"CASRN"	"Name"	"CODE"	"cytotox_median_raw"	"cytotox_mad"	"nhit"	"global_mad"	"cytotox_median_log"	"cytotox_median_um"	"cytotox_lower_bound_um"
"100-00-5"	"1-Chloro-4-nitrobenzene"	"C100005"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"100-01-6"	"4-Nitroaniline"	"C100016"	1.12953823003711	0.0131043397278989	3	0.263559885902874	1.12953823003711	13.475293403199	2.18201922321216
"100-02-7"	"4-Nitrophenol"	"C100027"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"10016-20-3"	"alpha-Cyclodextrin"	"C10016203"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"100-21-0"	"Terephthalic acid"	"C100210"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"10025-74-8"	"Dysprosium(III) chloride"	"C10025748"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"100-37-8"	"N,N-Diethylethanolamine"	"C100378"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"10042-59-8"	"2-Propyl-1-heptanol"	"C10042598"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"10043-35-3"	"Boric acid"	"C10043353"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"100-51-6"	"Benzyl alcohol"	"C100516"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"100-54-9"	"3-Pyridinecarbonitrile"	"C100549"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"100-64-1"	"Cyclohexanone oxime"	"C100641"	2.11603641725779	0.425585590182026	2	0.263559885902874	2.11603641725779	130.628042016214	21.1522591932789
"1007-28-9"	"Deisopropylatrazine"	"C1007289"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"10081-67-1"	"4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline"	"C10081671"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1008-72-6"	"Sodium 2-formylbenzenesulfonate"	"C1008726"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"10094-34-5"	"1,1-Dimethyl-2-phenylethyl butanoate"	"C10094345"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"100-97-0"	"Methenamine"	"C100970"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101-02-0"	"Triphenyl phosphite"	"C101020"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101-05-3"	"Anilazine"	"C101053"	1.30980187323633	0.30375104443327	2	0.263559885902874	1.30980187323633	20.4080670863109	3.30462523957827
"101-10-0"	"Cloprop"	"C101100"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101-20-2"	"Triclocarban"	"C101202"	0.323304904838635	0.323217515797179	17	0.263559885902874	0.323304904838635	2.10525595669822	0.340898623120659
"101-21-3"	"Chlorpropham"	"C101213"	0.569001811063284	0.397122052917342	3	0.263559885902874	0.569001811063284	3.70682267571604	0.600236157643218
"101-37-1"	"2,4,6-Tris(allyloxy)-1,3,5-triazine"	"C101371"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101-42-8"	"Fenuron"	"C101428"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101463-69-8"	"Flufenoxuron"	"C101463698"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101-54-2"	"N-Phenyl-1,4-benzenediamine"	"C101542"	0.815663612458457	0.28102884451775	7	0.263559885902874	0.815663612458457	6.54129314779874	1.05921459118467
"101-55-3"	"p-Bromodiphenyl ether"	"C101553"	1.79966788925256	0.374533157662905	4	0.263559885902874	1.79966788925256	63.0475027475324	10.2091181879557
"101-61-1"	"4,4'-Methylenebis(N,N-dimethylaniline)"	"C101611"	1.37933981118721	0.387021214648231	5	0.263559885902874	1.37933981118721	23.9518912518344	3.87846747228397
"10161-33-8"	"17beta-Trenbolone"	"C10161338"	0.97307382434544	0.345452405676156	9	0.263559885902874	0.97307382434544	9.39883064735816	1.52192820850806
"101-77-9"	"4,4'-Methylenedianiline"	"C101779"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101-80-4"	"4,4'-Oxydianiline"	"C101804"	0.762088992205489	0	1	0.263559885902874	3	1000	161.927399866052
"101-81-5"	"Diphenylmethane"	"C101815"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101-83-7"	"Dicyclohexylamine"	"C101837"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101-84-8"	"Diphenyl oxide"	"C101848"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"101-86-0"	"2-Benzylideneoctanal"	"C101860"	1.5296079068694	0.092072937959345	13	0.263559885902874	1.5296079068694	33.8538376270044	5.48186390242832
"102-06-7"	"1,3-Diphenylguanidine"	"C102067"	1.1736898994803	0.0353976725331675	4	0.263559885902874	1.1736898994803	14.9172888581089	2.4155177978444
"10222-01-2"	"2,2-Dibromo-3-nitrilopropionamide"	"C10222012"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"102-27-2"	"N-Ethyl-3-methylaniline"	"C102272"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1024-57-3"	"Heptachlor epoxide"	"C1024573"	1.08443333936795	0.660414389576628	14	0.263559885902874	1.08443333936795	12.1460017502266	1.9667704821827
"102-60-3"	"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine"	"C102603"	0.90990316594876	0	1	0.263559885902874	3	1000	161.927399866052
"10265-92-6"	"Methamidophos"	"C10265926"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"102676-31-3"	"Fadrozole hydrochloride"	"C102676313"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"102-71-6"	"Triethanolamine"	"C102716"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"102-76-1"	"Triacetin"	"C102761"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"102-82-9"	"Tributylamine"	"C102829"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"103055-07-8"	"Lufenuron"	"C103055078"	1.21071778059809	0.248840549285018	2	0.263559885902874	1.21071778059809	16.2449276174276	2.63049889010226
"103-09-3"	"2-Ethylhexyl acetate"	"C103093"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1031-07-8"	"Endosulfan sulfate"	"C1031078"	1.50193318093815	0.0368124397723892	4	0.263559885902874	1.50193318093815	31.7638532528304	5.14343816695764
"103-11-7"	"2-Ethylhexyl acrylate"	"C103117"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"103-23-1"	"Di(2-ethylhexyl) adipate"	"C103231"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"103-24-2"	"Bis(2-ethylhexyl) nonanedioate"	"C103242"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"103-33-3"	"Azobenzene"	"C103333"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"103-34-4"	"4,4'-Dithiodimorpholine"	"C103344"	1.41903531169589	0	1	0.263559885902874	3	1000	161.927399866052
"103361-09-7"	"Flumioxazin"	"C103361097"	1.39944379539769	0	1	0.263559885902874	3	1000	161.927399866052
"1034-01-1"	"Octyl gallate"	"C1034011"	1.42320170703067	0.354674128665266	30	0.263559885902874	1.42320170703067	26.497305138452	4.2906397245269
"103-41-3"	"Benzyl cinnamate"	"C103413"	1.92496290636451	0	1	0.263559885902874	3	1000	161.927399866052
"103-65-1"	"Propylbenzene"	"C103651"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"103-69-5"	"N-Ethylaniline"	"C103695"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"103-76-4"	"1-Piperazineethanol"	"C103764"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"103-90-2"	"Acetaminophen"	"C103902"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104098-48-8"	"Imazapic"	"C104098488"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104-13-2"	"4-Butylaniline"	"C104132"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104206-82-8"	"Mesotrione"	"C104206828"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104-40-5"	"4-Nonylphenol"	"C104405"	1.18401851723796	0.0494499676358536	15	0.263559885902874	1.18401851723796	15.27631191249	2.4736534675323
"104-43-8"	"4-Dodecylphenol"	"C104438"	1.39642988329442	0.0654257140940436	17	0.263559885902874	1.39642988329442	24.9132211562182	4.03413312411432
"104-45-0"	"4-Propylanisole"	"C104450"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104-51-8"	"Butylbenzene"	"C104518"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"10453-86-8"	"Resmethrin"	"C10453868"	1.06129820717732	0.254257102943449	11	0.263559885902874	1.06129820717732	11.5159085439518	1.86474112761736
"104-54-1"	"3-Phenyl-2-propen-1-ol"	"C104541"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104-61-0"	"gamma-Nonanolactone"	"C104610"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104-66-5"	"1,2-Diphenoxyethane"	"C104665"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104-67-6"	"5-Heptyldihydro-2(3H)-furanone"	"C104676"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104-76-7"	"2-Ethyl-1-hexanol"	"C104767"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"104795-68-8"	"CI-959"	"C104795688"	1.17859302482216	0.325654866386352	20	0.263559885902874	1.17859302482216	15.0866572846487	2.44294318677339
"105-21-5"	"1,4-Heptanolide"	"C105215"	-2.45128798005211	0	1	0.263559885902874	3	1000	161.927399866052
"105-37-3"	"Ethyl propionate"	"C105373"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"10540-29-1"	"Tamoxifen"	"C10540291"	1.14240422078078	0.516983604784944	32	0.263559885902874	1.14240422078078	13.8804715652518	2.24762866947589
"105512-06-9"	"Clodinafop-propargyl mixt."	"C105512069"	1.01848650749883	0	1	0.263559885902874	3	1000	161.927399866052
"105-53-3"	"Diethyl propanedioate"	"C105533"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"105-54-4"	"Ethyl butyrate"	"C105544"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"105-55-5"	"N,N'-Diethylthiourea"	"C105555"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"105-60-2"	"Caprolactam"	"C105602"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"105624-86-0"	"5HPP-33"	"C105624860"	1.29572321381501	0.422526540047891	22	0.263559885902874	1.29572321381501	19.7571007183907	3.19921594822071
"105-67-9"	"2,4-Dimethylphenol"	"C105679"	1.15664753401243	0	1	0.263559885902874	3	1000	161.927399866052
"105-87-3"	"Geranyl acetate"	"C105873"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"105-99-7"	"Dibutyl hexanedioate"	"C105997"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"10605-21-7"	"Carbendazim"	"C10605217"	0.889104970575936	0.0558018784076435	11	0.263559885902874	0.889104970575936	7.74649010695775	1.25436900110776
"1061517-62-1"	"PharmaGSID_47337"	"C1061517621"	1.31384636697381	0.360834226422408	25	0.263559885902874	1.31384636697381	20.5990108793719	3.3355442715092
"106-22-9"	"Citronellol"	"C106229"	-0.60224426760678	2.47234778521603	2	0.263559885902874	-0.60224426760678	0.249893944548732	0.0404646766830475
"106-23-0"	"Citronellal"	"C106230"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"106-24-1"	"Geraniol"	"C106241"	1.90433936490501	0	1	0.263559885902874	3	1000	161.927399866052
"106-25-2"	"(2Z)-3,7-Dimethylocta-2,6-dien-1-ol"	"C106252"	2.04700475441882	0	1	0.263559885902874	3	1000	161.927399866052
"106-27-4"	"Isopentyl butyrate"	"C106274"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"106-30-9"	"Ethyl heptanoate"	"C106309"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"106-43-4"	"4-Chlorotoluene"	"C106434"	-0.0629412817795993	0	1	0.263559885902874	3	1000	161.927399866052
"106-44-5"	"p-Cresol"	"C106445"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"106-45-6"	"4-Thiocresol"	"C106456"	1.79443442792412	0	1	0.263559885902874	3	1000	161.927399866052
"106-46-7"	"1,4-Dichlorobenzene"	"C106467"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"106-47-8"	"4-Chloroaniline"	"C106478"	0.763018331617261	0.675452559801982	3	0.263559885902874	0.763018331617261	5.79453154691293	0.93829342683342
"106-48-9"	"4-Chlorophenol"	"C106489"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"106-49-0"	"4-Methylaniline"	"C106490"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"106-50-3"	"1,4-Benzenediamine"	"C106503"	1.59955767021603	0	1	0.263559885902874	3	1000	161.927399866052
"106-65-0"	"Dimethyl succinate"	"C106650"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"106-68-3"	"3-Octanone"	"C106683"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1067-25-0"	"Trimethoxypropylsilane"	"C1067250"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1067-53-4"	"Tris(2-methoxyethoxy)vinylsilane"	"C1067534"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"106-87-6"	"4-Vinyl-1-cyclohexene dioxide"	"C106876"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1068967-96-3"	"SAR102608"	"C1068967963"	1.31451079738261	0.266623158498342	6	0.263559885902874	1.31451079738261	20.6305495812315	3.34065125149647
"106-93-4"	"1,2-Dibromoethane"	"C106934"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-07-3"	"2-Chloroethanol"	"C107073"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-13-1"	"Acrylonitrile"	"C107131"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-18-6"	"Allyl alcohol"	"C107186"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-20-0"	"Chloroacetaldehyde"	"C107200"	0.850469180845203	0	1	0.263559885902874	3	1000	161.927399866052
"107-21-1"	"Ethylene glycol"	"C107211"	0.969452654290913	0	1	0.263559885902874	3	1000	161.927399866052
"1072-15-7"	"Sulfuric acid, monononyl ester, sodium salt"	"C1072157"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-30-2"	"Chloromethyl methyl ether"	"C107302"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-41-5"	"2-Methyl-2,4-pentanediol"	"C107415"	1.2463519433983	0.176160291418378	3	0.263559885902874	1.2463519433983	17.6340449460946	2.85543504724219
"107-46-0"	"Hexamethyldisiloxane"	"C107460"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-51-7"	"Octamethyltrisiloxane"	"C107517"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107534-96-3"	"Tebuconazole"	"C107534963"	1.74752794515668	0.443225392419418	4	0.263559885902874	1.74752794515668	55.9149505503691	9.05416255626012
"107-54-0"	"3,5-Dimethyl-1-hexyn-3-ol"	"C107540"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1076-97-7"	"1,4-Cyclohexanedicarboxylic acid"	"C1076977"	1.86694366096909	0	1	0.263559885902874	3	1000	161.927399866052
"107-75-5"	"7-Hydroxy-3,7-dimethyloctanal"	"C107755"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-87-9"	"2-Pentanone"	"C107879"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-88-0"	"1,3-Butanediol"	"C107880"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"107-92-6"	"Butanoic acid"	"C107926"	1.40981559809065	0	1	0.263559885902874	3	1000	161.927399866052
"107-98-2"	"1-Methoxy-2-propanol"	"C107982"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-01-0"	"Dimethylaminoethanol"	"C108010"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-11-2"	"4-Methyl-2-pentanol"	"C108112"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-21-4"	"Isopropyl acetate"	"C108214"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-32-7"	"Propylene carbonate"	"C108327"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-38-3"	"1,3-Dimethylbenzene"	"C108383"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-39-4"	"m-Cresol"	"C108394"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108419-33-6"	"Acetic acid, C8-10-branched alkyl esters, C9-rich"	"C108419336"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-44-1"	"3-Methylaniline"	"C108441"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-45-2"	"1,3-Benzenediamine"	"C108452"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-46-3"	"Resorcinol"	"C108463"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1085-12-7"	"Heptylparaben"	"C1085127"	1.63566411309277	0.184414312675853	10	0.263559885902874	1.63566411309277	43.2179450620673	6.99816947145443
"108-59-8"	"Dimethyl malonate"	"C108598"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-67-8"	"1,3,5-Trimethylbenzene"	"C108678"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-68-9"	"3,5-Dimethylphenol"	"C108689"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-77-0"	"2,4,6-Trichloro-s-triazine"	"C108770"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-80-5"	"Cyanuric acid"	"C108805"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-83-8"	"Diisobutyl ketone"	"C108838"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-91-8"	"Cyclohexylamine"	"C108918"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-93-0"	"Cyclohexanol"	"C108930"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-94-1"	"Cyclohexanone"	"C108941"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-95-2"	"Phenol"	"C108952"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"108-98-5"	"Benzenethiol"	"C108985"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"109-02-4"	"4-Methylmorpholine"	"C109024"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"109-43-3"	"Dibutyl decanedioate"	"C109433"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"109-46-6"	"N,N'-Dibutylthiourea"	"C109466"	1.77081437054701	0.0859123596033872	2	0.263559885902874	1.77081437054701	58.9948865839506	9.55288858993172
"109-52-4"	"Pentanoic acid"	"C109524"	1.89199458609242	0.038960499631162	3	0.263559885902874	1.89199458609242	77.9820389235038	12.6274287991362
"109-55-7"	"3-(Dimethylamino)propylamine"	"C109557"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1095-90-5"	"Methadone hydrochloride"	"C1095905"	1.30260954490347	0.264195822883921	3	0.263559885902874	1.30260954490347	20.0728733722415	3.25034819300756
"109-77-3"	"Propanedinitrile"	"C109773"	2.03469132809858	0	1	0.263559885902874	3	1000	161.927399866052
"109-86-4"	"2-Methoxyethanol"	"C109864"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-05-4"	"Di-tert-butyl peroxide"	"C110054"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-12-3"	"5-Methyl-2-hexanone"	"C110123"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-15-6"	"Butanedioic acid"	"C110156"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-16-7"	"Maleic acid"	"C110167"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-17-8"	"Fumaric acid"	"C110178"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110235-47-7"	"Mepanipyrim"	"C110235477"	1.43490372689187	0.16823936288639	4	0.263559885902874	1.43490372689187	27.2209781464847	4.40782221307088
"110-25-8"	"Oleyl sarcosine"	"C110258"	1.60466826410235	0.178609857272916	16	0.263559885902874	1.60466826410235	40.2409536321475	6.51611298978399
"110-26-9"	"N,N'-Methylenebisacrylamide"	"C110269"	1.52647666631039	0	1	0.263559885902874	3	1000	161.927399866052
"110-27-0"	"Isopropyl tetradecanoic acid"	"C110270"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-33-8"	"Dihexyl hexanedioate"	"C110338"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-42-9"	"Methyl decanoate"	"C110429"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-43-0"	"2-Heptanone"	"C110430"	1.55274994201489	0.0905594053724906	2	0.263559885902874	1.55274994201489	35.7067186883202	5.78189611494824
"110-44-1"	"Sorbic acid"	"C110441"	1.93054688368186	0	1	0.263559885902874	3	1000	161.927399866052
"110488-70-5"	"Dimethomorph"	"C110488705"	0.767406368842562	0.256628495194787	4	0.263559885902874	0.767406368842562	5.85337527628529	0.947821838929108
"110-62-3"	"Pentanal"	"C110623"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-63-4"	"1,4-Butanediol"	"C110634"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-65-6"	"2-Butyne-1,4-diol"	"C110656"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-69-0"	"Butanal oxime"	"C110690"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-73-6"	"2-(Ethylamino)ethanol"	"C110736"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-80-5"	"2-Ethoxyethanol"	"C110805"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-85-0"	"Piperazine"	"C110850"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-87-2"	"3,4-Dihydro-2H-pyran"	"C110872"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-91-8"	"Morpholine"	"C110918"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"110-97-4"	"Diisopropanolamine"	"C110974"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"11099-07-3"	"Glyceryl stearates"	"C11099073"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-11-5"	"Methyl octanoate"	"C111115"	-0.164276366656862	0	1	0.263559885902874	3	1000	161.927399866052
"111-14-8"	"Heptanoic acid"	"C111148"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-15-9"	"2-Ethoxyethyl acetate"	"C111159"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1111-78-0"	"Ammonium carbamate"	"C1111780"	0.775886929282262	0.1639784169785	2	0.263559885902874	0.775886929282262	5.9687986572535	0.966512046893038
"111-20-6"	"Decanedioic acid"	"C111206"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-21-7"	"Triethylene glycol diacetate"	"C111217"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1112-39-6"	"Dimethoxydimethylsilane"	"C1112396"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-27-3"	"1-Hexanol"	"C111273"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-30-8"	"Glutaraldehyde"	"C111308"	1.40909597998291	0.0870847375161604	10	0.263559885902874	1.40909597998291	25.6505085545021	4.15352015547243
"111-40-0"	"Diethylenetriamine"	"C111400"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-42-2"	"Diethanolamine"	"C111422"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-44-4"	"Bis(2-chloroethyl) ether"	"C111444"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-46-6"	"Diethylene glycol"	"C111466"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1114-71-2"	"Pebulate"	"C1114712"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-49-9"	"Hexamethyleneimine"	"C111499"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-55-7"	"1,2-Ethanediol diacetate"	"C111557"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-62-6"	"Ethyl oleate"	"C111626"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-69-3"	"Hexanedinitrile"	"C111693"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-70-6"	"1-Heptanol"	"C111706"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-71-7"	"Heptanal"	"C111717"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-76-2"	"2-Butoxyethanol"	"C111762"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-77-3"	"Diethylene glycol monomethyl ether"	"C111773"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111812-58-9"	"Fenpyroximate (Z,E)"	"C111812589"	1.06989642580376	0.236259871672982	14	0.263559885902874	1.06989642580376	11.7461738891065	1.90202739623752
