimol	2	0.04411148813226952
+C120	Tebufenpyrad	4	0.40579598696856434
+C120	Fenamidone	2	0.206943065684131
+C120	Isoproturon	6	0.15000239728413484