"111-82-0"	"Methyl dodecanoate"	"C111820"	1.34940585475968	0.149028492478929	4	0.263559885902874	1.34940585475968	22.3566050545726	3.62014692631917
"111-84-2"	"Nonane"	"C111842"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1118-46-3"	"Butyltin trichloride"	"C1118463"	1.5170336084012	0	1	0.263559885902874	3	1000	161.927399866052
"111-87-5"	"1-Octanol"	"C111875"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1118-92-9"	"N,N-Dimethyloctanamide"	"C1118929"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-90-0"	"2-(2-Ethoxyethoxy)ethanol"	"C111900"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1119-40-0"	"Dimethyl glutarate"	"C1119400"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111-96-6"	"Bis(2-methoxyethyl) ether"	"C111966"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"111988-49-9"	"Thiacloprid"	"C111988499"	2.02113652657345	0	1	0.263559885902874	3	1000	161.927399866052
"111991-09-4"	"Nicosulfuron"	"C111991094"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1120-01-0"	"Sodium hexyldecyl sulfate"	"C1120010"	1.27410528240863	0.289238314627177	6	0.263559885902874	1.27410528240863	18.7977245921618	3.04386666660689
"1120-04-3"	"Octadecyl sulfate sodium salt"	"C1120043"	1.58844401504123	0.114723223146818	10	0.263559885902874	1.58844401504123	38.7653772790439	6.27717674762208
"112-00-5"	"Dodecyltrimethylammonium chloride"	"C112005"	1.34141643004625	0.162538369921181	22	0.263559885902874	1.34141643004625	21.9490854898743	3.55415834281303
"1120-21-4"	"Undecane"	"C1120214"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-05-0"	"Nonanoic acid"	"C112050"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1120-71-4"	"1,3-Propane sultone"	"C1120714"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-07-2"	"2-Butoxyethyl acetate"	"C112072"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-12-9"	"2-Undecanone"	"C112129"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-14-1"	"Octyl acetate"	"C112141"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-18-5"	"N,N-Dimethyldodecan-1-amine"	"C112185"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112226-61-6"	"Halofenozide"	"C112226616"	-2.53733533034382	0	1	0.263559885902874	3	1000	161.927399866052
"112-25-4"	"2-(Hexyloxy)ethanol"	"C112254"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-27-6"	"Triethylene glycol"	"C112276"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112281-77-3"	"Tetraconazole"	"C112281773"	1.27383679678883	0.565913645451751	13	0.263559885902874	1.27383679678883	18.7861072236726	3.04198549633416
"112-30-1"	"1-Decanol"	"C112301"	1.58787563413082	0	1	0.263559885902874	3	1000	161.927399866052
"112-31-2"	"Decanal"	"C112312"	-2.5313241566403	0	1	0.263559885902874	3	1000	161.927399866052
"112-34-5"	"2-(2-Butoxyethoxy)ethanol"	"C112345"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-35-6"	"2-[2-(2-Methoxyethoxy)ethoxy]ethanol"	"C112356"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-38-9"	"10-Undecenoic acid"	"C112389"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112410-23-8"	"Tebufenozide"	"C112410238"	1.17614487673803	0.116052546502724	8	0.263559885902874	1.17614487673803	15.0018520034626	2.42921088809602
"112-42-5"	"1-Undecanol"	"C112425"	1.47959216710212	0.222868664443721	11	0.263559885902874	1.47959216710212	30.1711710564672	4.8855392800876
"112-49-2"	"Triethylene glycol dimethyl ether"	"C112492"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-50-5"	"2-[2-(2-Ethoxyethoxy)ethoxy]ethanol"	"C112505"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112529-15-4"	"Pioglitazone hydrochloride"	"C112529154"	1.44922874099353	0.928675512488888	4	0.263559885902874	1.44922874099353	28.133822362899	4.55563670351761
"112-53-8"	"1-Dodecanol"	"C112538"	1.51325975297441	0.101603062929372	15	0.263559885902874	1.51325975297441	32.6031643308861	5.27934562750598
"112-55-0"	"1-Dodecanethiol"	"C112550"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-60-7"	"Tetraethylene glycol"	"C112607"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"112-63-0"	"Methyl linoleate"	"C112630"	1.66306218051803	0.097824764240895	4	0.263559885902874	1.66306218051803	46.0322475963813	7.45388216327232
"112-70-9"	"1-Tridecanol"	"C112709"	1.53122460520285	0.45584222944192	14	0.263559885902874	1.53122460520285	33.9800962900096	5.50230863943932
"112-72-1"	"1-Tetradecanol"	"C112721"	1.51555847053123	0.233373920782494	14	0.263559885902874	1.51555847053123	32.7761901525315	5.30736324891472
"112733-06-9"	"Zenarestat"	"C112733069"	1.31384277386306	0	1	0.263559885902874	3	1000	161.927399866052
"112-80-1"	"Oleic acid"	"C112801"	1.56988985849746	0.22073908320699	2	0.263559885902874	1.56988985849746	37.1441015927365	6.01464779127229
"112809-51-5"	"Letrozole"	"C112809515"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"113136-77-9"	"Cyclanilide"	"C113136779"	1.17149464534895	0.309013903657917	2	0.263559885902874	1.17149464534895	14.8420758035551	2.40333874348451
"1134-23-2"	"Cycloate"	"C1134232"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"113-48-4"	"MGK-264"	"C113484"	1.1472428657544	0.321441112062089	11	0.263559885902874	1.1472428657544	14.0359840412017	2.27281040035319
"113734-18-2"	"CP-114271"	"C113734182"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"114-07-8"	"Erythromycin"	"C114078"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"114-26-1"	"Propoxur"	"C114261"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"114311-32-9"	"Imazamox"	"C114311329"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1143-38-0"	"Anthralin"	"C1143380"	1.51405505369373	0	1	0.263559885902874	3	1000	161.927399866052
"114369-43-6"	"Fenbuconazole"	"C114369436"	1.51540190520715	0.715200277267533	11	0.263559885902874	1.51540190520715	32.7643763023168	5.30545026286704
"115-28-6"	"Chlorendic acid"	"C115286"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"115-29-7"	"Endosulfan"	"C115297"	1.41857301832408	0.301787231191524	29	0.263559885902874	1.41857301832408	26.216397802507	4.24515313001402
"115-32-2"	"Dicofol"	"C115322"	1.35277864280529	0.381000905539229	26	0.263559885902874	1.35277864280529	22.5309053321677	3.64837091706608
"115-39-9"	"Bromophenol blue"	"C115399"	1.33276626785422	0	1	0.263559885902874	3	1000	161.927399866052
"1156-19-0"	"Tolazamide"	"C1156190"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"115-77-5"	"Pentaerythritol"	"C115775"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"115-86-6"	"Triphenyl phosphate"	"C115866"	1.32825385042897	0.317302662250618	14	0.263559885902874	1.32825385042897	21.2938333286233	3.44805506408505
"115-95-7"	"Linalyl acetate"	"C115957"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"115-96-8"	"Tris(2-chloroethyl) phosphate"	"C115968"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"116-02-9"	"3,3,5-Trimethylcyclohexanol"	"C116029"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"116-06-3"	"Aldicarb"	"C116063"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"116255-48-2"	"Bromuconazole"	"C116255482"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"116-25-6"	"1-(Hydroxymethyl)-5,5-dimethylhydantoin"	"C116256"	2.01937182448458	0.0674998467236224	3	0.263559885902874	2.01937182448458	104.561504729021	16.9313725868522
"1166-52-5"	"Dodecyl gallate"	"C1166525"	1.61465323786045	0.1762914988678	19	0.263559885902874	1.61465323786045	41.1768611433461	6.66766205958748
"116714-46-6"	"Novaluron"	"C116714466"	0.987678562000485	0	1	0.263559885902874	3	1000	161.927399866052
"117-08-8"	"Tetrachlorophthalic anhydride"	"C117088"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"117337-19-6"	"Fluthiacet-methyl"	"C117337196"	2.04797521220506	0.0106607407643951	3	0.263559885902874	2.04797521220506	111.679950350503	18.0840439774267
"117-39-5"	"Quercetin"	"C117395"	1.09269696081584	0.252137642556135	13	0.263559885902874	1.09269696081584	12.3793248859782	2.00455189088356
"117428-22-5"	"Picoxystrobin"	"C117428225"	0.85183079091625	0.343079636194713	12	0.263559885902874	0.85183079091625	7.10936465818318	1.1512009337992
"117718-60-2"	"Thiazopyr"	"C117718602"	1.39979107270685	0.170300539567519	9	0.263559885902874	1.39979107270685	25.1067832171076	4.06547612534685
"117-79-3"	"2-Aminoanthraquinone"	"C117793"	1.03870753034854	0.108653960637726	3	0.263559885902874	1.03870753034854	10.9321990439652	1.77022256600742
"117-80-6"	"Dichlone"	"C117806"	1.30941551011892	0.416067980595504	18	0.263559885902874	1.30941551011892	20.3899194504562	3.3016866400906
"117-81-7"	"Di(2-ethylhexyl) phthalate"	"C117817"	0.963558482197003	0.407803393419236	9	0.263559885902874	0.963558482197003	9.195142884776	1.4889455787286
"117-84-0"	"Dioctyl phthalate"	"C117840"	1.03324726958061	0	1	0.263559885902874	3	1000	161.927399866052
"117-99-7"	"2-Hydroxybenzophenone"	"C117997"	1.96206932566376	0	1	0.263559885902874	3	1000	161.927399866052
"118134-30-8"	"Spiroxamine"	"C118134308"	1.28422403346975	0.771825229153621	6	0.263559885902874	1.28422403346975	19.2408402348139	3.11561923046152
"118-47-8"	"1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-"	"C118478"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"118-52-5"	"1,3-Dichloro-5,5-dimethylhydantoin"	"C118525"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"118-55-8"	"Phenyl salicylate"	"C118558"	1.85161136740049	0.0717621499873189	3	0.263559885902874	1.85161136740049	71.0577362067086	11.5061944643201
"118-56-9"	"3,3,5-Trimethylcyclohexyl salicylate"	"C118569"	1.92838676767492	0	1	0.263559885902874	3	1000	161.927399866052
"118-58-1"	"Benzyl salicylate"	"C118581"	1.9165385210713	0	1	0.263559885902874	3	1000	161.927399866052
"118-71-8"	"Maltol"	"C118718"	1.21025329723701	0	1	0.263559885902874	3	1000	161.927399866052
"118-79-6"	"2,4,6-Tribromophenol"	"C118796"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"118-82-1"	"4,4'-Methylenebis(2,6-di-t-butylphenol)"	"C118821"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1189-08-8"	"1,3-Butyleneglycol dimethacrylate"	"C1189088"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"118-93-4"	"2-Hydroxyacetophenone"	"C118934"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"119-07-3"	"Octyl decyl phthalate"	"C119073"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1191-50-0"	"Sodium myristyl sulfate"	"C1191500"	1.5576258908011	0.327313569163242	15	0.263559885902874	1.5576258908011	36.1098671635002	5.8471768992941
"119168-77-3"	"Tebufenpyrad"	"C119168773"	1.31940024781166	0.281202369209939	21	0.263559885902874	1.31940024781166	20.8641284508536	3.37847407051803
"1192-52-5"	"4,5-Dichloro-3H-1,2-dithiol-3-one"	"C1192525"	1.59909626628896	0.0987414793084145	8	0.263559885902874	1.59909626628896	39.7279601231829	6.43304528472919
"119-36-8"	"Methyl salicylate"	"C119368"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"119446-68-3"	"Difenoconazole"	"C119446683"	1.35044135862693	0.241847700884849	21	0.263559885902874	1.35044135862693	22.4099743074911	3.62878887067706
"1194-65-6"	"Dichlobenil"	"C1194656"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"119-47-1"	"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)"	"C119471"	1.3104757559307	0.0825771611738036	19	0.263559885902874	1.3104757559307	20.4397582984419	3.30975691515725
"119515-38-7"	"Icaridin"	"C119515387"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"119-53-9"	"Benzoin"	"C119539"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"119-61-9"	"Benzophenone"	"C119619"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"119-64-2"	"Tetralin"	"C119642"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"119-90-4"	"3,3'-Dimethoxybenzidine"	"C119904"	0.94316549707093	0.145587255594563	2	0.263559885902874	0.94316549707093	8.77335084486129	1.42064589042102
"119-93-7"	"3,3'-Dimethylbenzidine"	"C119937"	0.51680764840354	0.66655377234999	2	0.263559885902874	0.51680764840354	3.28706012792255	0.53226509971787
"120068-37-3"	"Fipronil"	"C120068373"	1.37411754210826	0.196057099133185	16	0.263559885902874	1.37411754210826	23.6656012198467	3.83210927179663
"120116-88-3"	"Cyazofamid"	"C120116883"	1.30086152636015	0.338264770862657	17	0.263559885902874	1.30086152636015	19.9922432064326	3.23729195990737
"120-12-7"	"Anthracene"	"C120127"	2.15982732199718	0.0933620190717458	2	0.263559885902874	2.15982732199718	144.48651697564	23.3963260095676
"120-14-9"	"Veratraldehyde"	"C120149"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-18-3"	"Naphthalene-2-sulfonic acid"	"C120183"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-32-1"	"Clorophene"	"C120321"	1.28783752680688	0.398287789892075	27	0.263559885902874	1.28783752680688	19.4015991177815	3.14165049838583
"120-36-5"	"Dichlorprop"	"C120365"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-46-7"	"1,3-Diphenyl-1,3-propanedione"	"C120467"	1.55884857745859	0	1	0.263559885902874	3	1000	161.927399866052
"120-47-8"	"Ethylparaben"	"C120478"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120511-73-1"	"Anastrozole"	"C120511731"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-51-4"	"Benzyl benzoate"	"C120514"	1.90909521699431	0	1	0.263559885902874	3	1000	161.927399866052
"120-55-8"	"Diethylene glycol dibenzoate"	"C120558"	1.16326585207691	0.23790911609178	3	0.263559885902874	1.16326585207691	14.5635030828768	2.35823018715147
"120-56-9"	"Triethylene glycol dibenzoate"	"C120569"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-61-6"	"Dimethyl terephthalate"	"C120616"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-65-0"	"2-((Dimethylamino)methyl)phenol"	"C120650"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-71-8"	"2-Methoxy-5-methylaniline"	"C120718"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-72-9"	"Indole"	"C120729"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-80-9"	"Catechol"	"C120809"	0.925048906643733	0.290546845459954	10	0.263559885902874	0.925048906643733	8.41489897925111	1.36260271184562
"120-82-1"	"1,2,4-Trichlorobenzene"	"C120821"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-83-2"	"2,4-Dichlorophenol"	"C120832"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-92-3"	"Cyclopentanone"	"C120923"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"120-95-6"	"2,4-Bis(2-methylbutan-2-yl)phenol"	"C120956"	1.3095161086484	0.389424431516692	32	0.263559885902874	1.3095161086484	20.3946430506463	3.30245152038739
"121-00-6"	"2-tert-Butyl-4-methoxyphenol"	"C121006"	1.69867505609623	0.274450727575273	3	0.263559885902874	1.69867505609623	49.9660543572776	8.09087326363975
"12108-13-3"	"Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-"	"C12108133"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"121-14-2"	"2,4-Dinitrotoluene"	"C121142"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"121-32-4"	"3-Ethoxy-4-hydroxybenzaldehyde"	"C121324"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"121-33-5"	"4-Hydroxy-3-methoxybenzaldehyde"	"C121335"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"121-39-1"	"Ethyl 3-phenylglycidate"	"C121391"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1214-39-7"	"N-Benzyladenine"	"C1214397"	1.95067590955193	0	1	0.263559885902874	3	1000	161.927399866052
"121552-61-2"	"Cyprodinil"	"C121552612"	1.35647028864592	0.414789440733484	14	0.263559885902874	1.35647028864592	22.7232417361894	3.67951545086889
"121-69-7"	"N,N-Dimethylaniline"	"C121697"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"121-75-5"	"Malathion"	"C121755"	0.958325528376771	0.0530556674635432	3	0.263559885902874	0.958325528376771	9.08501248305169	1.47111244913118
"121-79-9"	"Propyl gallate"	"C121799"	0.931604848943414	0.113683664533933	7	0.263559885902874	0.931604848943414	8.54289068078594	1.38332807527959
"121-91-5"	"1,3-Benzenedicarboxylic acid"	"C121915"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1219-38-1"	"Octylparaben"	"C1219381"	1.60971989669203	0.159186942017603	11	0.263559885902874	1.60971989669203	40.7117617838925	6.5923497296318
"122008-85-9"	"Cyhalofop-butyl"	"C122008859"	1.92705266453625	0.106058002018666	2	0.263559885902874	1.92705266453625	84.5381353756339	13.6890404509007
"122-14-5"	"Fenitrothion"	"C122145"	1.29026589063439	0.266195028779561	8	0.263559885902874	1.29026589063439	19.5103872995546	3.15926628579651
"122-20-3"	"Triisopropanolamine"	"C122203"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"122-34-9"	"Simazine"	"C122349"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"122-39-4"	"Diphenylamine"	"C122394"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"122-40-7"	"Pentylcinnamaldehyde"	"C122407"	1.92923126296496	0	1	0.263559885902874	3	1000	161.927399866052
"122-42-9"	"Propham"	"C122429"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"122453-73-0"	"Chlorfenapyr"	"C122453730"	1.22930186960257	0.454236336311486	7	0.263559885902874	1.22930186960257	16.9551591091622	2.74550482886183
"122-51-0"	"Ethyl orthoformate"	"C122510"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"122-57-6"	"Methyl styryl ketone"	"C122576"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"122-66-7"	"1,2-Diphenylhydrazine"	"C122667"	1.67585217637793	0.476552361248477	2	0.263559885902874	1.67585217637793	47.408059191686	7.67666375760558
"122-78-1"	"Phenylacetaldehyde"	"C122781"	1.7214577985045	0	1	0.263559885902874	3	1000	161.927399866052
"122836-35-5"	"Sulfentrazone"	"C122836355"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"122-88-3"	"4-Chlorophenoxyacetic acid"	"C122883"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"122-99-6"	"2-Phenoxyethanol"	"C122996"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-00-2"	"4-Morpholinepropanamine"	"C123002"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-05-7"	"2-Ethylhexanal"	"C123057"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-07-9"	"4-Ethylphenol"	"C123079"	-1.48310923782024	0	1	0.263559885902874	3	1000	161.927399866052
"123-11-5"	"4-Methoxybenzaldehyde"	"C123115"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123122-55-4"	"Candoxatril"	"C123122554"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-17-1"	"2,6,8-Trimethyl-4-nonanol"	"C123171"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-25-1"	"Diethyl butanedioate"	"C123251"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123312-89-0"	"Pymetrozine"	"C123312890"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-31-9"	"Hydroquinone"	"C123319"	1.25478881964526	0.44870356970966	12	0.263559885902874	1.25478881964526	17.9799640746887	2.91144883229935
"123-33-1"	"Maleic hydrazide"	"C123331"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123343-16-8"	"Pyrithiobac-sodium"	"C123343168"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-35-3"	"Myrcene"	"C123353"	1.72735173882559	0	1	0.263559885902874	3	1000	161.927399866052
"123-42-2"	"Diacetone alcohol"	"C123422"	1.41281786623875	0.402936830854909	2	0.263559885902874	1.41281786623875	25.8712770191899	4.18926861893175
"123-66-0"	"Ethyl hexanoate"	"C123660"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-77-3"	"Azodicarbonamide"	"C123773"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-92-2"	"3-Methylbutyl acetate"	"C123922"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-96-6"	"2-Octanol"	"C123966"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"123-99-9"	"Nonanedioic acid"	"C123999"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124-04-9"	"Hexanedioic acid"	"C124049"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124-07-2"	"Octanoic acid"	"C124072"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124-09-4"	"1,6-Hexanediamine"	"C124094"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124-13-0"	"Octanal"	"C124130"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124-18-5"	"Decane"	"C124185"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1241-94-7"	"2-Ethylhexyl diphenyl phosphate"	"C1241947"	1.40175817895024	0.062872225672532	2	0.263559885902874	1.40175817895024	25.2207605532661	4.08393217903467
"124-19-6"	"Nonanal"	"C124196"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124-22-1"	"1-Dodecanamine"	"C124221"	2.09123472850029	0.376377734602758	2	0.263559885902874	2.09123472850029	123.377148476208	19.9781408556401
"12427-38-2"	"Maneb"	"C12427382"	1.14832210872372	0.255039693423582	8	0.263559885902874	1.14832210872372	14.070907521423	2.2784654686997
"124378-77-4"	"Enadoline"	"C124378774"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124-40-3"	"Dimethylamine"	"C124403"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124495-18-7"	"Quinoxyfen"	"C124495187"	1.2712760053664	0.117955724432464	18	0.263559885902874	1.2712760053664	18.6756620034846	3.02410138900147
"124-68-5"	"2-Amino-2-methylpropan-1-ol"	"C124685"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124-76-5"	"Isoborneol"	"C124765"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"124-94-7"	"Triamcinolone"	"C124947"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"125116-23-6"	"Metconazole"	"C125116236"	1.76735105063469	0	1	0.263559885902874	3	1000	161.927399866052
"125-12-2"	"Isobornyl acetate"	"C125122"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"125225-28-7"	"Ipconazole"	"C125225287"	1.74788522588848	0.099500876465067	15	0.263559885902874	1.74788522588848	55.9609689892569	9.06161420241512
"125401-92-5"	"Bispyribac-sodium"	"C125401925"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"125-84-8"	"Aminoglutethimide"	"C125848"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"126-00-1"	"Diphenolic acid"	"C126001"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1260-17-9"	"Carminic acid"	"C1260179"	0.631982639113459	0	1	0.263559885902874	3	1000	161.927399866052
"126-06-7"	"3-Bromo-1-chloro-5,5-dimethylhydantoin"	"C126067"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"126-11-4"	"2-(Hydroxymethyl)-2-nitro-1,3-propanediol"	"C126114"	1.19755332015757	0.157587077287659	3	0.263559885902874	1.19755332015757	15.7598950171681	2.55195882229198
"126-14-7"	"Sucrose octaacetate"	"C126147"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"126-30-7"	"2,2-Dimethylpropane-1,3-diol"	"C126307"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"126-72-7"	"Tris(2,3-dibromopropyl) phosphate"	"C126727"	1.65530710058826	0	1	0.263559885902874	3	1000	161.927399866052
"126-73-8"	"Tributyl phosphate"	"C126738"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"126833-17-8"	"Fenhexamid"	"C126833178"	1.42001297259869	0.256454578510044	4	0.263559885902874	1.42001297259869	26.3034656052141	4.25925179291844
"126-86-3"	"2,4,7,9-Tetramethyl-5-decyne-4,7-diol"	"C126863"	0.089416706514578	0	1	0.263559885902874	3	1000	161.927399866052
"126-92-1"	"Sodium ethasulfate"	"C126921"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"126-98-7"	"Methacrylonitrile"	"C126987"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"127-07-1"	"Hydroxyurea"	"C127071"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"127-19-5"	"N,N-Dimethylacetamide"	"C127195"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"127-25-3"	"Methyl abietate"	"C127253"	1.69767469300991	0.285863578725129	2	0.263559885902874	1.69767469300991	49.8510939438332	8.07225802280318
"127308-82-1"	"Zamifenacin"	"C127308821"	1.14925106674006	0.179535560853139	13	0.263559885902874	1.14925106674006	14.1010374738532	2.2833443335548
"127-39-9"	"Sodium 1,4-diisobutyl sulfosuccinate"	"C127399"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"127-41-3"	"alpha-Ionone"	"C127413"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"127-47-9"	"Retinol acetate"	"C127479"	1.66959581712578	0	1	0.263559885902874	3	1000	161.927399866052
"127-51-5"	"alpha-Isomethylionone"	"C127515"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"128-04-1"	"Sodium dimethyldithiocarbamate"	"C128041"	0.834995434574644	0.709201991528269	13	0.263559885902874	0.834995434574644	6.83904457848235	1.10742870616166
"128-37-0"	"Butylated hydroxytoluene"	"C128370"	1.79521279168886	0.19280339130593	2	0.263559885902874	1.79521279168886	62.4040522327934	10.1049259191615
"128-39-2"	"2,6-Di-tert-butylphenol"	"C128392"	1.54752019953006	0.299654667440938	6	0.263559885902874	1.54752019953006	35.2793195049841	5.71268847648576
"128639-02-1"	"Carfentrazone-ethyl"	"C128639021"	1.48687255227476	0.363719959702247	2	0.263559885902874	1.48687255227476	30.6812148769116	4.96812934974992
"128-95-0"	"1,4-Diaminoanthraquinone"	"C128950"	1.57642971500493	0	1	0.263559885902874	3	1000	161.927399866052
"129-00-0"	"Pyrene"	"C129000"	1.10900452256587	0.105566749985492	3	0.263559885902874	1.10900452256587	12.8530004446516	2.08125294247963
"129-06-6"	"Sodium warfarin"	"C129066"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"129-17-9"	"Sulfan blue"	"C129179"	1.42703068711358	0.145462454847478	4	0.263559885902874	1.42703068711358	26.7319528914126	4.32863562504823
"129453-61-8"	"Fulvestrant"	"C129453618"	0.538801116143104	0.12731358710371	3	0.263559885902874	0.538801116143104	3.45780992193318	0.559914169889675
"129630-19-9"	"Pyraflufen-ethyl"	"C129630199"	1.07979254937459	0	1	0.263559885902874	3	1000	161.927399866052
"1300-72-7"	"Sodium xylenesulfonate"	"C1300727"	-2.37982315733142	0	1	0.263559885902874	3	1000	161.927399866052
"1300-73-8"	"Dimethylaniline"	"C1300738"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"130-14-3"	"Sodium 1-naphthalenesulfonate"	"C130143"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1303-11-3"	"Indium arsenide"	"C1303113"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"13071-79-9"	"Terbufos"	"C13071799"	1.44741616303889	0.021725789424397	4	0.263559885902874	1.44741616303889	28.0166473123527	4.53666285225347
"131-11-3"	"Dimethyl phthalate"	"C131113"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"131-17-9"	"Diallyl phthalate"	"C131179"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"131-18-0"	"Dipentyl phthalate"	"C131180"	1.5028244525995	0.12720976833746	10	0.263559885902874	1.5028244525995	31.829106883373	5.15400451768323
"131341-86-1"	"Fludioxonil"	"C131341861"	0.996469061685993	0.328017124091874	13	0.263559885902874	0.996469061685993	9.9190267545952	1.6061622115734
"131-55-5"	"2,2',4,4'-Tetrahydroxybenzophenone"	"C131555"	1.35894169228309	0.0508170066691023	3	0.263559885902874	1.35894169228309	22.8529196295316	3.70051385495791
"131-56-6"	"2,4-Dihydroxybenzophenone"	"C131566"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"131-57-7"	"2-Hydroxy-4-methoxybenzophenone"	"C131577"	0.515874487221426	0	1	0.263559885902874	3	1000	161.927399866052
"131-70-4"	"Monobutyl phthalate"	"C131704"	-1.99971545270939	0	1	0.263559885902874	3	1000	161.927399866052
"13171-00-1"	"1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone"	"C13171001"	1.56696944706844	0	1	0.263559885902874	3	1000	161.927399866052
"131807-57-3"	"Famoxadone"	"C131807573"	1.31534618494659	0.310904596116586	17	0.263559885902874	1.31534618494659	20.670271686011	3.34708334864063
"131860-33-8"	"Azoxystrobin"	"C131860338"	1.03262923376976	0.168882250428609	12	0.263559885902874	1.03262923376976	10.7802599605412	1.74561946529055
"13194-48-4"	"Ethoprop"	"C13194484"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"131983-72-7"	"Triticonazole"	"C131983727"	0.969074774104825	1.53458293152531	2	0.263559885902874	0.969074774104825	9.31268201593844	1.50797838462025
"1320-07-6"	"C.I. Acid Orange 24, monosodium salt"	"C1320076"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1321-74-0"	"Divinylbenzene"	"C1321740"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1323-19-9"	"Sodium 2,4,7-tri(propan-2-yl)naphthalene-1-sulfonate"	"C1323199"	1.86838009737895	0	1	0.263559885902874	3	1000	161.927399866052
"1323-38-2"	"Glyceryl monoricinoleate"	"C1323382"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"13254-34-7"	"2,6-Dimethyl-2-heptanol"	"C13254347"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"132-64-9"	"Dibenzofuran"	"C132649"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"132-65-0"	"Dibenzothiophene"	"C132650"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"13292-46-1"	"Rifampicin"	"C13292461"	1.36141917349833	0.253960230912524	6	0.263559885902874	1.36141917349833	22.9836592081067	3.72168417497614
"13301-61-6"	"C.I. Disperse Orange 37"	"C13301616"	1.51487591260496	0	1	0.263559885902874	3	1000	161.927399866052
"133-06-2"	"Captan"	"C133062"	1.14864995771892	0.537429658741472	21	0.263559885902874	1.14864995771892	14.0815336627865	2.2801861321413
"133-07-3"	"Folpet"	"C133073"	1.14124023068865	0.553516161241027	13	0.263559885902874	1.14124023068865	13.8433191264013	2.24161267165415
"1330-78-5"	"Tricresyl phosphate"	"C1330785"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1330-86-5"	"Diisooctyl adipate"	"C1330865"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"13311-84-7"	"Flutamide"	"C13311847"	1.48523254195175	0.370791289240714	8	0.263559885902874	1.48523254195175	30.5655730149777	4.94940376373129
"1333-39-7"	"Phenolsulfonic acid"	"C1333397"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1335-46-2"	"Ionone, methyl-"	"C1335462"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1338-43-8"	"Sorbitan, mono-(9Z)-9-octadecenoate"	"C1338438"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"133855-98-8"	"Epoxiconazole"	"C133855988"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"133-90-4"	"Chloramben"	"C133904"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"134002-60-1"	"CP-085958"	"C134002601"	1.46383323102728	0.588147488914443	6	0.263559885902874	1.46383323102728	29.0959961799289	4.71143900792846
"134-03-2"	"Sodium L-ascorbate"	"C134032"	1.50285801655715	0.586840043714238	2	0.263559885902874	1.50285801655715	31.8315668549422	5.15440285448317
"134-20-3"	"Methyl 2-aminobenzoate"	"C134203"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"134-31-6"	"8-Hydroxyquinoline sulfate"	"C134316"	-0.427385987908752	0.43745052646712	4	0.263559885902874	-0.427385987908752	0.37377823771621	0.0605249381599008
"134523-03-8"	"Atorvastatin calcium"	"C134523038"	0.529910904142842	0	1	0.263559885902874	3	1000	161.927399866052
"134605-64-4"	"Butafenacil"	"C134605644"	1.11295942076759	0.256986353055649	4	0.263559885902874	1.11295942076759	12.9705807193081	2.1002924106303
"134-62-3"	"DEET"	"C134623"	1.02388745992812	0	1	0.263559885902874	3	1000	161.927399866052
"13463-41-7"	"Zinc pyrithione"	"C13463417"	0.21159109797107	1.26657746799479	18	0.263559885902874	0.21159109797107	1.62776272069392	0.263579384960856
"135080-03-4"	"CP-100829"	"C135080034"	1.26238861300664	0.430849346873611	22	0.263559885902874	1.26238861300664	18.297367588448	2.96284515799074
"135158-54-2"	"Acibenzolar-S-methyl"	"C135158542"	1.02531003584853	0	1	0.263559885902874	3	1000	161.927399866052
"135-19-3"	"2-Naphthalenol"	"C135193"	1.04187845374813	0	1	0.263559885902874	3	1000	161.927399866052
"135-20-6"	"Cupferron"	"C135206"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"135410-20-7"	"Acetamiprid"	"C135410207"	0.776871056666014	0	1	0.263559885902874	3	1000	161.927399866052
"136-45-8"	"Dipropyl pyridine-2,5-dicarboxylate"	"C136458"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"136-60-7"	"Butyl benzoate"	"C136607"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"13674-84-5"	"Tris(2-chloroisopropyl)phosphate"	"C13674845"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"13674-87-8"	"Tris(1,3-dichloro-2-propyl)phosphate"	"C13674878"	1.51405505369373	0.384230394578687	9	0.263559885902874	1.51405505369373	32.662923496906	5.28902227387775
"136-77-6"	"4-Hexylresorcinol"	"C136776"	1.5832810954012	0.252017081328738	24	0.263559885902874	1.5832810954012	38.3072605336665	6.20299509420803
"13680-35-8"	"4,4'-Methylenebis(2,6-diethylaniline)"	"C13680358"	1.71211060442958	0.148437093379726	7	0.263559885902874	1.71211060442958	51.5359877719379	8.34508849943853
"13684-56-5"	"Desmedipham"	"C13684565"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"13684-63-4"	"Phenmedipham"	"C13684634"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"137-26-8"	"Thiram"	"C137268"	0.781815965947621	0.719875363995016	25	0.263559885902874	0.781815965947621	6.05084413439256	0.979797457676937
"137-30-4"	"Ziram"	"C137304"	0.92083199250275	0.558328107255719	35	0.263559885902874	0.92083199250275	8.33358736127795	1.34943613296833
"137-42-8"	"Metam-sodium"	"C137428"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"13755-29-8"	"Sodium tetrafluoroborate"	"C13755298"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"137-66-6"	"Ascorbyl palmitate"	"C137666"	1.53603393955547	0.0358740806654514	2	0.263559885902874	1.53603393955547	34.3584797560971	5.56357929025517
"138-22-7"	"Butyl lactate"	"C138227"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"138261-41-3"	"Imidacloprid"	"C138261413"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"13826-35-2"	"3-Phenoxybenzenemethanol"	"C13826352"	1.41771811744094	0	1	0.263559885902874	3	1000	161.927399866052
"138-86-3"	"Limonene"	"C138863"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"139-02-6"	"Sodium phenolate"	"C139026"	1.51672635675628	0	1	0.263559885902874	3	1000	161.927399866052
"139-13-9"	"Nitrilotriacetic acid"	"C139139"	1.37587823224961	0	1	0.263559885902874	3	1000	161.927399866052
"139149-55-6"	"SB202235"	"C139149556"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"139290-65-6"	"Volinanserin"	"C139290656"	2.01617261458015	0.121403008368036	3	0.263559885902874	2.01617261458015	103.794087357446	16.807106687261
"139340-56-0"	"Darbufelone mesylate"	"C139340560"	1.34689681147751	0.364148708830914	28	0.263559885902874	1.34689681147751	22.2278169418742	3.59929260209626
"139-40-2"	"Propazine"	"C139402"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"139-87-7"	"Ethyl diethanolamine"	"C139877"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"139-88-8"	"7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt"	"C139888"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"139-96-8"	"Dodecyl sulfate triethanolamine"	"C139968"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"140-08-9"	"Tris(2-chloroethyl) phosphite"	"C140089"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"140-10-3"	"Cinnamic acid"	"C140103"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"140-11-4"	"Benzyl acetate"	"C140114"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1401-55-4"	"Tannic acid"	"C1401554"	0.929076490498691	0.256358100635685	12	0.263559885902874	0.929076490498691	8.49330050868192	1.37529806765188
"140-31-8"	"1-(2-Aminoethyl)piperazine"	"C140318"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"140-38-5"	"4-Chlorophenylurea"	"C140385"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"140-56-7"	"Fenaminosulf"	"C140567"	1.60736856205438	0.439389396157767	4	0.263559885902874	1.60736856205438	40.491937893304	6.55675421860037
"140-64-7"	"Pentamidine isethionate"	"C140647"	1.053584912082	0.22885492766306	10	0.263559885902874	1.053584912082	11.3131856005542	1.8319147284998
"140-66-9"	"4-(1,1,3,3-Tetramethylbutyl)phenol"	"C140669"	1.44461871952885	0.593495776875221	31	0.263559885902874	1.44461871952885	27.836762206453	4.50753452478051
"140-67-0"	"Estragole"	"C140670"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"140-95-4"	"Dimethylolurea"	"C140954"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"141-04-8"	"Diisobutyl adipate"	"C141048"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"141112-29-0"	"Isoxaflutole"	"C141112290"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"141-22-0"	"9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-"	"C141220"	1.51545230085572	0	1	0.263559885902874	3	1000	161.927399866052
"141-32-2"	"Butyl acrylate"	"C141322"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"141-43-5"	"Ethanolamine"	"C141435"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"141517-21-7"	"Trifloxystrobin"	"C141517217"	0.646958374679857	0.289845598272001	13	0.263559885902874	0.646958374679857	4.43566127925114	0.718255097635662
"141-66-2"	"Dicrotophos"	"C141662"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"141-79-7"	"4-Methylpent-3-en-2-one"	"C141797"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"142-04-1"	"Aniline hydrochloride"	"C142041"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"142-16-5"	"Bis(2-ethylhexyl) maleate"	"C142165"	1.20180025875574	0	1	0.263559885902874	3	1000	161.927399866052
"142-18-7"	"1-Monolaurin"	"C142187"	2.01853854273892	0	1	0.263559885902874	3	1000	161.927399866052
"142-31-4"	"Sodium octyl sulfate"	"C142314"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"14233-37-5"	"1,4-Bis(N-isopropylamino)anthraquinone"	"C14233375"	0.973427211724783	0	1	0.263559885902874	3	1000	161.927399866052
"142459-58-3"	"Flufenacet"	"C142459583"	1.40964895238734	0.389849634278317	4	0.263559885902874	1.40964895238734	25.6831892765306	4.15881205981625
"142-62-1"	"Hexanoic acid"	"C142621"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"142-87-0"	"Sodium decyl sulfate"	"C142870"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"143-07-7"	"Dodecanoic acid"	"C143077"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"143-08-8"	"1-Nonanol"	"C143088"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"143-22-6"	"2-[2-(2-Butoxyethoxy)ethoxy]ethanol"	"C143226"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"143390-89-0"	"Kresoxim-methyl"	"C143390890"	1.39903892637422	0	1	0.263559885902874	3	1000	161.927399866052
"1434-54-4"	"Pregnenolone carbonitrile"	"C1434544"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"143-50-0"	"Kepone"	"C143500"	1.38077871707549	0.611349489757678	32	0.263559885902874	1.38077871707549	24.0313803447855	3.89133893442326
"14351-66-7"	"Sodium abietate"	"C14351667"	1.66108694072306	0	1	0.263559885902874	3	1000	161.927399866052
"14371-10-9"	"(2E)-3-Phenylprop-2-enal"	"C14371109"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"143-74-8"	"Phenol red"	"C143748"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"144-49-0"	"Fluoroacetic acid"	"C144490"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"144550-36-7"	"Iodosulfuron-methyl-sodium"	"C144550367"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1445-75-6"	"Diisopropyl methylphosphonate"	"C1445756"	0.981062167845973	0.153431982712189	4	0.263559885902874	0.981062167845973	9.57331100327835	1.55018135886992
"144-62-7"	"Oxalic acid"	"C144627"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"145701-21-9"	"Diclosulam"	"C145701219"	1.32967197227555	0	1	0.263559885902874	3	1000	161.927399866052
"145-73-3"	"Endothal"	"C145733"	1.23610791467316	0.141905683519525	11	0.263559885902874	1.23610791467316	17.2229648273074	2.78886991247034
"145742-28-5"	"CP-122721"	"C145742285"	1.20611040079073	0.227609769853589	21	0.263559885902874	1.20611040079073	16.0734980099918	2.60273973951013
"1459-93-4"	"Dimethyl isophthalate"	"C1459934"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1461-22-9"	"Tributyltin chloride"	"C1461229"	-0.102697637031996	0.329553827819834	35	0.263559885902874	-0.102697637031996	0.789409526250761	0.127827032015277
"1461-25-2"	"Tetrabutyltin"	"C1461252"	1.50316394489465	0.118562473053043	13	0.263559885902874	1.50316394489465	31.853997738715	5.15803502916921
"147-24-0"	"Diphenhydramine hydrochloride"	"C147240"	1.72551447508529	0.515819707229663	2	0.263559885902874	1.72551447508529	53.1513714624979	8.60666338023694
"14765-30-1"	"2-sec-Butylcyclohexanone"	"C14765301"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1477-55-0"	"1,3-Benzenedimethanamine"	"C1477550"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"147-81-9"	"Arabinose"	"C147819"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1478-61-1"	"Bisphenol AF"	"C1478611"	1.42846855327209	0.337491960284571	22	0.263559885902874	1.42846855327209	26.8206039589122	4.34299066190378
"14816-18-3"	"Phoxim"	"C14816183"	1.71243842417121	0	1	0.263559885902874	3	1000	161.927399866052
"148-24-3"	"8-Hydroxyquinoline"	"C148243"	0.436987661328213	0.389904486218056	14	0.263559885902874	0.436987661328213	2.73519101612377	0.442902369377906
"148477-71-8"	"Spirodiclofen"	"C148477718"	1.34256724862353	0.0702391758902279	19	0.263559885902874	1.34256724862353	22.0073245716465	3.56358884589498
"148-79-8"	"Thiabendazole"	"C148798"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1490-04-6"	"Menthol"	"C1490046"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"14901-07-6"	"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one"	"C14901076"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"149062-75-9"	"PharmaGSID_47259"	"C149062759"	-0.967047408144948	0	1	0.263559885902874	3	1000	161.927399866052
"149-30-4"	"2-Mercaptobenzothiazole"	"C149304"	1.51556434747485	0.124380086908531	2	0.263559885902874	1.51556434747485	32.7766336882723	5.30743506950397
"149-57-5"	"2-Ethylhexanoic acid"	"C149575"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"149877-41-8"	"Bifenazate"	"C149877418"	1.07236285753754	0.80529477774186	2	0.263559885902874	1.07236285753754	11.8130721785961	1.91286006231006
"149979-41-9"	"Tepraloxydim"	"C149979419"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"150-13-0"	"4-Aminobenzoic acid"	"C150130"	1.48457275012074	0	1	0.263559885902874	3	1000	161.927399866052
"15046-75-0"	"Sodium 2-methylbenzenesulfonate"	"C15046750"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"150-68-5"	"Monuron"	"C150685"	0.868121835415082	0	1	0.263559885902874	3	1000	161.927399866052
"150-76-5"	"4-Methoxyphenol"	"C150765"	1.94408243604661	0	1	0.263559885902874	3	1000	161.927399866052
"150-78-7"	"Hydroquinone dimethyl ether"	"C150787"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"151-05-3"	"Dimethylbenzylcarbinyl acetate"	"C151053"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"151-21-3"	"Sodium dodecyl sulfate"	"C151213"	1.69366268875859	0.268590440567832	7	0.263559885902874	1.69366268875859	49.3926910945348	7.9980300413251
"15214-89-8"	"2-Acrylamido-2-methyl-1-propanesulfonic acid"	"C15214898"	1.33380717547393	0	1	0.263559885902874	3	1000	161.927399866052
"15299-99-7"	"Napropamide"	"C15299997"	0.784784483240516	0.532645486039926	7	0.263559885902874	0.784784483240516	6.09234492229324	0.986517572354086
"15307-79-6"	"Diclofenac sodium"	"C15307796"	1.29384083223613	0.392131743076886	5	0.263559885902874	1.29384083223613	19.6716519680225	3.18537945425178
"15310-01-7"	"Benodanil"	"C15310017"	1.8186577966737	0	1	0.263559885902874	3	1000	161.927399866052
"153233-91-1"	"Etoxazole"	"C153233911"	1.30165374172193	0.281162851099616	24	0.263559885902874	1.30165374172193	20.0287452048952	3.24320263360833
"153719-23-4"	"Thiamethoxam"	"C153719234"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1541-81-7"	"4-Dodecylmorpholine"	"C1541817"	1.93673719016514	0	1	0.263559885902874	3	1000	161.927399866052
"154-42-7"	"6-Thioguanine"	"C154427"	0.688607515649809	0.791246367897483	11	0.263559885902874	0.688607515649809	4.88210949710705	0.790547296727901
"15499-27-1"	"4-Butylchlorobenzene"	"C15499271"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"155569-91-8"	"Emamectin benzoate"	"C155569918"	0.682165025304517	0.404449064814834	35	0.263559885902874	0.682165025304517	4.81022094814559	0.778906570914429
"1559-34-8"	"3,6,9,12-Tetraoxahexadecan-1-ol"	"C1559348"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1559-35-9"	"2-(2-Ethylhexyloxy)ethanol"	"C1559359"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"155990-20-8"	"SR271425"	"C155990208"	1.1134355879325	0.217677310377659	21	0.263559885902874	1.1134355879325	12.9848096629504	2.10259646647714
"156052-68-5"	"Zoxamide"	"C156052685"	1.32910771538227	0.611395324003664	29	0.263559885902874	1.32910771538227	21.3357402473639	3.45484094247311
"156-10-5"	"4-Nitrosodiphenylamine"	"C156105"	1.51811339328188	0.188211910619533	10	0.263559885902874	1.51811339328188	32.9695783744836	5.33867810086014
"1563-38-8"	"2,3-Dihydro-2,2-dimethyl-7-benzofuranol"	"C1563388"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1563-66-2"	"Carbofuran"	"C1563662"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"156-43-4"	"4-Ethoxyaniline"	"C156434"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"156-60-5"	"(E)-1,2-Dichloroethylene"	"C156605"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1569-01-3"	"1-Propoxy-2-propanol"	"C1569013"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1569-02-4"	"1-Ethoxy-2-propanol"	"C1569024"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1570-64-5"	"4-Chloro-2-methylphenol"	"C1570645"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"15708-41-5"	"Ethylenediaminetetraacetic acid ferric sodium salt"	"C15708415"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"158081-99-3"	"CP-105696"	"C158081993"	1.24626789774591	0.273790902782276	19	0.263559885902874	1.24626789774591	17.630632695936	2.85488251044632
"1582-09-8"	"Trifluralin"	"C1582098"	1.27438447710337	0.26924634649445	10	0.263559885902874	1.27438447710337	18.8098129619701	3.04582410489857
"159138-81-5"	"Cariporide mesylate"	"C159138815"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1596-84-5"	"Daminozide"	"C1596845"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"15972-60-8"	"Alachlor"	"C15972608"	1.25614809679749	0.109457659487301	11	0.263559885902874	1.25614809679749	18.0363268463017	2.9205755093559
"16079-88-2"	"Bromo-3-chloro-5,5-dimethylhydantoin"	"C16079882"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1610-18-0"	"Prometon"	"C1610180"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"161050-58-4"	"Methoxyfenozide"	"C161050584"	1.51540190520715	0	1	0.263559885902874	3	1000	161.927399866052
"161326-34-7"	"Fenamidone"	"C161326347"	0.99404104229673	0.217695927418402	9	0.263559885902874	0.99404104229673	9.86372696781166	1.5972076608864
"16219-75-3"	"5-Ethylidene-2-norbornene"	"C16219753"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1625-91-8"	"4,4'-Di-tert-butylbiphenyl"	"C1625918"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"162706-14-1"	"UK-156819"	"C162706141"	1.33368900957741	0.223916047125462	3	0.263559885902874	1.33368900957741	21.5619984049729	3.49147833763322
"1632-73-1"	"Fenchol"	"C1632731"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1634-78-2"	"Malaoxon"	"C1634782"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"163520-33-0"	"Isoxadifen-ethyl"	"C163520330"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1638-22-8"	"4-Butylphenol"	"C1638228"	1.84442652170287	0	1	0.263559885902874	3	1000	161.927399866052
"16423-68-0"	"FD&C Red 3"	"C16423680"	1.39772204014471	0.0737064486773005	2	0.263559885902874	1.39772204014471	24.9874558711121	4.04615375847688
"1646-75-9"	"Aldicarb oxime"	"C1646759"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1646-87-3"	"Aldicarb sulfoxide"	"C1646873"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1646-88-4"	"Aldoxycarb"	"C1646884"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"165252-70-0"	"Dinotefuran"	"C165252700"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"16587-71-6"	"4-(tert-Pentyl)-cyclohexanone"	"C16587716"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"166412-78-8"	"Diisononyl cyclohexane-1,2-dicarboxylate"	"C166412788"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"16672-87-0"	"Ethephon"	"C16672870"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1671-75-6"	"Heptanophenone"	"C1671756"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"16752-77-5"	"Methomyl"	"C16752775"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1675-54-3"	"Bisphenol A diglycidyl ether"	"C1675543"	1.63547161439756	0.243296492799097	2	0.263559885902874	1.63547161439756	43.1987931849692	6.99506825779336
"16893-85-9"	"Sodium hexafluorosilicate"	"C16893859"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1689-84-5"	"Bromoxynil"	"C1689845"	1.17132833798128	0.16854457899898	8	0.263559885902874	1.17132833798128	14.8363933136538	2.40241859267004
"169590-42-5"	"Celecoxib"	"C169590425"	1.45082291689865	0.322607843520398	19	0.263559885902874	1.45082291689865	28.2372836798597	4.57238992555977
"1698-60-8"	"Chloridazon"	"C1698608"	1.51540190520715	0	1	0.263559885902874	3	1000	161.927399866052
"1702-17-6"	"Clopyralid"	"C1702176"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"171866-31-2"	"CP-283097"	"C171866312"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1724-39-6"	"Cyclododecanol"	"C1724396"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"173584-44-6"	"Indoxacarb"	"C173584446"	0.708676070176505	0.114110707905971	12	0.263559885902874	0.708676070176505	5.11300326645214	0.827935324443224
"17372-87-1"	"Eosin"	"C17372871"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1742-14-9"	"1,1-Bis(3,4-dimethylphenyl)ethane"	"C1742149"	1.8056726260468	0	1	0.263559885902874	3	1000	161.927399866052
"17465-86-0"	"gamma-Cyclodextrin"	"C17465860"	-4.1041008268412	0	1	0.263559885902874	3	1000	161.927399866052
"175013-18-0"	"Pyraclostrobin"	"C175013180"	0.984513118695317	0.303035705314545	15	0.263559885902874	0.984513118695317	9.64968460082963	1.56254833693982
"1760-24-3"	"N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine"	"C1760243"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1762-95-4"	"Thiocyanic acid, ammonium salt"	"C1762954"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1763-23-1"	"PFOS"	"C1763231"	1.49620816773191	0.522619511389617	12	0.263559885902874	1.49620816773191	31.3478794309587	5.07608060756962
"17696-62-7"	"Phenylparaben"	"C17696627"	1.76690554425741	0	1	0.263559885902874	3	1000	161.927399866052
"177785-47-6"	"PharmaGSID_47261"	"C177785476"	1.48167599935322	0	1	0.263559885902874	3	1000	161.927399866052
"17796-82-6"	"N-(Cyclohexylthio)phthalimide"	"C17796826"	1.7182144762579	0.109756560459519	9	0.263559885902874	1.7182144762579	52.2654237983945	8.46320417857127
"17804-35-2"	"Benomyl"	"C17804352"	0.948324755125461	0.130560154361271	13	0.263559885902874	0.948324755125461	8.878196543848	1.43762328184507
"17924-92-4"	"Zearalenone"	"C17924924"	1.4182558067933	0	1	0.263559885902874	3	1000	161.927399866052
"179465-71-5"	"CJ-013790"	"C179465715"	1.28693165628713	0.432818358172244	10	0.263559885902874	1.28693165628713	19.3611725859208	3.13510433519603
"180084-01-9"	"SB236057A"	"C180084019"	1.16594805552442	0.441329399382097	33	0.263559885902874	1.16594805552442	14.6537256228041	2.3728396884512
"1806-26-4"	"4-Octylphenol"	"C1806264"	1.42656836420009	0.263544086545812	17	0.263559885902874	1.42656836420009	26.7035108572859	4.32403008041518
"181274-15-7"	"Propoxycarbazone-sodium"	"C181274157"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"181274-17-9"	"Flucarbazone-sodium"	"C181274179"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"181640-09-5"	"SR144190"	"C181640095"	1.77428203156502	0.649149413104678	5	0.263559885902874	1.77428203156502	59.4678218280554	9.62946976431464
"18172-67-3"	"(-)-beta-Pinene"	"C18172673"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1825-21-4"	"Pentachloroanisole"	"C1825214"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1836-75-5"	"Nitrofen"	"C1836755"	1.51985925021099	0.502366314000938	8	0.263559885902874	1.51985925021099	33.1023823126502	5.36018269725943
"1843-05-6"	"Octabenzone"	"C1843056"	1.16165142489205	0.23954152939371	8	0.263559885902874	1.16165142489205	14.5094658577816	2.34948007979583
"184653-84-7"	"Carabersat"	"C184653847"	0.703083249515443	0	1	0.263559885902874	3	1000	161.927399866052
"1861-32-1"	"Chlorthal-dimethyl"	"C1861321"	1.51405505369373	0.685698187817648	3	0.263559885902874	1.51405505369373	32.662923496906	5.28902227387775
"1861-40-1"	"Benfluralin"	"C1861401"	1.23155487373499	0.279673433001243	10	0.263559885902874	1.23155487373499	17.0433465085602	2.75978478514729
"186392-65-4"	"Ingliforib"	"C186392654"	1.58902571996153	0.646629736357647	7	0.263559885902874	1.58902571996153	38.8173353867579	6.28559018890619
"1873-88-7"	"1,1,1,3,5,5,5-Heptamethyltrisiloxane"	"C1873887"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"188425-85-6"	"Boscalid"	"C188425856"	1.38427265501539	0.194412226334303	2	0.263559885902874	1.38427265501539	24.225494735291	3.9227713729544
"188489-07-8"	"Flufenpyr-ethyl"	"C188489078"	1.51464882374962	0	1	0.263559885902874	3	1000	161.927399866052
"189003-92-7"	"Trelanserin"	"C189003927"	1.05198930936291	0.957854205489735	4	0.263559885902874	1.05198930936291	11.2716970930991	1.82519660236328
"18924-66-8"	"2,2'-(Tetradecylimino)diethanol"	"C18924668"	1.56505476570123	0.123143767942876	15	0.263559885902874	1.56505476570123	36.7328618703524	5.94805681230499
"1897-45-6"	"Chlorothalonil"	"C1897456"	0.235513706859799	0.587119521656153	31	0.263559885902874	0.235513706859799	1.7199416238222	0.278505675066923
"18979-55-0"	"4-(Hexyloxy)phenol"	"C18979550"	1.64888665815394	0.0970320679283022	4	0.263559885902874	1.64888665815394	44.553995654174	7.21451266992376
"19044-88-3"	"Oryzalin"	"C19044883"	1.2195608441146	0.205467390328375	25	0.263559885902874	1.2195608441146	16.5790959164271	2.68460989387692
"1907-65-9"	"N-Butyl-p-toluenesulfonamide"	"C1907659"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1912-24-9"	"Atrazine"	"C1912249"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1918-00-9"	"Dicamba"	"C1918009"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1918-02-1"	"Picloram"	"C1918021"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1918-16-7"	"Propachlor"	"C1918167"	1.63532430049423	0.177727455487624	3	0.263559885902874	1.63532430049423	43.1841425183728	6.99269591344512
"1929-73-3"	"2,4-D-Butotyl"	"C1929733"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1929-77-7"	"Vernolate"	"C1929777"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1929-82-4"	"Nitrapyrin"	"C1929824"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1934-21-0"	"FD&C Yellow 5"	"C1934210"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1936-15-8"	"C.I. Acid Orange 10"	"C1936158"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"194098-25-4"	"CP-409092"	"C194098254"	1.69983014357317	0.192528627962984	2	0.263559885902874	1.69983014357317	50.0991253178823	8.11242109828815
"1948-33-0"	"tert-Butylhydroquinone"	"C1948330"	1.11036212571806	0.598515135016728	15	0.263559885902874	1.11036212571806	12.8932417469819	2.0877691119332
"19666-30-9"	"Oxadiazon"	"C19666309"	1.29071222141348	0.268210110118317	18	0.263559885902874	1.29071222141348	19.5304487163442	3.16251477885488
"196808-45-4"	"Farglitazar"	"C196808454"	1.36558797933764	0.341169591338123	34	0.263559885902874	1.36558797933764	23.2053423157601	3.75758074419269
"197077-55-7"	"UK-333747"	"C197077557"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"19774-82-4"	"Amiodarone hydrochloride"	"C19774824"	1.28714398254811	0.446308104137979	28	0.263559885902874	1.28714398254811	19.3706405635784	3.13663746020012
"19780-11-1"	"(2-Dodecenyl)succinic anhydride"	"C19780111"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"1987-50-4"	"4-Heptylphenol"	"C1987504"	1.40538763276165	0.133859310697322	10	0.263559885902874	1.40538763276165	25.4324168203319	4.11820512802598
"199119-58-9"	"Trifloxysulfuron-sodium"	"C199119589"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"199171-88-5"	"CP-401387"	"C199171885"	0.692430076563002	0.0963994153379757	11	0.263559885902874	0.692430076563002	4.9252703781539	0.797536225971746
"199584-38-8"	"1-Methoxy-4-tert-pentylcyclohexane"	"C199584388"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2008-41-5"	"Butylate"	"C2008415"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"200940-23-4"	"SB243213A"	"C200940234"	1.11586342228377	0.330168523689239	15	0.263559885902874	1.11586342228377	13.057601857249	2.11438351723046
"2016-57-1"	"1-Decanamine"	"C2016571"	2.01043820517381	0.582143751993388	2	0.263559885902874	2.01043820517381	102.432602079803	16.5866449162965
"20265-97-8"	"4-Methoxyaniline hydrochloride"	"C20265978"	1.58783955485415	0.109303048951604	2	0.263559885902874	1.58783955485415	38.7114603423169	6.26844611824914
"2031-67-6"	"Triethoxymethylsilane"	"C2031676"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"20325-40-0"	"3,3'-Dimethoxybenzidine dihydrochloride"	"C20325400"	1.36575229895631	0.24626622697865	8	0.263559885902874	1.36575229895631	23.2141239480651	3.75900273107842
"203942-49-8"	"UK-337312"	"C203942498"	1.31810563774947	0.438839829498511	33	0.263559885902874	1.31810563774947	20.8020261386114	3.36841800457098
"2043-57-4"	"1H,1H,2H,2H-Perfluorooctyl iodide"	"C2043574"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2044-64-6"	"N,N-Dimethylacetoacetamide"	"C2044646"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2058-46-0"	"Oxytetracycline hydrochloride"	"C2058460"	1.19234020906327	0.120776840531797	2	0.263559885902874	1.19234020906327	15.571849908729	2.52150916682489
"2058-94-8"	"Perfluoroundecanoic acid"	"C2058948"	1.43239156377906	0.186740370965024	14	0.263559885902874	1.43239156377906	27.0639737644332	4.38239890171771
"205-99-2"	"Benzo(b)fluoranthene"	"C205992"	1.30784967508142	0.330546709246706	3	0.263559885902874	1.30784967508142	20.316536609137	3.289803947401
"206-44-0"	"Fluoranthene"	"C206440"	1.45137467865094	0.265463435298454	7	0.263559885902874	1.45137467865094	28.2731813372163	4.57820273987682
"207736-05-8"	"CI-1029"	"C207736058"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"20780-48-7"	"3,7-Dimethyloctan-3-yl acetate"	"C20780487"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2078-54-8"	"Propofol"	"C2078548"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"20830-75-5"	"Digoxin"	"C20830755"	-1.3612398397684	0.318740490188569	8	0.263559885902874	-1.3612398397684	0.0435271428010106	0.00704823705736597
"208-96-8"	"Acenaphthylene"	"C208968"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2104-64-5"	"EPN"	"C2104645"	1.37260010010458	0.337926430515649	6	0.263559885902874	1.37260010010458	23.5830569686543	3.81874309582716
"210631-68-8"	"Topramezone"	"C210631688"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"210826-40-7"	"CP-456773"	"C210826407"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"21087-64-9"	"Metribuzin"	"C21087649"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"210880-92-5"	"Clothianidin"	"C210880925"	0.431761654466223	0	1	0.263559885902874	3	1000	161.927399866052
"2110-18-1"	"2-(3-Phenylpropyl)pyridine"	"C2110181"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"21145-77-7"	"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"	"C21145777"	1.8941377701992	0.040040416623791	3	0.263559885902874	1.8941377701992	78.3678207700735	12.6898974504667
"2122-70-5"	"Ethyl 1-naphthaleneacetate"	"C2122705"	1.51202733683154	0	1	0.263559885902874	3	1000	161.927399866052
"21245-02-3"	"2-Ethylhexyl 4-(dimethylamino)benzoate"	"C21245023"	1.93594197600102	0	1	0.263559885902874	3	1000	161.927399866052
"2144-53-8"	"Tridecafluorohexylethyl methacrylate"	"C2144538"	1.00807376449122	0.11073818065467	6	0.263559885902874	1.00807376449122	10.1876440949433	1.64965871905491
"214535-77-0"	"CP-457677"	"C214535770"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"215297-27-1"	"UK-343664"	"C215297271"	1.48366775376619	0.691162915116143	2	0.263559885902874	1.48366775376619	30.4556416476079	4.93160286324938
"2155-70-6"	"Tributyltin methacrylate"	"C2155706"	-0.281332401588092	0.584066540383169	35	0.263559885902874	-0.281332401588092	0.523199835069698	0.0847203889031833
"21564-17-0"	"2-(Thiocyanomethylthio)benzothiazole"	"C21564170"	0.867756662529813	0.6111660667819	21	0.263559885902874	0.867756662529813	7.3749089433659	1.19419982944813
"2164-17-2"	"Fluometuron"	"C2164172"	1.51540190520715	0	1	0.263559885902874	3	1000	161.927399866052
"21662-09-9"	"(4Z)-4-Decenal"	"C21662099"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"21725-46-2"	"Cyanazine"	"C21725462"	1.06712239967862	0	1	0.263559885902874	3	1000	161.927399866052
"2176-62-7"	"Pentachloropyridine"	"C2176627"	1.54430287305804	0.390813617368819	7	0.263559885902874	1.54430287305804	35.0189300752751	5.67052429318037
"219714-96-2"	"Penoxsulam"	"C219714962"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"219790-72-4"	"SB281832"	"C219790724"	0.73270717992551	0.679296318303037	2	0.263559885902874	0.73270717992551	5.40389845940615	0.875039226671799
"22047-49-0"	"2-Ethylhexyl octadecanoate"	"C22047490"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"220860-50-4"	"CP-457920"	"C220860504"	2.14807772475571	0	1	0.263559885902874	3	1000	161.927399866052
"221246-12-4"	"Fandosentan potassium salt"	"C221246124"	1.78665228309325	0.304999749177051	7	0.263559885902874	1.78665228309325	61.1860310968802	9.90769492364118
"2212-67-1"	"Molinate"	"C2212671"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"221671-62-1"	"SR146131"	"C221671621"	0.705061901892049	0.326328164669284	31	0.263559885902874	0.705061901892049	5.0706297702813	0.821073894385045
"22224-92-6"	"Fenamiphos"	"C22224926"	1.97053839982834	0	1	0.263559885902874	3	1000	161.927399866052
"22248-79-9"	"Z-Tetrachlorvinphos"	"C22248799"	1.70960863825229	0	1	0.263559885902874	3	1000	161.927399866052
"22260-51-1"	"Bromocriptine mesylate"	"C22260511"	0.60078280677562	0	1	0.263559885902874	3	1000	161.927399866052
"2231-57-4"	"Thiocarbazide"	"C2231574"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2243-62-1"	"1,5-Naphthalenediamine"	"C2243621"	1.23843731301594	0.847726064446413	5	0.263559885902874	1.23843731301594	17.3155907581175	2.8038685886066
"2244-21-5"	"Potassium dichloroisocyanurate"	"C2244215"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"22781-23-3"	"Bendiocarb"	"C22781233"	1.38121657482609	0.315367775651241	6	0.263559885902874	1.38121657482609	24.0556211138784	3.89526417913323
"22839-47-0"	"Aspartame"	"C22839470"	1.65584912844641	0	1	0.263559885902874	3	1000	161.927399866052
"22915-73-7"	"Hexane-1,6-diyl dibenzoate"	"C22915737"	1.23774388244486	0.17568961320162	3	0.263559885902874	1.23774388244486	17.2879653109285	2.79939527177314
"23031-36-9"	"Prallethrin"	"C23031369"	1.35167418121774	0.241593775560204	14	0.263559885902874	1.35167418121774	22.4736794055344	3.63910447156142
"2303-17-5"	"Tri-allate"	"C2303175"	1.46882565697207	0.134554841873092	16	0.263559885902874	1.46882565697207	29.4323986340815	4.76591178263795
"23089-26-1"	"Levomenol"	"C23089261"	1.84739870463086	0	1	0.263559885902874	3	1000	161.927399866052
"230954-09-3"	"CP-544439"	"C230954093"	1.84390337857433	0.126532776692045	3	0.263559885902874	1.84390337857433	69.8077079271051	11.3037806352449
"2310-17-0"	"Phosalone"	"C2310170"	1.32626526621474	0.297453811957949	10	0.263559885902874	1.32626526621474	21.1965542129386	3.43230290982095
"23103-98-2"	"Pirimicarb"	"C23103982"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2312-35-8"	"Propargite"	"C2312358"	0.997854842573322	0.457652663260183	21	0.263559885902874	0.997854842573322	9.95072771300203	1.61129546534148
"23135-22-0"	"Oxamyl"	"C23135220"	1.51540190520715	0.366578117528799	5	0.263559885902874	1.51540190520715	32.7643763023168	5.30545026286704
"23184-66-9"	"Butachlor"	"C23184669"	1.33584186563403	0.145227937054754	19	0.263559885902874	1.33584186563403	21.669149487784	3.50882903386565
"2321-07-5"	"Fluorescein"	"C2321075"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"23386-52-9"	"Dicyclohexyl sodium sulfosuccinate"	"C23386529"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"23422-53-9"	"Formetanate hydrochloride"	"C23422539"	1.51540190520715	0.50104963536967	7	0.263559885902874	1.51540190520715	32.7643763023168	5.30545026286704
"2353-45-9"	"FD&C Green No. 3"	"C2353459"	1.50769751116486	0.0619190833980494	2	0.263559885902874	1.50769751116486	32.1882607775638	5.21216137392132
"23564-05-8"	"Thiophanate-methyl"	"C23564058"	1.28266092041524	0.223152763204227	6	0.263559885902874	1.28266092041524	19.1717130628135	3.10442564723941
"23564-06-9"	"Thiophanate"	"C23564069"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"23593-75-1"	"Clotrimazole"	"C23593751"	1.40239542426505	0.434817458209354	34	0.263559885902874	1.40239542426505	25.2577944303135	4.08992897845191
"23779-32-0"	"1-[3-(Triethoxysilyl)propyl]urea"	"C23779320"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2385-85-5"	"Mirex"	"C2385855"	-0.811183585093433	0.572874348404598	3	0.263559885902874	-0.811183585093433	0.154460136716223	0.0250113283214128
"2386-87-0"	"UT-632"	"C2386870"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2390-60-5"	"Basic Blue 7"	"C2390605"	1.36327608202848	0.348278607765873	18	0.263559885902874	1.36327608202848	23.0821405955655	3.73763100998255
"2392-39-4"	"Dexamethasone sodium phosphate"	"C2392394"	1.11279834921476	0.367507083327589	3	0.263559885902874	1.11279834921476	12.965771069884	2.09951359660479
"23950-58-5"	"Propyzamide"	"C23950585"	1.176119169195	1.29436491550885	2	0.263559885902874	1.176119169195	15.000964013037	2.4290670981153
"2396-68-1"	"4-tert-Butylbenzenethiol"	"C2396681"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2409-55-4"	"2-tert-Butyl-4-methylphenol"	"C2409554"	1.71979464993942	0.153742927844408	4	0.263559885902874	1.71979464993942	52.4559371052991	8.49405350299822
"24157-81-1"	"2,6-Diisopropylnaphthalene"	"C24157811"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"24169-02-6"	"Econazole nitrate"	"C24169026"	1.68491777425912	0.205675785283733	19	0.263559885902874	1.68491777425912	48.4080707052477	7.83859302183274
"2416-94-6"	"2,3,6-Trimethylphenol"	"C2416946"	0.945856041753978	0.0865616036865046	2	0.263559885902874	0.945856041753978	8.82787229036666	1.42947440632864
"2425-06-1"	"Captafol"	"C2425061"	0.905805291844407	0.64022217311197	31	0.263559885902874	0.905805291844407	8.05017445123116	1.30354381735598
"2425-77-6"	"2-Hexyl-1-decanol"	"C2425776"	1.68928788596299	0	1	0.263559885902874	3	1000	161.927399866052
"2426-08-6"	"Butyl glycidyl ether"	"C2426086"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"24307-26-4"	"Mepiquat chloride"	"C24307264"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2432-87-3"	"Dioctyl succinate"	"C2432873"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2433-14-9"	"4-Cyclohexylcyclohexanol"	"C2433149"	1.7312932331249	0	1	0.263559885902874	3	1000	161.927399866052
"2440-22-4"	"2-(2H-Benzotriazol-2-yl)-4-methylphenol"	"C2440224"	1.62859227320351	0	1	0.263559885902874	3	1000	161.927399866052
"2445-77-4"	"2-Methylbutyl isovalerate"	"C2445774"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2451-62-9"	"Triglycidyl isocyanurate"	"C2451629"	1.14603452378149	0.159554605777122	14	0.263559885902874	1.14603452378149	13.9969858571205	2.26649552580542
"24549-06-2"	"2-Ethyl-6-methylaniline"	"C24549062"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2457-01-4"	"Barium bis(2-ethylhexanoate)"	"C2457014"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"24602-86-6"	"Tridemorph"	"C24602866"	1.52213042943024	0.747445382050759	4	0.263559885902874	1.52213042943024	33.275947423198	5.38828764431789
"2465-27-2"	"Auramine hydrochloride"	"C2465272"	1.31663020495031	0.228096980381714	2	0.263559885902874	1.31663020495031	20.7314751258269	3.35699386251287
"2467-02-9"	"Bisphenol F"	"C2467029"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"24800-44-0"	"Tripropylene glycol"	"C24800440"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"24851-98-7"	"Methyl dihydrojasmonate"	"C24851987"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2491-38-5"	"2-Bromo-4-hydroxyacetophenone"	"C2491385"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2492-26-4"	"Sodium 2-mercaptobenzothiolate"	"C2492264"	-1.53571948466272	4.48992765260883	4	0.263559885902874	-1.53571948466272	0.0291259778793025	0.00471629386655158
"249296-43-3"	"CJ-013610"	"C249296433"	0.793524971667368	0.348155516360361	8	0.263559885902874	0.793524971667368	6.21619989494553	1.00657308603615
"25057-89-0"	"Bentazone"	"C25057890"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"25155-18-4"	"Methylbenzethonium chloride"	"C25155184"	1.41028851257564	0.179720910168713	19	0.263559885902874	1.41028851257564	25.7210392763823	4.16494101187717
"25155-30-0"	"Sodium dodecylbenzenesulfonate"	"C25155300"	1.6015334178726	0.395742314049155	15	0.263559885902874	1.6015334178726	39.9515301827372	6.46924740316072
"25168-05-2"	"Chlorotoluene"	"C25168052"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"25265-71-8"	"Dipropylene glycol"	"C25265718"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2528-16-7"	"Monobenzyl phthalate"	"C2528167"	1.06159716376216	0	1	0.263559885902874	3	1000	161.927399866052
"25322-69-4"	"Polypropylene glycol"	"C25322694"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"253450-09-8"	"Besonprodil"	"C253450098"	0.877787060838878	0.235372853550953	6	0.263559885902874	0.877787060838878	7.54722088737884	1.22210185450801
"25360-10-5"	"tert-Nonanethiol"	"C25360105"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"25496-72-4"	"Glyceryl monooleate"	"C25496724"	1.67178399021997	0	1	0.263559885902874	3	1000	161.927399866052
"25498-49-1"	"Tripropylene glycol monomethyl ether"	"C25498491"	-0.246189877539566	0	1	0.263559885902874	3	1000	161.927399866052
"2550-40-5"	"Dicyclohexyl disulfide"	"C2550405"	1.62796152865566	0.460627977946377	11	0.263559885902874	1.62796152865566	42.4581951306448	6.87514514051077
"2554-06-5"	"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"	"C2554065"	1.88955647553755	0.119081130409559	2	0.263559885902874	1.88955647553755	77.5454776733769	12.5567375710209
"25550-98-5"	"Diisodecylphenyl phosphite"	"C25550985"	1.91053805126198	0	1	0.263559885902874	3	1000	161.927399866052
"25606-41-1"	"Propamocarb hydrochloride"	"C25606411"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"25638-17-9"	"Butylnaphthalenesulfonic acid sodium salt"	"C25638179"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"25812-30-0"	"Gemfibrozil"	"C25812300"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2593-15-9"	"Etridiazole"	"C2593159"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"25956-17-6"	"Allura Red C.I.16035"	"C25956176"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"26002-80-2"	"Phenothrin"	"C26002802"	1.36455347784977	0	1	0.263559885902874	3	1000	161.927399866052
"26027-38-3"	"Polyoxyethylene(10)nonylphenyl ether"	"C26027383"	1.15499496499255	0.137836178109103	4	0.263559885902874	1.15499496499255	14.2887739267773	2.31374400923688
"26040-51-7"	"Bis(2-ethylhexyl) tetrabromophthalate"	"C26040517"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2610-11-9"	"C.I. Direct Red 81 disodium salt"	"C2610119"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"26172-55-4"	"5-Chloro-2-methyl-3(2H)-isothiazolone"	"C26172554"	1.24972675746848	0.681054629115562	10	0.263559885902874	1.24972675746848	17.7716093222237	2.87771048898296
"261947-38-0"	"CP-532623"	"C261947380"	0.354301642076758	0.545763903552804	2	0.263559885902874	0.354301642076758	2.26100562124509	0.366118761330745
"26225-79-6"	"Ethofumesate"	"C26225796"	1.26670737119369	0.335402348237419	3	0.263559885902874	1.26670737119369	18.4802299643836	2.99245558705934
"262376-75-0"	"HMR1426"	"C262376750"	1.33090865123687	0.110120973612875	9	0.263559885902874	1.33090865123687	21.4243991655318	3.46919725056697
"26264-06-2"	"Calcium dodecylbenzene sulfonate"	"C26264062"	1.43385701046321	0.0950066523482649	10	0.263559885902874	1.43385701046321	27.1554504044613	4.39721147618593
"2627-95-4"	"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"	"C2627954"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2634-33-5"	"1,2-Benzisothiazolin-3-one"	"C2634335"	1.21675672658203	0.43798785433831	25	0.263559885902874	1.21675672658203	16.4723941912486	2.66733196095754
"263553-33-9"	"GW473178E methyl benzene sulphonic acid"	"C263553339"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"26402-26-6"	"Glyceryl monooctanoate"	"C26402266"	1.36809894592128	0	1	0.263559885902874	3	1000	161.927399866052
"26447-10-9"	"Ammonium xylene sulfonate"	"C26447109"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"264618-44-2"	"SSR146977"	"C264618442"	0.752899497132108	0.297435868411366	11	0.263559885902874	0.752899497132108	5.66108267138275	0.916684397403769
"26530-20-1"	"Octhilinone"	"C26530201"	0.886874419630372	0.598686393421037	23	0.263559885902874	0.886874419630372	7.70680587238479	1.24794303618769
"26628-22-8"	"Sodium azide"	"C26628228"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"26644-46-2"	"Triforine"	"C26644462"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2675-77-6"	"Chloroneb"	"C2675776"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2687-25-4"	"2,3-Diaminotoluene"	"C2687254"	1.00424443373935	0.0153274560157393	3	0.263559885902874	1.00424443373935	10.098210832423	1.63517702339345
"2687-94-7"	"N-Octyl-2-pyrrolidone"	"C2687947"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2687-96-9"	"1-Dodecyl-2-pyrrolidinone"	"C2687969"	1.48910761504094	0.160095072048362	27	0.263559885902874	1.48910761504094	30.8395203665435	4.99376334607054
"26896-20-8"	"Neodecanoic acid"	"C26896208"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2694-54-4"	"Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate"	"C2694544"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2696-84-6"	"4-Propylaniline"	"C2696846"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2702-72-9"	"2,4-D sodium salt"	"C2702729"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"27090-63-7"	"N,N,N',N'-Tetrabutyl-1,6-hexanediamine"	"C27090637"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"27138-31-4"	"Di(propylene glycol) dibenzoate"	"C27138314"	1.38924930520392	0.199872321485945	2	0.263559885902874	1.38924930520392	24.5046952149146	3.96798158066119
"27176-87-0"	"Dodecylbenzenesulfonic acid"	"C27176870"	1.60153125119708	0.27007556048778	27	0.263559885902874	1.60153125119708	39.951330866858	6.46921512845864
"27178-16-1"	"Diisodecyl hexanedioate"	"C27178161"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"271-89-6"	"2,3-Benzofuran"	"C271896"	1.80909371939582	0	1	0.263559885902874	3	1000	161.927399866052
"27193-86-8"	"Dodecylphenol"	"C27193868"	1.40146227354818	0.0767017111844216	18	0.263559885902874	1.40146227354818	25.2035823072925	4.08115055032989
"27253-33-4"	"Calcium neodecanoate"	"C27253334"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"27306-78-1"	"Silwet L77"	"C27306781"	1.47946694490463	0.526855125603127	3	0.263559885902874	1.47946694490463	30.1624729129921	4.88413081233102
"27314-13-2"	"Norflurazon"	"C27314132"	0.993047454274496	0	1	0.263559885902874	3	1000	161.927399866052
"27323-41-7"	"Dodecylbenzene sulfonate triethanolamine (1:1)"	"C27323417"	1.25568370195842	0.362567791417935	6	0.263559885902874	1.25568370195842	18.017050754167	2.91745418187694
"27344-41-8"	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	"C27344418"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2756-56-1"	"Isobornyl propanoate"	"C2756561"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2761-24-2"	"Triethoxypentylsilane"	"C2761242"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2772-45-4"	"2,4-Bis(1-methyl-1-phenylethyl)phenol"	"C2772454"	1.27086612693163	0.426694971711509	33	0.263559885902874	1.27086612693163	18.6580446024703	3.02124864906283
"2782-57-2"	"Troclosene"	"C2782572"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2783-94-0"	"FD&C Yellow 6"	"C2783940"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2795-39-3"	"PFOS-K"	"C2795393"	1.57686978124067	0.180307704505135	7	0.263559885902874	1.57686978124067	37.7458996735905	6.11209538974936
"27955-94-8"	"4,4',4''-Ethane-1,1,1-triyltriphenol"	"C27955948"	1.34794224167016	0.213059636706397	16	0.263559885902874	1.34794224167016	22.2813880165531	3.60796722692704
"2807-30-9"	"2-Propoxyethanol"	"C2807309"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"28159-98-0"	"Cybutryne"	"C28159980"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"28249-77-6"	"Thiobencarb"	"C28249776"	1.4625530813326	0.5933421037562	4	0.263559885902874	1.4625530813326	29.0103575404631	4.69757176571169
"283594-90-1"	"Spiromesifen"	"C283594901"	1.63323282006841	0	1	0.263559885902874	3	1000	161.927399866052
"2835-95-2"	"5-Amino-2-methylphenol"	"C2835952"	1.05808951667682	0.00427154102280176	4	0.263559885902874	1.05808951667682	11.4311392888375	1.85101466254812
"28434-00-6"	"S-Bioallethrin"	"C28434006"	1.403577824533	0.162362456505418	18	0.263559885902874	1.403577824533	25.326654422121	4.1010792978801
"28631-66-5"	"C.I. Acid Blue 22"	"C28631665"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2870-32-8"	"C.I. Direct Yellow 12"	"C2870328"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"28804-88-8"	"Dimethylnaphthalene"	"C28804888"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"288104-79-0"	"Surinabant"	"C288104790"	0.914713106051933	0.315552918744199	19	0.263559885902874	0.914713106051933	8.2169965769005	1.33055689040574
"288-32-4"	"Imidazole"	"C288324"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"288-88-0"	"1H-1,2,4-Triazole"	"C288880"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2893-78-9"	"Sodium dichloroisocyanurate"	"C2893789"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"289716-94-5"	"CP-607366"	"C289716945"	1.3314136127335	0.215496321715663	13	0.263559885902874	1.3314136127335	21.4493241622342	3.47323329047466
"290352-28-2"	"CP-634384"	"C290352282"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"29091-21-2"	"Prodiamine"	"C29091212"	1.36830805921961	0.185590865704297	31	0.263559885902874	1.36830805921961	23.351138472596	3.78118913677959
"29122-68-7"	"Atenolol"	"C29122687"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"291305-06-1"	"UK-373911"	"C291305061"	1.32049828141073	0.399385454298174	29	0.263559885902874	1.32049828141073	20.916946298366	3.38702672723223
"2917-73-9"	"Dibutyl nonanedioate"	"C2917739"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2919-66-6"	"Melengestrol acetate"	"C2919666"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2921-88-2"	"Chlorpyrifos"	"C2921882"	1.21271539502522	0.157444292686926	10	0.263559885902874	1.21271539502522	16.3198211516259	2.64262620536177
"29232-93-7"	"Pirimiphos-methyl"	"C29232937"	1.4234106523886	0.452075472956328	10	0.263559885902874	1.4234106523886	26.510056442448	4.29270451002787
"2934-05-6"	"2,4-Diisopropylphenol"	"C2934056"	1.73336058690172	0.127715177178656	3	0.263559885902874	1.73336058690172	54.1203487980687	8.76356736071505
"29385-43-1"	"Tolyltriazole"	"C29385431"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"29387-86-8"	"Propylene glycol monobutyl ether"	"C29387868"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"29420-49-3"	"PFBS-K"	"C29420493"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2943-75-1"	"Triethoxyoctylsilane"	"C2943751"	1.42854407299617	0.270591068153193	9	0.263559885902874	1.42854407299617	26.8252682151061	4.34374593278157
"29590-42-9"	"Isooctyl acrylate"	"C29590429"	1.32360552193718	0.947189031814255	2	0.263559885902874	1.32360552193718	21.0671371186567	3.41134673624565
"2971-36-0"	"2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane"	"C2971360"	1.34661291797982	0.255753785579646	24	0.263559885902874	1.34661291797982	22.2132916119138	3.59694055318357
"298-00-0"	"Methyl parathion"	"C298000"	1.04529413482947	0.28452126511792	8	0.263559885902874	1.04529413482947	11.0992628105898	1.79727476734876
"298-02-2"	"Phorate"	"C298022"	2.01963996780525	0	1	0.263559885902874	3	1000	161.927399866052
"298-04-4"	"Disulfoton"	"C298044"	0.908578907810297	0	1	0.263559885902874	3	1000	161.927399866052
"298-07-7"	"Bis(2-ethylhexyl) phosphate"	"C298077"	1.49776221114437	0.108809312637168	9	0.263559885902874	1.49776221114437	31.4602530212353	5.09427697085673
"298198-52-4"	"SSR180711"	"C298198524"	1.45412861964598	0.727341202465922	2	0.263559885902874	1.45412861964598	28.4530364120419	4.60732620449603
"29836-26-8"	"Octyl beta-D-glucopyranoside"	"C29836268"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"298-46-4"	"Carbamazepine"	"C298464"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"2996-92-1"	"Trimethoxyphenylsilane"	"C2996921"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"300-76-5"	"Naled"	"C300765"	1.16746471573525	0.190061386703324	17	0.263559885902874	1.16746471573525	14.7049893983247	2.38114069832857
"3025-30-7"	"Ethyl (2E,4Z)-deca-2,4-dienoate"	"C3025307"	1.75904295831421	0.0914386397652052	8	0.263559885902874	1.75904295831421	57.4173253845768	9.29743820678756
"3026-63-9"	"Sodium tridecyl sulfate"	"C3026639"	1.75836305531129	0.0543888036117162	7	0.263559885902874	1.75836305531129	57.3275069049966	9.28289413392921
"302-79-4"	"trans-Retinoic acid"	"C302794"	1.54353694048697	0.2813668343887	9	0.263559885902874	1.54353694048697	34.9572242464719	5.66053242876569
"3033-77-0"	"N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride"	"C3033770"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"30399-84-9"	"Isooctadecanoic acid"	"C30399849"	1.92776828218025	0	1	0.263559885902874	3	1000	161.927399866052
"30516-87-1"	"3'-Azido-3'-deoxythymidine"	"C30516871"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"30560-19-1"	"Acephate"	"C30560191"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3056-17-5"	"Stavudine"	"C3056175"	0.954325622939695	0	1	0.263559885902874	3	1000	161.927399866052
"307-24-4"	"PFHxA"	"C307244"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"309-00-2"	"Aldrin"	"C309002"	1.38284464798433	0.238929567357538	20	0.263559885902874	1.38284464798433	24.1459695148521	3.90989406078494
"311-45-5"	"Paraoxon"	"C311455"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"31218-83-4"	"Propetamphos"	"C31218834"	1.52251208815065	0.810895146394764	2	0.263559885902874	1.52251208815065	33.3052032348501	5.39302496182968
"313994-79-5"	"MK-578"	"C313994795"	1.63550881696749	0.503146070158143	3	0.263559885902874	1.63550881696749	43.2024938420742	6.99566749557618
"314-40-9"	"Bromacil"	"C314409"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3147-75-9"	"Octrizole"	"C3147759"	1.17093417646165	0.515731142732772	9	0.263559885902874	1.17093417646165	14.8229340536	2.4002391696854
"31519-22-9"	"1,4-Dihydroxy-2-naphthoic acid"	"C31519229"	1.41536724208358	0.068761167140303	8	0.263559885902874	1.41536724208358	26.0235920395936	4.21393259414627
"3164-85-0"	"Potassium 2-ethylhexanoate"	"C3164850"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3194-55-6"	"1,2,5,6,9,10-Hexabromocyclododecane"	"C3194556"	1.42791327641387	0.13889766016507	5	0.263559885902874	1.42791327641387	26.7863337929776	4.33744138304102
"319-85-7"	"beta-Hexachlorocyclohexane"	"C319857"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"32388-55-9"	"1-Cedr-8-en-9-ylethanone"	"C32388559"	1.91450583949733	0	1	0.263559885902874	3	1000	161.927399866052
"3268-49-3"	"3-(Methylthio)propanal"	"C3268493"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"32809-16-8"	"Procymidone"	"C32809168"	1.30535273944392	0	1	0.263559885902874	3	1000	161.927399866052
"328-84-7"	"1,2-Dichloro-4-(trifluoromethyl)benzene"	"C328847"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3296-90-0"	"2,2-Bis(bromomethyl)-1,3-propanediol"	"C3296900"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"330198-91-9"	"Fully acetylated glycerol monoester on 12-Hydroxystearic acid (85%); Fully acetylated glycerol monostearate represents (10%)"	"C330198919"	1.23012422285321	0.436156588527642	3	0.263559885902874	1.23012422285321	16.9872947683795	2.75070847260188
"330-54-1"	"Diuron"	"C330541"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"330-55-2"	"Linuron"	"C330552"	1.60402233245441	0	1	0.263559885902874	3	1000	161.927399866052
"33089-61-1"	"Amitraz"	"C33089611"	1.35890142023466	0.230990181861633	19	0.263559885902874	1.35890142023466	22.850800580696	3.70017072288976
"331623-06-4"	"MK-547"	"C331623064"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3319-31-1"	"Tris(2-ethylhexyl) trimellitate"	"C3319311"	-2.39675411492093	0	1	0.263559885902874	3	1000	161.927399866052
"33228-44-3"	"4-Pentylaniline"	"C33228443"	1.11700597256276	0.230516616276312	7	0.263559885902874	1.11700597256276	13.0919992743025	2.11995340153604
"33228-45-4"	"4-Hexylaniline"	"C33228454"	1.56426343360832	0	1	0.263559885902874	3	1000	161.927399866052
"333-41-5"	"Diazinon"	"C333415"	1.69719730755786	0.31184829762632	3	0.263559885902874	1.69719730755786	49.7963266993232	8.06338970530184
"3337-71-1"	"Asulam"	"C3337711"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"334-48-5"	"Decanoic acid"	"C334485"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"335-67-1"	"PFOA"	"C335671"	2.09073515422797	0	1	0.263559885902874	3	1000	161.927399866052
"335-76-2"	"PFDA"	"C335762"	1.50632152120841	0.0934919149029027	14	0.263559885902874	1.50632152120841	32.0864390056354	5.1956736391432
"33629-47-9"	"Butralin"	"C33629479"	1.2903595480891	0.310107664710487	14	0.263559885902874	1.2903595480891	19.5145952513868	3.15994766849545
"33703-08-1"	"Hexanedioic acid, diisononyl ester"	"C33703081"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3380-34-5"	"Triclosan"	"C3380345"	1.40282374058192	0.51366649628015	34	0.263559885902874	1.40282374058192	25.2827168329509	4.09396459830939
"33820-53-0"	"Isopropalin"	"C33820530"	1.1685399620052	0.237668464949849	13	0.263559885902874	1.1685399620052	14.7414417946241	2.38704334008022
"3383-96-8"	"Temephos"	"C3383968"	1.75134584504478	0.235330670001681	2	0.263559885902874	1.75134584504478	56.4086680473086	9.13410894680791
"3391-86-4"	"1-Octen-3-ol"	"C3391864"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"33956-49-9"	"Codlelure"	"C33956499"	1.71987863913829	0	1	0.263559885902874	3	1000	161.927399866052
"34014-18-1"	"Tebuthiuron"	"C34014181"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"34256-82-1"	"Acetochlor"	"C34256821"	1.20946972520773	0.200399361168121	12	0.263559885902874	1.20946972520773	16.1983107108151	2.6229503356247
"34451-19-9"	"Butyl (2S)-2-hydroxypropanoate"	"C34451199"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"344930-95-6"	"SSR69071"	"C344930956"	0.885332653609626	0.308451744966068	9	0.263559885902874	0.885332653609626	7.67949485219358	1.24352063370043
"3452-97-9"	"3,5,5-Trimethyl-1-hexanol"	"C3452979"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"34590-94-8"	"Propanol, 1(or 2)-(2-methoxymethylethoxy)-"	"C34590948"	1.51405505369373	0	1	0.263559885902874	3	1000	161.927399866052
"349495-42-7"	"PharmaGSID_47263"	"C349495427"	1.0734172366036	0.15426552557105	8	0.263559885902874	1.0734172366036	11.8417867684345	1.91750974118081
"35256-85-0"	"Butam"	"C35256850"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"353280-07-6"	"CP-612372"	"C353280076"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"35367-38-5"	"Diflubenzuron"	"C35367385"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"35400-43-2"	"Sulprofos"	"C35400432"	-0.691623819029372	0	1	0.263559885902874	3	1000	161.927399866052
"3547-33-9"	"2-Hydroxyethyl octyl sulfide"	"C3547339"	1.71248456536216	0	1	0.263559885902874	3	1000	161.927399866052
"35554-44-0"	"Imazalil"	"C35554440"	1.51451976769125	0.448185614867344	9	0.263559885902874	1.51451976769125	32.6978929527257	5.29468478693336
"35575-96-3"	"Azamethiphos"	"C35575963"	1.24155878675653	0.328490831920075	15	0.263559885902874	1.24155878675653	17.440494186502	2.82409387599925
"35691-65-7"	"1,2-Dibromo-2,4-dicyanobutane"	"C35691657"	1.57250150816487	0.119272597387395	6	0.263559885902874	1.57250150816487	37.3681423055104	6.0509261213559
"361343-19-3"	"Elzasonan"	"C361343193"	1.38795790392229	0.348156256597735	30	0.263559885902874	1.38795790392229	24.4319372293486	3.95620006923901
"361377-29-9"	"Fluoxastrobin"	"C361377299"	1.09465054048886	0.106132652796519	13	0.263559885902874	1.09465054048886	12.4351360310907	2.01358924449517
"3622-84-2"	"N-Butylbenzenesulfonamide"	"C3622842"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3653-48-3"	"MCPA-sodium"	"C3653483"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"36631-30-8"	"Triisodecyl trimellitate"	"C36631308"	-2.46278113194256	0	1	0.263559885902874	3	1000	161.927399866052
"36653-82-4"	"1-Hexadecanol"	"C36653824"	0.688273881901851	0	1	0.263559885902874	3	1000	161.927399866052
"36734-19-7"	"Iprodione"	"C36734197"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3681-71-8"	"(3Z)-3-Hexenyl acetate"	"C3681718"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"368832-42-2"	"CP-728663"	"C368832422"	1.25939205283525	0.229514701919918	5	0.263559885902874	1.25939205283525	18.1715533231279	2.94247238114141
"3691-35-8"	"Chlorophacinone"	"C3691358"	1.48927618838289	0.0820720698077197	10	0.263559885902874	1.48927618838289	30.8514931875508	4.9957020738453
"3734-33-6"	"Denatonium benzoate"	"C3734336"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3734-67-6"	"C.I. Acid Red 1"	"C3734676"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3739-38-6"	"3-Phenoxybenzoic acid"	"C3739386"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"375-85-9"	"Perfluoroheptanoic acid"	"C375859"	1.06546762289303	0	1	0.263559885902874	3	1000	161.927399866052
"375-95-1"	"PFNA"	"C375951"	1.63594261865285	0.130776702869034	5	0.263559885902874	1.63594261865285	43.2456688732187	7.00265871610855
"37764-25-3"	"Dichlormid"	"C37764253"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3811-04-9"	"Potassium chlorate"	"C3811049"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3811-73-2"	"Sodium (2-pyridylthio)-N-oxide"	"C3811732"	0.942639429505785	0.479147847730913	22	0.263559885902874	0.942639429505785	8.76272998436177	1.41892608209599
"3825-26-1"	"PFOA, ammonium salt"	"C3825261"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3844-45-9"	"FD&C Blue No. 1"	"C3844459"	1.42032681275951	0.190653119543133	5	0.263559885902874	1.42032681275951	26.3224805079595	4.2623308266787
"3855-32-1"	"2,6,10-Trimethyl-2,6,10-triazaundecane"	"C3855321"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3871-99-6"	"PFHS-K"	"C3871996"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"3913-02-8"	"2-Butyloctan-1-ol"	"C3913028"	1.76002262559806	0	1	0.263559885902874	3	1000	161.927399866052
"39236-46-9"	"Imidazolidinyl urea"	"C39236469"	1.97872390485969	0	1	0.263559885902874	3	1000	161.927399866052
"3926-62-3"	"Sodium chloroacetate"	"C3926623"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"39300-45-3"	"Dinocap"	"C39300453"	1.31560186610026	0.192673048544017	14	0.263559885902874	1.31560186610026	20.6824444285838	3.34905444919468
"39515-41-8"	"Fenpropathrin"	"C39515418"	1.03515446125849	0.391954821735251	11	0.263559885902874	1.03515446125849	10.8431249223809	1.75579902510391
"39905-57-2"	"4-Hexyloxyaniline"	"C39905572"	1.84422004540227	0	1	0.263559885902874	3	1000	161.927399866052
"402910-27-4"	"UK-416244"	"C402910274"	1.37318659728984	0.270778688481065	8	0.263559885902874	1.37318659728984	23.6149264505056	3.82390363815843
"40487-42-1"	"Pendimethalin"	"C40487421"	1.1310827501524	0.169067652548466	13	0.263559885902874	1.1310827501524	13.5233021065508	2.18979314771688
"40649-36-3"	"4-Propylcyclohexanone"	"C40649363"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4065-45-6"	"Sulisobenzone"	"C4065456"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4098-71-9"	"Isophorone diisocyanate"	"C4098719"	1.51405505369373	0	1	0.263559885902874	3	1000	161.927399866052
"4107-98-6"	"N,N-Diisopropylaniline"	"C4107986"	-4.44593560353961	0	1	0.263559885902874	3	1000	161.927399866052
"41198-08-7"	"Profenofos"	"C41198087"	1.34118119554665	0.257110444037844	15	0.263559885902874	1.34118119554665	21.9372000427939	3.55223376327105
"4130-42-1"	"2,6-Di-tert-butyl-4-ethylphenol"	"C4130421"	1.91259211444642	0	1	0.263559885902874	3	1000	161.927399866052
"41372-08-1"	"Methyldopa sesquihydrate"	"C41372081"	1.28842620853286	0.331815398934411	3	0.263559885902874	1.28842620853286	19.4279156186888	3.14591186095134
"41372-20-7"	"Apomorphine hydrochloride hydrate"	"C41372207"	0.966536963116483	0.282244532320265	4	0.263559885902874	0.966536963116483	9.25842180863145	1.49919217033484
"41481-66-7"	"4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]"	"C41481667"	1.31039741033732	0.341469256951595	18	0.263559885902874	1.31039741033732	20.4360713518497	3.30915989748213
"4151-50-2"	"Sulfluramid"	"C4151502"	1.17236341936365	0.224813153742	9	0.263559885902874	1.17236341936365	14.871795995916	2.40815125695703
"4180-23-8"	"(E)-Anethole"	"C4180238"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"420-04-2"	"Cyanamide"	"C420042"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"42509-80-8"	"Isazofos"	"C42509808"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"427-51-0"	"Cyproterone acetate"	"C427510"	1.45205121683651	0.00683866628479736	5	0.263559885902874	1.45205121683651	28.3172592473058	4.58534016124913
"42874-03-3"	"Oxyfluorfen"	"C42874033"	1.01014043257641	0.151189932473802	11	0.263559885902874	1.01014043257641	10.2362393571588	1.65752762351126
"4291-63-8"	"Cladribine"	"C4291638"	-0.69440453531628	0.704370133196804	12	0.263559885902874	-0.69440453531628	0.202113566022855	0.0327277242237365
"43121-43-3"	"Triadimefon"	"C43121433"	1.01597169963385	0.179641465412904	3	0.263559885902874	1.01597169963385	10.3746080851786	1.67993331186229
"43222-48-6"	"Difenzoquat metilsulfate"	"C43222486"	0.492538524694861	0.599458061586081	5	0.263559885902874	0.492538524694861	3.10841162647818	0.503337012389015
"4342-36-3"	"Tributyltin benzoate"	"C4342363"	-0.0105029399243134	0.298210911867947	19	0.263559885902874	-0.0105029399243134	0.976106174729429	0.158058334867134
"4344-55-2"	"4-Butyloxyaniline"	"C4344552"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4376-18-5"	"Monomethyl phthalate"	"C4376185"	1.05474747067998	0.21062480854634	2	0.263559885902874	1.05474747067998	11.3435103249277	1.83682513226925
"4376-20-9"	"Mono(2-ethylhexyl) phthalate"	"C4376209"	1.02558052151629	0.00251597332630163	2	0.263559885902874	1.02558052151629	10.6067057657434	1.71751628579108
"439687-69-1"	"Nelivaptan"	"C439687691"	1.4670602990603	0.487127073558035	15	0.263559885902874	1.4670602990603	29.3130020961527	4.74657821169813
"4418-26-2"	"Sodium dehydroacetate"	"C4418262"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4437-85-8"	"Butylene carbonate"	"C4437858"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"444610-91-7"	"PharmaGSID_47315"	"C444610917"	1.08409398018247	0.299672003769552	34	0.263559885902874	1.08409398018247	12.1365145302984	1.96523424132777
"4449-51-8"	"Cyclopamine"	"C4449518"	1.19696408960247	0.149661160049358	3	0.263559885902874	1.19696408960247	15.7385272232543	2.54849879098264
"445295-04-5"	"CP-671305"	"C445295045"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4455-26-9"	"N-Methyldioctylamine"	"C4455269"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"446-72-0"	"Genistein"	"C446720"	1.1399011862848	0.216856937114672	13	0.263559885902874	1.1399011862848	13.8007022565695	2.23471183273185
"4468-42-2"	"3-Phenylhexane"	"C4468422"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"446-86-6"	"Azathioprine"	"C446866"	1.22197779715194	0.135029266449439	9	0.263559885902874	1.22197779715194	16.6716197847176	2.69959204329474
"451-40-1"	"1,2-Diphenylethanone"	"C451401"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4548-53-2"	"FD&C Red 4"	"C4548532"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4553-62-2"	"2-Methylpentanedinitrile"	"C4553622"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4574-04-3"	"Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride"	"C4574043"	1.43326257727865	0.190856984243054	15	0.263559885902874	1.43326257727865	27.1183072689631	4.39119698483184
"460-00-4"	"1-Bromo-4-fluorobenzene"	"C460004"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4602-84-0"	"Farnesol"	"C4602840"	1.64281327554854	0.0299837188363613	3	0.263559885902874	1.64281327554854	43.9352675607022	7.11432363852379
"461023-63-2"	"Aplaviroc hydrochloride"	"C461023632"	1.36199787047423	0.307390157829248	11	0.263559885902874	1.36199787047423	23.0143053251347	3.72664662102249
"461-58-5"	"Cyanoguanidine"	"C461585"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"463-40-1"	"Linolenic acid"	"C463401"	1.7920249939654	0.0266936516745931	3	0.263559885902874	1.7920249939654	61.9476725390014	10.0310255419941
"4638-48-6"	"5-Chlorosalicylanilide"	"C4638486"	1.08920326907185	0.593909316764673	5	0.263559885902874	1.08920326907185	12.2801386160252	1.98849091608766
"464-49-3"	"D-Camphor"	"C464493"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4707-47-5"	"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"	"C4707475"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"470-82-6"	"1,8-Cineol"	"C470826"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"4712-55-4"	"Diphenyl phosphite"	"C4712554"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"473289-62-2"	"Ilepatril"	"C473289622"	1.0919622178087	0	1	0.263559885902874	3	1000	161.927399866052
"474-86-2"	"Equilin"	"C474862"	1.45954075595756	0	1	0.263559885902874	3	1000	161.927399866052
"478149-53-0"	"PHA-00543613"	"C478149530"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"478263-98-8"	"AVE3295"	"C478263988"	1.19866452457746	0.0992020105302448	4	0.263559885902874	1.19866452457746	15.8002705893241	2.5584967337093
"480-40-0"	"Chrysin"	"C480400"	1.72672836624923	0	1	0.263559885902874	3	1000	161.927399866052
"480-63-7"	"2,4,6-Trimethylbenzoic acid"	"C480637"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"484-17-3"	"9-Phenanthrol"	"C484173"	0.941126591846659	0.323714283205588	34	0.263559885902874	0.941126591846659	8.73225866591812	1.41399194072992
"486-56-6"	"Cotinine"	"C486566"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"486-66-8"	"Daidzein"	"C486668"	1.29144347647919	0.018891982971921	3	0.263559885902874	1.29144347647919	19.5633613379375	3.16784423409225
"487-06-9"	"5,7-Dimethoxy-2H-chromen-2-one"	"C487069"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"489-01-0"	"2,6-Di-tert-butyl-4-methoxyphenol"	"C489010"	1.86697259582008	0	1	0.263559885902874	3	1000	161.927399866052
"4904-61-4"	"1,5,9-Cyclododecatriene"	"C4904614"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"491-80-5"	"Biochanin A"	"C491805"	1.25168947892986	0	1	0.263559885902874	3	1000	161.927399866052
"493-52-7"	"Methyl red"	"C493527"	1.78800527717826	0.109406559608072	8	0.263559885902874	1.78800527717826	61.3769463125519	9.93860932810976
"4940-11-8"	"2-Ethyl-3-hydroxy-4H-pyran-4-one"	"C4940118"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"49562-28-9"	"Fenofibrate"	"C49562289"	1.36041287318879	0.37862904751301	13	0.263559885902874	1.36041287318879	22.930465604153	3.71307067299843
"496-46-8"	"Glycoluril"	"C496468"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"496-72-0"	"3,4-Diaminotoluene"	"C496720"	0.795266312093842	0.411653698139873	6	0.263559885902874	0.795266312093842	6.24117430879431	1.01061712793386
"499-75-2"	"Isopropyl-o-cresol"	"C499752"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"499-83-2"	"2,6-Pyridinedicarboxylic acid"	"C499832"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"500-38-9"	"Nordihydroguaiaretic acid"	"C500389"	1.71568027496455	0.22575060254726	3	0.263559885902874	1.71568027496455	51.961331942819	8.41396337507749
"501027-49-2"	"PD-0333941"	"C501027492"	0.599031497719961	0.326211096457469	2	0.263559885902874	0.599031497719961	3.97220357300077	0.643208596314654
"50-14-6"	"Ergocalciferol"	"C50146"	1.74650259061893	0.128493450294566	6	0.263559885902874	1.74650259061893	55.7830929660007	9.03281120047072
"50-21-5"	"Lactic acid"	"C50215"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"50-22-6"	"Corticosterone"	"C50226"	1.4376952823161	0.0592952212061962	5	0.263559885902874	1.4376952823161	27.3965125289775	4.43624603921503
"50-27-1"	"Estriol"	"C50271"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"50-28-2"	"17beta-Estradiol"	"C50282"	1.01005326678488	0.193344830656904	11	0.263559885902874	1.01005326678488	10.2341850819866	1.65719498007402
"50-29-3"	"p,p'-DDT"	"C50293"	1.44705402411924	0.417371069098462	26	0.263559885902874	1.44705402411924	27.9932952094089	4.53288150694238
"50-35-1"	"Thalidomide"	"C50351"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"50-41-9"	"Clomiphene citrate"	"C50419"	1.38798562813718	0.406309870146723	33	0.263559885902874	1.38798562813718	24.4334969496003	3.95645263068387
"50471-44-8"	"Vinclozolin"	"C50471448"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"50-55-5"	"Reserpine"	"C50555"	1.29795864403322	0.25551772066108	15	0.263559885902874	1.29795864403322	19.8590579921702	3.21572562446126
"50594-66-6"	"Acifluorfen"	"C50594666"	0.908578907810297	0	1	0.263559885902874	3	1000	161.927399866052
"50-65-7"	"Niclosamide"	"C50657"	-0.464540039037934	0.474889628107412	23	0.263559885902874	-0.464540039037934	0.343131003961382	0.0555623112848944
"50-70-4"	"D-Glucitol"	"C50704"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"50-78-2"	"Aspirin"	"C50782"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"50-81-7"	"L-Ascorbic acid"	"C50817"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"50892-23-4"	"Pirinixic acid"	"C50892234"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"510-15-6"	"Chlorobenzilate"	"C510156"	1.50596184550625	0.210436493560421	22	0.263559885902874	1.50596184550625	32.0598765339428	5.191372447168
"51-03-6"	"Piperonyl butoxide"	"C51036"	1.07069160605659	0.215784606319806	9	0.263559885902874	1.07069160605659	11.767700484683	1.90551314188719
"51-05-8"	"Procaine hydrochloride"	"C51058"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"5116-94-9"	"Monotridecyl phosphate"	"C5116949"	1.52545755953742	0.0622216250355558	5	0.263559885902874	1.52545755953742	33.5318534591202	5.4297258433248
"51-21-8"	"5-Fluorouracil"	"C51218"	0.931597877518415	0.16357796030498	8	0.263559885902874	0.931597877518415	8.54275354884867	1.38330586986155
"51218-45-2"	"Metolachlor"	"C51218452"	1.33823319231206	0.461332515676107	4	0.263559885902874	1.33823319231206	21.7887939701917	3.52820275381024
"51229-78-8"	"Chloroallyl methenamine chloride"	"C51229788"	1.73950596255281	0	1	0.263559885902874	3	1000	161.927399866052
"51235-04-2"	"Hexazinone"	"C51235042"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"51-24-1"	"Tiratricol"	"C51241"	1.25561745914513	0.20255008735311	10	0.263559885902874	1.25561745914513	18.0143028281368	2.91700921735986
"512-42-5"	"Sodium methyl sulfate"	"C512425"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"512-56-1"	"Trimethyl phosphate"	"C512561"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"51-28-5"	"2,4-Dinitrophenol"	"C51285"	0.777561193973738	0	1	0.263559885902874	3	1000	161.927399866052
"51-30-9"	"Isoproterenol hydrochloride"	"C51309"	1.34009871829835	0.0396752955541099	3	0.263559885902874	1.34009871829835	21.8825897462194	3.54339085994082
"51338-27-3"	"Diclofop-methyl"	"C51338273"	1.08179484639431	0.0751076114394608	2	0.263559885902874	1.08179484639431	12.0724341835623	1.95485787739829
"5137-55-3"	"Methyltrioctylammonium chloride"	"C5137553"	1.26669738194018	0.256602438896727	19	0.263559885902874	1.26669738194018	18.4798049035397	2.99238675806209
"5138-18-1"	"Sulfosuccinic acid"	"C5138181"	-4.72771364842035	0	1	0.263559885902874	3	1000	161.927399866052
"5146-66-7"	"2,6-Octadienenitrile, 3,7-dimethyl-"	"C5146667"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"51-52-5"	"6-Propyl-2-thiouracil"	"C51525"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"5153-25-3"	"2-Ethylhexylparaben"	"C5153253"	1.63561607991347	0.153129531399991	12	0.263559885902874	1.63561607991347	43.2131654008072	6.99739551333433
"51580-86-0"	"Sodium dichloro-s-triazinetrione dihydrate"	"C51580860"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"51630-58-1"	"Fenvalerate"	"C51630581"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"51632-16-7"	"1-(Bromomethyl)-3-phenoxybenzene"	"C51632167"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"51707-55-2"	"Thidiazuron"	"C51707552"	1.62314582207124	0.553493507482143	4	0.263559885902874	1.62314582207124	41.9899949175606	6.79933069738931
"51-79-6"	"Urethane"	"C51796"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"52-01-7"	"Spironolactone"	"C52017"	1.38791037338658	0.0947040577092985	12	0.263559885902874	1.38791037338658	24.4292634686413	3.9557671141198
"520-18-3"	"Kaempferol"	"C520183"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"520-36-5"	"Apigenin"	"C520365"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"520-45-6"	"Dehydroacetic acid"	"C520456"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"521-18-6"	"5alpha-Dihydrotestosterone"	"C521186"	1.37932711685689	0.0572707087250768	6	0.263559885902874	1.37932711685689	23.951191153656	3.87835410720629
"5216-25-1"	"4-Chlorobenzotrichloride"	"C5216251"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"52225-20-4"	"dl-alpha-Tocopheryl acetate"	"C52225204"	1.55686924999746	0	1	0.263559885902874	3	1000	161.927399866052
"52315-07-8"	"Cypermethrin"	"C52315078"	0.968058930407415	0.259533807714367	9	0.263559885902874	0.968058930407415	9.29092448897442	1.50445524485145
"5234-68-4"	"Carboxin"	"C5234684"	-0.0829308371366035	0	1	0.263559885902874	3	1000	161.927399866052
"52-51-7"	"Bronopol"	"C52517"	1.26213423645744	0.165905830878997	17	0.263559885902874	1.26213423645744	18.2866535255614	2.96111025764552
"525-79-1"	"Kinetin"	"C525791"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"525-82-6"	"Flavone"	"C525826"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"52645-53-1"	"Permethrin"	"C52645531"	0.933235287458704	0.375144051050787	9	0.263559885902874	0.933235287458704	8.57502287904308	1.38853115859535
"526-75-0"	"2,3-Dimethylphenol"	"C526750"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"52-68-6"	"Trichlorfon"	"C52686"	1.57634721447308	0.647464703042635	6	0.263559885902874	1.57634721447308	37.7005090655728	6.1047454066147
"527-60-6"	"2,4,6-Trimethylphenol"	"C527606"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"527680-56-4"	"PHA-00568487"	"C527680564"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"52806-53-8"	"Hydroxyflutamide"	"C52806538"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"528-29-0"	"1,2-Dinitrobenzene"	"C528290"	1.41180046104654	0.401528274598205	10	0.263559885902874	1.41180046104654	25.8107402970981	4.17946606492701
"52-86-8"	"Haloperidol"	"C52868"	1.29455700987238	0.354379664243939	12	0.263559885902874	1.29455700987238	19.7041184636585	3.19063666947287
"52918-63-5"	"Deltamethrin"	"C52918635"	1.43279135539548	0.0133583371277419	2	0.263559885902874	1.43279135539548	27.0888990903877	4.38643499494032
"53-03-2"	"Prednisone"	"C53032"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"53112-28-0"	"Pyrimethanil"	"C53112280"	1.19795067375436	0.668156785872947	2	0.263559885902874	1.19795067375436	15.7743209813432	2.5542947811614
"5315-79-7"	"1-Hydroxypyrene"	"C5315797"	1.4175726074822	0.349195964429922	16	0.263559885902874	1.4175726074822	26.15607701714	4.23538554208166
"53-16-7"	"Estrone"	"C53167"	1.28073421323712	0.0513064511052664	2	0.263559885902874	1.28073421323712	19.0868479237785	3.09068365593619
"53-19-0"	"o,p'-DDD"	"C53190"	1.70546673898141	0.163584415749937	11	0.263559885902874	1.70546673898141	50.7535867233223	8.21839633198374
"532-02-5"	"Sodium 2-naphthalenesulfonate"	"C532025"	0.168533443702733	0	1	0.263559885902874	3	1000	161.927399866052
"53219-21-9"	"7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv."	"C53219219"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"532-27-4"	"2-Chloroacetophenone"	"C532274"	0.934350688734124	0.453321471690497	16	0.263559885902874	0.934350688734124	8.5970744702498	1.39210191542236
"532-32-1"	"Sodium benzoate"	"C532321"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"5329-14-6"	"Sulfamic acid"	"C5329146"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"533-23-3"	"2,4-D-ethyl ester"	"C533233"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"5333-42-6"	"2-Octyl-1-dodecanol"	"C5333426"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"533-74-4"	"Dazomet"	"C533744"	1.01919699587262	0.415942977272182	16	0.263559885902874	1.01919699587262	10.4519421155444	1.69245581032059
"534-13-4"	"N,N'-Dimethylthiourea"	"C534134"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"53-43-0"	"Dehydroepiandrosterone"	"C53430"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"534-52-1"	"2-Methyl-4,6-dinitrophenol"	"C534521"	1.51405505369373	0.471673092981149	7	0.263559885902874	1.51405505369373	32.662923496906	5.28902227387775
"5349-51-9"	"4-(2-Methylbutan-2-yl)cyclohexanol"	"C5349519"	2.12107908923965	0.169289232783733	2	0.263559885902874	2.12107908923965	132.153627685474	21.3992933139751
"53-70-3"	"Dibenz(a,h)anthracene"	"C53703"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"53-86-1"	"Indomethacin"	"C53861"	1.04894630934439	0.116378967328511	2	0.263559885902874	1.04894630934439	11.192994989347	1.81245257533871
"53894-23-8"	"Triisononyl trimellitate"	"C53894238"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"5392-40-5"	"3,7-Dimethyl-2,6-octadienal"	"C5392405"	1.10936154525178	0	1	0.263559885902874	3	1000	161.927399866052
"53939-28-9"	"(Z)-11-Hexadecenal"	"C53939289"	1.85709711182936	0	1	0.263559885902874	3	1000	161.927399866052
"5394-36-5"	"5-Ethyl-5-methylhydantoin"	"C5394365"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"540-18-1"	"Pentyl butyrate"	"C540181"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"5407-98-7"	"Cyclobutyl phenyl ketone"	"C5407987"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"540-88-5"	"tert-Butyl acetate"	"C540885"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"541-02-6"	"Decamethylcyclopentasiloxane"	"C541026"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"54-11-5"	"Nicotine"	"C54115"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"541-73-1"	"1,3-Dichlorobenzene"	"C541731"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"542-92-7"	"1,3-Cyclopentadiene"	"C542927"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"5437-45-6"	"Benzyl bromoacetate"	"C5437456"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"544-63-8"	"Tetradecanoic acid"	"C544638"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"544-76-3"	"Hexadecane"	"C544763"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"54593-83-8"	"Chlorethoxyfos"	"C54593838"	1.40252369567403	0.463314668949758	13	0.263559885902874	1.40252369567403	25.2652555690481	4.09113714124723
"54-62-6"	"4-Aminofolic acid"	"C54626"	-1.24468926892357	0.480043270540885	6	0.263559885902874	-1.24468926892357	0.0569260082075613	0.00921788049380391
"54-85-3"	"Isoniazid"	"C54853"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"548-62-9"	"Gentian Violet"	"C548629"	0.86123784181543	0.640601117857044	34	0.263559885902874	0.86123784181543	7.26503719009752	1.17640858212266
"54965-24-1"	"Tamoxifen citrate"	"C54965241"	1.09418557048211	0.454894242208342	34	0.263559885902874	1.09418557048211	12.4218296883947	2.01143458302068
"550-44-7"	"N-Methylphthalimide"	"C550447"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"55-18-5"	"N-Nitrosodiethylamine"	"C55185"	-1.96499906504911	0	1	0.263559885902874	3	1000	161.927399866052
"55219-65-3"	"Triadimenol"	"C55219653"	0.981471785517626	0.79175762550976	2	0.263559885902874	0.981471785517626	9.5823446138792	1.55164414794592
"552-30-7"	"Trimellitic anhydride"	"C552307"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"55283-68-6"	"Ethalfluralin"	"C55283686"	1.21011693045135	0.147332173093023	10	0.263559885902874	1.21011693045135	16.2224681605165	2.62686208864224
"55285-14-8"	"Carbosulfan"	"C55285148"	1.33092743572316	0.272980542649434	17	0.263559885902874	1.33092743572316	21.4253258524983	3.46934730657794
"55290-64-7"	"Dimethipin"	"C55290647"	1.70995037744166	0.210459709034896	4	0.263559885902874	1.70995037744166	51.2802787713651	8.30368220585343
"553-26-4"	"4,4'-Bipyridine"	"C553264"	1.51405505369373	0	1	0.263559885902874	3	1000	161.927399866052
"55335-06-3"	"Triclopyr"	"C55335063"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"5536-61-8"	"Sodium methacrylate"	"C5536618"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"553-70-8"	"Magnesium dibenzoate"	"C553708"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"55-38-9"	"Fenthion"	"C55389"	1.27830631193794	0.185226782771522	7	0.263559885902874	1.27830631193794	18.9804415742048	3.0734535524205
"55406-53-6"	"3-Iodo-2-propynyl-N-butylcarbamate"	"C55406536"	1.01190134236004	0.493063212002391	20	0.263559885902874	1.01190134236004	10.2778279264333	1.66426195239803
"55512-33-9"	"Pyridate"	"C55512339"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"55589-62-3"	"Acesulfame potassium"	"C55589623"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"556-52-5"	"Glycidol"	"C556525"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"556-61-6"	"Methyl isothiocyanate"	"C556616"	1.01992072743224	0.600289584530457	3	0.263559885902874	1.01992072743224	10.4693743120082	1.69527856056793
"556-67-2"	"Octamethylcyclotetrasiloxane"	"C556672"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"55814-41-0"	"Mepronil"	"C55814410"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"55934-93-5"	"Tripropylene glycol butyl ether"	"C55934935"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"55-98-1"	"Busulfan"	"C55981"	-4.84566557841438	0	1	0.263559885902874	3	1000	161.927399866052
"5598-13-0"	"Chlorpyrifos-methyl"	"C5598130"	1.37978277434726	0.199979608120815	7	0.263559885902874	1.37978277434726	23.9763336947183	3.88242537350653
"5598-15-2"	"Chlorpyrifos oxon"	"C5598152"	1.10589404603346	0.174063861429233	13	0.263559885902874	1.10589404603346	12.7612743654151	2.06639997696897
"56-04-2"	"6-Methyl-2-thiouracil"	"C56042"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"563-12-2"	"Ethion"	"C563122"	1.54820432873706	0.206785246631507	3	0.263559885902874	1.54820432873706	35.3349376025436	5.72169457040906
"56375-79-2"	"N,N-Dibutyl-N-methylbutan-1-aminium chloride"	"C56375792"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"56-38-2"	"Parathion"	"C56382"	1.23868486199395	0.307776701512133	5	0.263559885902874	1.23868486199395	17.3254635031151	2.8054672565336
"56-53-1"	"Diethylstilbestrol"	"C56531"	1.3222617198787	0.532806006989384	22	0.263559885902874	1.3222617198787	21.0020515378277	3.40080759737325
"56-55-3"	"Benz(a)anthracene"	"C56553"	1.10693632414292	0.859547854349605	6	0.263559885902874	1.10693632414292	12.791937361995	2.07136515627725
"56-72-4"	"Coumaphos"	"C56724"	0.91206744079558	0.254398472311927	10	0.263559885902874	0.91206744079558	8.16709186787367	1.32247595063196
"56-81-5"	"Glycerol"	"C56815"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"56-95-1"	"Chlorhexidine diacetate"	"C56951"	1.33313822686301	0.396196557851039	19	0.263559885902874	1.33313822686301	21.5346702923969	3.48705316742053
"5700-49-2"	"1,2-Ethanediamine dihydriodide"	"C5700492"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57-06-7"	"Allyl isothiocyanate"	"C57067"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57-09-0"	"Hexadecyltrimethylammonium bromide"	"C57090"	1.58242264325373	0.131574482487672	16	0.263559885902874	1.58242264325373	38.2316149252755	6.19074599752999
"57-10-3"	"Hexadecanoic acid"	"C57103"	0.1354499845536	2.63968189838165	2	0.263559885902874	0.1354499845536	1.36599775174452	0.221192464162862
"57-11-4"	"Octadecanoic acid"	"C57114"	1.4144784073385	0.19321400810392	9	0.263559885902874	1.4144784073385	25.9703861618365	4.20531710470347
"57-13-6"	"Urea"	"C57136"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57-14-7"	"1,1-Dimethylhydrazine"	"C57147"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"571-58-4"	"1,4-Dimethylnaphthalene"	"C571584"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57-30-7"	"Phenobarbital sodium"	"C57307"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57-41-0"	"5,5-Diphenylhydantoin"	"C57410"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57-50-1"	"Sucrose"	"C57501"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57-55-6"	"1,2-Propylene glycol"	"C57556"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"576-26-1"	"2,6-Dimethylphenol"	"C576261"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57-63-6"	"17alpha-Ethinylestradiol"	"C57636"	0.787291427483897	0.261443702314791	11	0.263559885902874	0.787291427483897	6.12761439135966	0.992228665774667
"577-11-7"	"Docusate sodium"	"C577117"	1.52884085335391	0.294042122253407	25	0.263559885902874	1.52884085335391	33.7940975483653	5.4721903468265
"57-74-9"	"Chlordane"	"C57749"	1.51952428952319	0.247240226507138	32	0.263559885902874	1.51952428952319	33.0768610998369	5.35605011362713
"57754-85-5"	"Clopyralid-olamine"	"C57754855"	1.51540190520715	0	1	0.263559885902874	3	1000	161.927399866052
"57-83-0"	"Progesterone"	"C57830"	1.09660809042746	0.55657229157694	11	0.263559885902874	1.09660809042746	12.4913129895488	2.02268583331067
"57837-19-1"	"Metalaxyl"	"C57837191"	1.08440645625491	0	1	0.263559885902874	3	1000	161.927399866052
"57-85-2"	"Testosterone propionate"	"C57852"	1.51333420075947	0.115937022950221	22	0.263559885902874	1.51333420075947	32.6087537213215	5.28025070296602
"57-91-0"	"17alpha-Estradiol"	"C57910"	1.08610412698881	0.155852263347265	10	0.263559885902874	1.08610412698881	12.1928190043744	1.97435147841573
"579-66-8"	"2,6-Diethylaniline"	"C579668"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57966-95-7"	"Cymoxanil"	"C57966957"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"57-97-6"	"7,12-Dimethylbenz(a)anthracene"	"C57976"	1.38766529852409	0.337044897568005	24	0.263559885902874	1.38766529852409	24.4154817843143	3.95353548181096
"58-08-2"	"Caffeine"	"C58082"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"58-14-0"	"Pyrimethamine"	"C58140"	1.39065423700288	0.266428956163692	6	0.263559885902874	1.39065423700288	24.5840956517035	3.98083868693864
"58-18-4"	"17-Methyltestosterone"	"C58184"	1.37918293978753	0.0814270105520188	3	0.263559885902874	1.37918293978753	23.9432411576123	3.87706678501798
"583-78-8"	"2,5-Dichlorophenol"	"C583788"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"58394-64-2"	"Benzyloctyl adipate"	"C58394642"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"584-13-4"	"4-Amino-1,2,4-triazole"	"C584134"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"58430-94-7"	"3,5,5-Trimethylhexyl acetate"	"C58430947"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"584-79-2"	"Allethrin"	"C584792"	1.41171678310652	0.33949326661012	17	0.263559885902874	1.41171678310652	25.8057676768774	4.17866086146415
"584-84-9"	"Toluene-2,4-diisocyanate"	"C584849"	1.08119799105326	0.130054463747081	3	0.263559885902874	1.08119799105326	12.0558543095473	1.95217314150893
"5850-86-2"	"C.I. Acid Orange 8, monosodium salt"	"C5850862"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"585-34-2"	"3-tert-Butylphenol"	"C585342"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"58-55-9"	"Theophylline"	"C58559"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"58-56-0"	"Pyridoxine hydrochloride"	"C58560"	-2.30512565178188	0	1	0.263559885902874	3	1000	161.927399866052
"586-62-9"	"Terpinolene"	"C586629"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"5870-93-9"	"Heptyl butanoate"	"C5870939"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"58-72-0"	"Triphenylethylene"	"C58720"	1.85764507148743	0	1	0.263559885902874	3	1000	161.927399866052
"587-65-5"	"2-Chloro-N-phenylacetamide"	"C587655"	1.60177387505813	0.259208481823325	7	0.263559885902874	1.60177387505813	39.9736563963177	6.47283024339468
"587-85-9"	"Diphenylmercury(II)"	"C587859"	1.73310355555254	0.129806817877848	3	0.263559885902874	1.73310355555254	54.0883278738974	8.75838229572268
"58846-77-8"	"Decyl beta-D-glucopyranoside"	"C58846778"	1.83253261517764	0	1	0.263559885902874	3	1000	161.927399866052
"58-85-5"	"Biotin"	"C58855"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"58-86-6"	"D-Xylose"	"C58866"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"58-89-9"	"Lindane"	"C58899"	1.48122558461252	0.438422482147935	2	0.263559885902874	1.48122558461252	30.284860993903	4.90394879604753
"58-93-5"	"Hydrochlorothiazide"	"C58935"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"589-68-4"	"Tetradecanoic acid, 2,3-dihydroxypropyl ester"	"C589684"	1.72478011376042	0	1	0.263559885902874	3	1000	161.927399866052
"5902-51-2"	"Terbacil"	"C5902512"	1.08998065697441	0	1	0.263559885902874	3	1000	161.927399866052
"59-05-2"	"Methotrexate"	"C59052"	-1.41491144281166	0.471910337560081	4	0.263559885902874	-1.41491144281166	0.0384670212329321	0.0062288647288409
"5915-41-3"	"Terbuthylazine"	"C5915413"	1.08304406333893	0.110269510268348	3	0.263559885902874	1.08304406333893	12.1072096656877	1.96048898079793
"59227-89-3"	"Laurocapram"	"C59227893"	1.50511387022832	0.190604923421002	3	0.263559885902874	1.50511387022832	31.9973395680888	5.18124599889174
"59-30-3"	"Folic acid"	"C59303"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"59-40-5"	"Sulfaquinoxaline"	"C59405"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"594-20-7"	"2,2-Dichloropropane"	"C594207"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"59-50-7"	"4-Chloro-3-methylphenol"	"C59507"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"59669-26-0"	"Thiodicarb"	"C59669260"	1.04109325708357	0.371940276167365	16	0.263559885902874	1.04109325708357	10.9924185690095	1.77997375711902
"59-67-6"	"Nicotinic acid"	"C59676"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"59756-60-4"	"Fluridone"	"C59756604"	1.8500319580539	0	1	0.263559885902874	3	1000	161.927399866052
"598-55-0"	"Methyl carbamate"	"C598550"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"59-87-0"	"Nitrofurazone"	"C59870"	1.23301456586413	0.111698668237892	3	0.263559885902874	1.23301456586413	17.1007266849789	2.76907620791863
"599-64-4"	"4-Cumylphenol"	"C599644"	1.44890444493865	0.305691851802893	21	0.263559885902874	1.44890444493865	28.1128221374482	4.55223619161376
"599-79-1"	"Sulfasalazine"	"C599791"	1.11715583450244	0	1	0.263559885902874	3	1000	161.927399866052
"60-09-3"	"4-Aminoazobenzene"	"C60093"	0.959429213838773	0.176076609510627	8	0.263559885902874	0.959429213838773	9.10812985702128	1.47485578538981
"60-12-8"	"2-Phenylethanol"	"C60128"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"60168-88-9"	"Fenarimol"	"C60168889"	1.10189863358919	0.164496503922023	11	0.263559885902874	1.10189863358919	12.6444118640138	2.04747673597521
"602-01-7"	"2,3-Dinitrotoluene"	"C602017"	1.3032089011289	0.492206511526019	5	0.263559885902874	1.3032089011289	20.1005944407936	3.25483699355971
"60207-90-1"	"Propiconazole"	"C60207901"	1.4535334888426	0.6128338605219	6	0.263559885902874	1.4535334888426	28.4140728003613	4.60101692816721
"60-33-3"	"Linoleic acid"	"C60333"	1.76605978457246	0.258313009702775	3	0.263559885902874	1.76605978457246	58.3525426309876	9.44887550380875
"603-35-0"	"Triphenylphosphine"	"C603350"	1.91081600775118	0	1	0.263559885902874	3	1000	161.927399866052
"60-35-5"	"Acetamide"	"C60355"	2.06263742420963	0	1	0.263559885902874	3	1000	161.927399866052
"604-75-1"	"Oxazepam"	"C604751"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"60-51-5"	"Dimethoate"	"C60515"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"605-45-8"	"Diisopropyl phthalate"	"C605458"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"60-54-8"	"Tetracycline"	"C60548"	1.26583804570225	0	1	0.263559885902874	3	1000	161.927399866052
"6055-19-2"	"Cyclophosphamide monohydrate"	"C6055192"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"60-56-0"	"Methimazole"	"C60560"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"60-57-1"	"Dieldrin"	"C60571"	1.09884367776981	0.220865554132502	11	0.263559885902874	1.09884367776981	12.5557794304821	2.03312471646962
"606-20-2"	"2,6-Dinitrotoluene"	"C606202"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6088-51-3"	"6-Hydroxy-2-naphthyl disulfide"	"C6088513"	1.70326792117153	0.298349536998657	2	0.263559885902874	1.70326792117153	50.4972724870108	8.17689203414916
"609-54-1"	"2,5-Dimethylbenzenesulfonic acid"	"C609541"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"611-20-1"	"Benzonitrile, 2-hydroxy-"	"C611201"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"611-70-1"	"Isopropyl phenyl ketone"	"C611701"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"612-82-8"	"3,3'-Dimethylbenzidine dihydrochloride"	"C612828"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"614-45-9"	"tert-Butyl perbenzoate"	"C614459"	1.3156081531999	0.0509144039478004	5	0.263559885902874	1.3156081531999	20.6827438418521	3.34910293240671
"6149-03-7"	"Sodium 4-octylbenzenesulfonate"	"C6149037"	-2.41024322812074	0	1	0.263559885902874	3	1000	161.927399866052
"6152-33-6"	"Sodium 2-phenylphenate tetrahydrate"	"C6152336"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6153-64-6"	"Oxytetracycline dihydrate"	"C6153646"	1.02421259723447	0	1	0.263559885902874	3	1000	161.927399866052
"616-45-5"	"2-Pyrrolidinone"	"C616455"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"61-73-4"	"Methylene blue"	"C61734"	1.58607087069154	0.329123208368688	9	0.263559885902874	1.58607087069154	38.5541267391977	6.24296949698449
"61791-12-6"	"Cremophor(R) EL"	"C61791126"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"61-82-5"	"Amitrole"	"C61825"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"618-45-1"	"3-Isopropylphenol"	"C618451"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6190-65-4"	"Deethylatrazine"	"C6190654"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"620-17-7"	"3-Ethylphenol"	"C620177"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"621-64-7"	"N-Nitrosodipropylamine"	"C621647"	0.532686914546469	0	1	0.263559885902874	3	1000	161.927399866052
"62-23-7"	"4-Nitrobenzoic acid"	"C62237"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"622-97-9"	"4-Methylstyrene"	"C622979"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"62-38-4"	"Phenylmercuric acetate"	"C62384"	-0.0972806964227988	0.365788309863588	35	0.263559885902874	-0.0972806964227988	0.799317467238561	0.129431399137458
"625-55-8"	"Isopropyl formate"	"C625558"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"62-56-6"	"Thiourea"	"C62566"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6259-76-3"	"Hexyl salicylate"	"C6259763"	2.07094276541461	0	1	0.263559885902874	3	1000	161.927399866052
"626-43-7"	"3,5-Dichloroaniline"	"C626437"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"62-73-7"	"Dichlorvos"	"C62737"	1.18043901139058	0.239471532663947	7	0.263559885902874	1.18043901139058	15.1509202216935	2.45334911707681
"62-74-8"	"Sodium fluoroacetate"	"C62748"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"62-75-9"	"N-Nitrosodimethylamine"	"C62759"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"627-93-0"	"Dimethyl adipate"	"C627930"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6285-05-8"	"Ethyl 4-chlorophenyl ketone"	"C6285058"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"628-63-7"	"Pentyl acetate"	"C628637"	1.16261433425978	0.120283147498635	4	0.263559885902874	1.16261433425978	14.5416716561067	2.35469508097922
"62924-70-3"	"Flumetralin"	"C62924703"	1.00304141276206	0.239155356471224	16	0.263559885902874	1.00304141276206	10.070276908175	1.63065375567193
"629-62-9"	"Pentadecane"	"C629629"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"629-76-5"	"1-Pentadecanol"	"C629765"	1.53201597513539	0.17599880420289	13	0.263559885902874	1.53201597513539	34.0420711543123	5.5123440680729
"630-56-8"	"Hydroxyprogesterone caproate"	"C630568"	1.51868162002286	0.122636781951525	7	0.263559885902874	1.51868162002286	33.0127436874693	5.34566774775631
"63-05-8"	"4-Androstene-3,17-dione"	"C63058"	1.23123855748489	0.309427435861473	3	0.263559885902874	1.23123855748489	17.0309375904832	2.75777544130795
"6317-18-6"	"Methylene bis(thiocyanate)"	"C6317186"	1.04437332249245	0.664758765018112	33	0.263559885902874	1.04437332249245	11.0757545428659	1.79346813468088
"63-25-2"	"Carbaryl"	"C63252"	1.16341838433068	0.201641637820747	10	0.263559885902874	1.16341838433068	14.5686189528345	2.35905858667177
"633-96-5"	"C.I. Acid Orange 7"	"C633965"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"63-42-3"	"Lactose"	"C63423"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6344-67-8"	"3-Hydroxyfluorene"	"C6344678"	1.25368921979153	0.273448270507211	12	0.263559885902874	1.25368921979153	17.9344977867685	2.90408659451488
"63449-41-2"	"C8-18-Alkydimethylbenzyl ammonium chlorides"	"C63449412"	1.58965967001818	0.2418956771919	17	0.263559885902874	1.58965967001818	38.8740393569057	6.2947721153543
"6359-82-6"	"Acid Yellow 11"	"C6359826"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6359-90-6"	"C.I. Acid Yellow 34, monosodium salt"	"C6359906"	1.01742024417852	0	1	0.263559885902874	3	1000	161.927399866052
"6359-98-4"	"C.I. Acid Yellow 17, disodium salt"	"C6359984"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"63612-50-0"	"Nilutamide"	"C63612500"	1.22637280394295	0.205090683394337	3	0.263559885902874	1.22637280394295	16.8411911016107	2.72705028573111
"636-21-5"	"2-Methylaniline hydrochloride"	"C636215"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"637-07-0"	"Clofibrate"	"C637070"	2.06390922937377	0	1	0.263559885902874	3	1000	161.927399866052
"6381-77-7"	"Sodium erythorbate (1:1)"	"C6381777"	1.1706154283721	0	1	0.263559885902874	3	1000	161.927399866052
"64-10-8"	"Urea, phenyl-"	"C64108"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6422-86-2"	"Bis(2-ethylhexyl) terephthalate"	"C6422862"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"64359-81-5"	"4,5-Dichloro-2-octyl-3(2H)-isothiazolone"	"C64359815"	0.968879074282504	0.676378199977366	11	0.263559885902874	0.968879074282504	9.30848652248347	1.50729901927393
"643-79-8"	"1,2-Benzenedicarboxaldehyde"	"C643798"	1.05057696043115	0.32618928444947	4	0.263559885902874	1.05057696043115	11.2351004693745	1.81927060623966
"644-97-3"	"Phenyl phosphorus dichloride"	"C644973"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"645-56-7"	"4-Propylphenol"	"C645567"	-2.51718610189602	0	1	0.263559885902874	3	1000	161.927399866052
"645-62-5"	"2-Ethyl-2-hexenal"	"C645625"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6459-94-5"	"C.I. Acid Red 114"	"C6459945"	0.642814340413839	0	1	0.263559885902874	3	1000	161.927399866052
"64-67-5"	"Diethyl sulfate"	"C64675"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"64700-56-7"	"Triclopyr-butotyl"	"C64700567"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"647-42-7"	"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"	"C647427"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6485-40-1"	"R-(-)-Carvone"	"C6485401"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"64-86-8"	"Colchicine"	"C64868"	-1.92116816016678	0.464434492091585	12	0.263559885902874	-1.92116816016678	0.0119903494321544	0.00194156610703414
"648917-13-9"	"AVE2865"	"C648917139"	1.64541345449383	0.213462612694676	2	0.263559885902874	1.64541345449383	44.1991028837233	7.15704580637342
"65-23-6"	"Pyridoxine"	"C65236"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"65277-42-1"	"Ketoconazole"	"C65277421"	1.52597119006039	0.280231710982764	32	0.263559885902874	1.52597119006039	33.5715343042253	5.43615125939716
"654055-01-3"	"Morin hydrate"	"C654055013"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"65-45-2"	"Salicylamide"	"C65452"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"657-84-1"	"Sodium 4-methylbenzenesulfonate"	"C657841"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"65-85-0"	"Benzoic acid"	"C65850"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6610-29-3"	"N-Methylhydrazinecarbothioamide"	"C6610293"	0.901791267532631	0.263575685259936	2	0.263559885902874	0.901791267532631	7.97611243809208	1.29155114813952
"66215-27-8"	"Cyromazine"	"C66215278"	1.52914649182617	0	1	0.263559885902874	3	1000	161.927399866052
"66230-04-4"	"Esfenvalerate"	"C66230044"	0.716976562006397	0.239943153366416	5	0.263559885902874	0.716976562006397	5.21166584041095	0.843911498508466
"6624-73-3"	"Pentane-1,5-diyl dibenzoate"	"C6624733"	1.35964510135584	0.467642356076557	4	0.263559885902874	1.35964510135584	22.8899635632657	3.70651228282828
"6625-46-3"	"C.I. Acid Violet 12, disodium salt"	"C6625463"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"66-27-3"	"Methyl methanesulfonate"	"C66273"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"66332-96-5"	"Flutolanil"	"C66332965"	1.10218862541796	0.074711561877622	8	0.263559885902874	1.10218862541796	12.6528577475223	2.04884435593132
"66357-35-5"	"Ranitidine"	"C66357355"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"66441-23-4"	"Fenoxaprop-ethyl"	"C66441234"	1.25610937663393	0.388340166869355	5	0.263559885902874	1.25610937663393	18.034718862725	2.92031513275629
"66456-53-9"	"Adipic acid, polypropyleneglycol, laurate"	"C66456539"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"66575-29-9"	"Forskolin"	"C66575299"	1.53147208086918	0.0835452273221771	5	0.263559885902874	1.53147208086918	33.9994648146248	5.5054449342695
"66-71-7"	"1,10-Phenanthroline"	"C66717"	0.22948592615961	0.764168040354589	4	0.263559885902874	0.22948592615961	1.69623463282507	0.27466686365611
"66-81-9"	"Cycloheximide"	"C66819"	0.579709047705837	0.537178373350558	17	0.263559885902874	0.579709047705837	3.79934776617907	0.615218504964267
"6683-19-8"	"Irganox 1010"	"C6683198"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"668981-02-0"	"CP-863187"	"C668981020"	1.02450508398249	0.143142208530381	5	0.263559885902874	1.02450508398249	10.5804730174529	1.71326848506907
"6706-59-8"	"L-Glucitol"	"C6706598"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"67-20-9"	"Nitrofurantoin"	"C67209"	1.27440714707503	0.327295182348692	6	0.263559885902874	1.27440714707503	18.8107948511583	3.04598309966178
"6728-26-3"	"(2E)-2-Hexenal"	"C6728263"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"67-30-1"	"Tetrac"	"C67301"	1.31480658230516	0.417461746886172	12	0.263559885902874	1.31480658230516	20.6446052145652	3.34292724365567
"6734-80-1"	"Metam-sodium hydrate"	"C6734801"	1.17071034222022	0.0990404586080365	12	0.263559885902874	1.17071034222022	14.8152963205148	2.39900241142604
"67485-29-4"	"Hydramethylnon"	"C67485294"	1.38918090328373	0.254466722691329	16	0.263559885902874	1.38918090328373	24.5008359989123	3.96735666784842
"67564-91-4"	"(2R,6S)-Fenpropimorph"	"C67564914"	1.74711862432818	0.239811680994279	2	0.263559885902874	1.74711862432818	55.8622757578037	9.04563306406152
"676116-04-4"	"PD 0343701"	"C676116044"	1.35055118375911	0.214765161179946	28	0.263559885902874	1.35055118375911	22.4156420967742	3.62970664105865
"67-68-5"	"Dimethyl sulfoxide"	"C67685"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"67747-09-5"	"Prochloraz"	"C67747095"	1.31248570960062	0.244077012440439	13	0.263559885902874	1.31248570960062	20.5345745661414	3.32511026685082
"67786-14-5"	"Acid Red 337"	"C67786145"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"678-39-7"	"1,1,2,2-Tetrahydroperfluoro-1-decanol"	"C678397"	1.35548214874853	0.335881568126763	7	0.263559885902874	1.35548214874853	22.671598858321	3.67115305393406
"6789-88-4"	"Hexyl benzoate"	"C6789884"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"68-11-1"	"Thioglycolic acid"	"C68111"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"68-12-2"	"N,N-Dimethylformamide"	"C68122"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"68157-60-8"	"Forchlorfenuron"	"C68157608"	1.4630219438359	0.416286209861031	8	0.263559885902874	1.4630219438359	29.0416939131976	4.70264598306982
"68169-03-9"	"2-(Dihydrocyclopentadienyloxy)ethyl methacrylate"	"C68169039"	1.8139248138872	0	1	0.263559885902874	3	1000	161.927399866052
"682-01-9"	"Tetrapropyl orthosilicate"	"C682019"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"68-22-4"	"Norethindrone"	"C68224"	0.841091784947101	0.224155203043027	6	0.263559885902874	0.841091784947101	6.93572371951925	1.12308370809105
"68-26-8"	"Retinol"	"C68268"	1.34570233281511	0.335212142495639	7	0.263559885902874	1.34570233281511	22.1667657996284	3.58940674937354
"683-18-1"	"Dibutyltin dichloride"	"C683181"	-0.0512698815246724	0.711418679671765	18	0.263559885902874	-0.0512698815246724	0.888648717552658	0.143896576227603
"68359-37-5"	"Cyfluthrin"	"C68359375"	0.94355152579339	0.0772100050720385	9	0.263559885902874	0.94355152579339	8.78115262727504	1.42190921276159
"68392-35-8"	"4-Hydroxytamoxifen"	"C68392358"	1.39442280652288	0.566343468639799	32	0.263559885902874	1.39442280652288	24.7983512134084	4.01553253295237
"6846-50-0"	"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"	"C6846500"	1.52877441896447	0.0652392212073321	2	0.263559885902874	1.52877441896447	33.7889284324249	5.47135332532267
"684-93-5"	"N-Nitroso-N-methylurea"	"C684935"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"68515-48-0"	"DINP branched"	"C68515480"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"68515-49-1"	"1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich"	"C68515491"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"68515-75-3"	"Hexanedioic acid, di-C7-9-branched and linear alkyl esters"	"C68515753"	-2.26562260671096	0	1	0.263559885902874	3	1000	161.927399866052
"68555-86-2"	"Acid Orange 156"	"C68555862"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"68609-97-2"	"C12-14-Alkyl glycidyl ether"	"C68609972"	2.03343836276903	0	1	0.263559885902874	3	1000	161.927399866052
"68694-11-1"	"Triflumizole"	"C68694111"	1.39460246895158	0.151165042933117	29	0.263559885902874	1.39460246895158	24.8086121167313	4.01719405434772
"68917-18-0"	"Cornmint oil"	"C68917180"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6893-02-3"	"3,5,3'-Triiodothyronine"	"C6893023"	0.946832641865414	0	1	0.263559885902874	3	1000	161.927399866052
"68959-20-6"	"Disiquonium chloride "	"C68959206"	1.47379341618254	0.239793198160927	12	0.263559885902874	1.47379341618254	29.7709995512875	4.82074054875337
"68-96-2"	"17alpha-Hydroxyprogesterone"	"C68962"	1.17297682436768	0	1	0.263559885902874	3	1000	161.927399866052
"69-09-0"	"Chlorpromazine hydrochloride"	"C69090"	1.35729017028571	0.355187450382059	27	0.263559885902874	1.35729017028571	22.7661802633633	3.68646837492823
"6915-15-7"	"Malic acid"	"C6915157"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"6923-22-4"	"Monocrotophos"	"C6923224"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"692-86-4"	"Ethyl undec-10-enoate"	"C692864"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"69327-76-0"	"Buprofezin"	"C69327760"	1.5144690812792	0.262884995884459	23	0.263559885902874	1.5144690812792	32.6940770116204	5.29406688151214
"69377-81-7"	"Fluroxypyr"	"C69377817"	0.0327524247710217	0	1	0.263559885902874	3	1000	161.927399866052
"695-06-7"	"gamma-Caprolactone"	"C695067"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"69655-05-6"	"2',3'-Dideoxyinosine"	"C69655056"	-0.216765772758267	0	1	0.263559885902874	3	1000	161.927399866052
"69-65-8"	"D-Mannitol"	"C69658"	1.59322218503162	0	1	0.263559885902874	3	1000	161.927399866052
"69-72-7"	"Salicylic acid"	"C69727"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"69-74-9"	"Cytarabine hydrochloride"	"C69749"	0.347118695270051	1.15112145557661	10	0.263559885902874	0.347118695270051	2.22391761753808	0.360113197324246
"69806-40-2"	"Haloxyfop-methyl"	"C69806402"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"69806-50-4"	"Fluazifop-butyl"	"C69806504"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7011-83-8"	"2(3H)-Furanone, 5-hexyldihydro-5-methyl-"	"C7011838"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"70-55-3"	"4-Toluenesulfonamide"	"C70553"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"705-60-2"	"(2-Nitro-1-propenyl)benzene"	"C705602"	1.41966656518606	0.298521325475337	9	0.263559885902874	1.41966656518606	26.2824934701566	4.25585582961894
"70568-60-4"	"4-Butylcyclohexanol"	"C70568604"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"706-14-9"	"gamma-Decanolactone"	"C706149"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7080-50-4"	"Chloramine-T trihydrate"	"C7080504"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"709-98-8"	"Propanil"	"C709988"	1.30359416493095	0.37757888408597	6	0.263559885902874	1.30359416493095	20.1184336435742	3.25772564928167
"71-23-8"	"1-Propanol"	"C71238"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"712-50-5"	"Cyclohexylphenylketone"	"C712505"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"71283-80-2"	"Fenoxaprop-P-ethyl"	"C71283802"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"71526-07-3"	"MON-4660"	"C71526073"	-1.09933019668594	3.26335000004339	2	0.263559885902874	-1.09933019668594	0.0795554255770355	0.0128822032089265
"7173-51-5"	"Didecyldimethylammonium chloride"	"C7173515"	1.07166252337551	0.742414056810753	34	0.263559885902874	1.07166252337551	11.7940380176254	1.90977791011544
"71751-41-2"	"Abamectin"	"C71751412"	0.837364540110923	0.274521069343785	31	0.263559885902874	0.837364540110923	6.87645396809703	1.11348631135255
"717-74-8"	"1,3,5-Triisopropylbenzene"	"C717748"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7212-44-4"	"Nerolidol"	"C7212444"	1.69368464964828	0	1	0.263559885902874	3	1000	161.927399866052
"72178-02-0"	"Fomesafen"	"C72178020"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"72-20-8"	"Endrin"	"C72208"	0.838492389844818	0.15061617137437	9	0.263559885902874	0.838492389844818	6.89433512101043	1.11638175995042
"72-33-3"	"Mestranol"	"C72333"	1.6007715605663	0	1	0.263559885902874	3	1000	161.927399866052
"72-43-5"	"Methoxychlor"	"C72435"	1.08213192694698	0.1803191460961	16	0.263559885902874	1.08213192694698	12.0818079209787	1.95637574232514
"72490-01-8"	"Fenoxycarb"	"C72490018"	1.19308194020684	0.246441152638694	12	0.263559885902874	1.19308194020684	15.5984677806206	2.52581932961027
"725228-45-5"	"AVE5638"	"C725228455"	1.16094482240507	0.434966216582118	30	0.263559885902874	1.16094482240507	14.4858779716871	2.3456605547322
"72-54-8"	"p,p'-DDD"	"C72548"	1.4596157817934	0.489828196234932	24	0.263559885902874	1.4596157817934	28.8148114285634	4.66590749225786
"72-55-9"	"p,p'-DDE"	"C72559"	1.35960129252996	0.233502700576723	17	0.263559885902874	1.35960129252996	22.8876546878496	3.70613841263554
"7287-19-6"	"Prometryn"	"C7287196"	1.0986153170137	0	1	0.263559885902874	3	1000	161.927399866052
"732-11-6"	"Phosmet"	"C732116"	1.28907297049603	0.354913791833106	3	0.263559885902874	1.28907297049603	19.4568696999518	3.15060032004576
"73-22-3"	"l-Tryptophan"	"C73223"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"732-26-3"	"2,4,6-Tris(tert-butyl)phenol"	"C732263"	1.54433179815747	0.0464837357626883	6	0.263559885902874	1.54433179815747	35.0212625013344	5.67090197686753
"73-31-4"	"Melatonin"	"C73314"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7378-99-6"	"N,N-Dimethyloctylamine"	"C7378996"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7398-69-8"	"Dimethyldiallylammonium chloride"	"C7398698"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"74051-80-2"	"Sethoxydim"	"C74051802"	1.51540190520715	0	1	0.263559885902874	3	1000	161.927399866052
"74115-24-5"	"Clofentezine"	"C74115245"	0.966154472953104	0.088573097405264	3	0.263559885902874	0.966154472953104	9.25027135667993	1.49787238884259
"741-58-2"	"Bensulide"	"C741582"	1.27396850469148	0.251451003662216	19	0.263559885902874	1.27396850469148	18.7918053250947	3.0429081750816
"742693-38-5"	"SSR504734"	"C742693385"	1.24624131480536	0.190676034869893	19	0.263559885902874	1.24624131480536	17.6295535670569	2.8547077699128
"744-45-6"	"Diphenyl isophthalate"	"C744456"	1.30783553209447	0.242321939299217	4	0.263559885902874	1.30783553209447	20.3158750031401	3.28969681526218
"7487-94-7"	"Mercuric chloride"	"C7487947"	1.28886076931281	0.52272736296322	33	0.263559885902874	1.28886076931281	19.4473651761175	3.1490612772143
"75330-75-5"	"Lovastatin"	"C75330755"	1.22358396830082	0.273419795321064	16	0.263559885902874	1.22358396830082	16.7333913547011	2.70959455300781
"753-73-1"	"Dimethyltin dichloride"	"C753731"	1.00681977609859	0	1	0.263559885902874	3	1000	161.927399866052
"7540-51-4"	"(S)-(-)-beta-Citronellol"	"C7540514"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"754-91-6"	"PFOSA"	"C754916"	1.5173409660764	0.333235940384761	20	0.263559885902874	1.5173409660764	32.9109914787555	5.32919127716866
"75-50-3"	"Trimethylamine"	"C75503"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"75-60-5"	"Dimethylarsinic acid"	"C75605"	1.5567885597668	0.0613598540501372	2	0.263559885902874	1.5567885597668	36.0403134744926	5.83591425128201
"75-64-9"	"tert-Butylamine"	"C75649"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"756-79-6"	"Dimethyl methylphosphonate"	"C756796"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"75-86-5"	"2-Hydroxy-2-methylpropanenitrile"	"C75865"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"75-99-0"	"Dalapon"	"C75990"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"759-94-4"	"EPTC"	"C759944"	-0.0442250171940344	0	1	0.263559885902874	3	1000	161.927399866052
"760-23-6"	"3,4-Dichloro-1-butene"	"C760236"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"76-03-9"	"Trichloroacetic acid"	"C76039"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"762-04-9"	"Diethyl phosphite"	"C762049"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7632-00-0"	"Sodium nitrite"	"C7632000"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"76-44-8"	"Heptachlor"	"C76448"	1.43816349892238	0.470936543658864	21	0.263559885902874	1.43816349892238	27.4260648715945	4.44103137321495
"76-49-3"	"Bornyl acetate"	"C76493"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"76578-14-8"	"Quizalofop-ethyl"	"C76578148"	1.63875881095727	0.27972709037006	4	0.263559885902874	1.63875881095727	43.5270075702692	7.04821515980363
"7659-86-1"	"2-Ethylhexyl sulfanylacetate"	"C7659861"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7664-38-2"	"Phosphoric acid"	"C7664382"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"76738-62-0"	"Paclobutrazol"	"C76738620"	1.46647542882169	0.072538393889083	3	0.263559885902874	1.46647542882169	29.2735524503639	4.74019023312991
"7681-76-7"	"Ronidazole"	"C7681767"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7681-82-5"	"Sodium iodide"	"C7681825"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"76-87-9"	"Triphenyltin hydroxide"	"C76879"	-0.192343887561077	0.713182921343287	34	0.263559885902874	-0.192343887561077	0.642179019090796	0.103986378809904
"7696-12-0"	"Tetramethrin"	"C7696120"	1.30257276730684	0.200992336112299	12	0.263559885902874	1.30257276730684	20.0711736021231	3.25007295365192
"769-92-6"	"4-tert-Butylaniline"	"C769926"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"770-35-4"	"1-Phenoxy-2-propanol"	"C770354"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"77-06-5"	"Gibberellic acid"	"C77065"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"77-09-8"	"Phenolphthalein"	"C77098"	1.39236124815976	0.393036760870864	11	0.263559885902874	1.39236124815976	24.6809145352833	3.99651631701466
"77-40-7"	"Bisphenol B"	"C77407"	1.382541959661	0.150454774260078	13	0.263559885902874	1.382541959661	24.1291464674354	3.90716994845893
"7747-35-5"	"5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane"	"C7747355"	1.32302262978962	0.568959632494222	2	0.263559885902874	1.32302262978962	21.0388806423986	3.40677123851581
"77-47-4"	"Hexachlorocyclopentadiene"	"C77474"	0.838464721106019	0.255395338056729	18	0.263559885902874	0.838464721106019	6.89389589949327	1.11631063795218
"77-48-5"	"1,3-Dibromo-5,5-dimethylhydantoin"	"C77485"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"77501-63-4"	"Lactofen"	"C77501634"	0.991028747300362	0.116005859763218	9	0.263559885902874	0.991028747300362	9.79554823038299	1.58616765520842
"7757-79-1"	"Potassium nitrate"	"C7757791"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"77-71-4"	"5,5-Dimethylhydantoin"	"C77714"	-1.6196467690758	0	1	0.263559885902874	3	1000	161.927399866052
"7773-06-0"	"Ammonium sulfamate"	"C7773060"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"77-73-6"	"Dicyclopentadiene"	"C77736"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7775-27-1"	"Sodium persulfate"	"C7775271"	1.50288114776733	0	1	0.263559885902874	3	1000	161.927399866052
"77-78-1"	"Dimethyl sulfate"	"C77781"	-0.453079688253095	0	1	0.263559885902874	3	1000	161.927399866052
"7779-27-3"	"1,3,5-Triethylhexahydro-s-triazine"	"C7779273"	1.81513124441395	0	1	0.263559885902874	3	1000	161.927399866052
"77-83-8"	"Ethyl methylphenylglycidate"	"C77838"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7785-26-4"	"(-)-alpha-Pinene"	"C7785264"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"77-86-1"	"Tromethamine"	"C77861"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"7786-34-7"	"Mevinphos"	"C7786347"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"77-90-7"	"Acetyl tributyl citrate"	"C77907"	1.38975753336628	0.0184173173730278	4	0.263559885902874	1.38975753336628	24.5333883405296	3.97262778388607
"77-92-9"	"Citric acid"	"C77929"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"77-93-0"	"Triethyl citrate"	"C77930"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"78-07-9"	"Ethyltriethoxysilane"	"C78079"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"78-11-5"	"Pentaerythritol tetranitrate"	"C78115"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"78-40-0"	"Triethyl phosphate"	"C78400"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"78-42-2"	"Tris(2-ethylhexyl) phosphate"	"C78422"	1.15899296980583	0.318628590034977	10	0.263559885902874	1.15899296980583	14.4209200729808	2.33514209109393
"78473-71-9"	"Enterolactone"	"C78473719"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"78-48-8"	"Tribufos"	"C78488"	1.27645869892667	0.209811856381882	14	0.263559885902874	1.27645869892667	18.8998648636976	3.0604059751983
"78491-02-8"	"Diazolidinyl urea"	"C78491028"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"78-51-3"	"Tris(2-butoxyethyl) phosphate"	"C78513"	1.90681378612226	0	1	0.263559885902874	3	1000	161.927399866052
"78587-05-0"	"Hexythiazox"	"C78587050"	1.05785537433455	0.18884124515248	14	0.263559885902874	1.05785537433455	11.4249780492383	1.85001698903987
"78-59-1"	"Isophorone"	"C78591"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"78-63-7"	"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"	"C78637"	1.66259404772333	0.17717384284253	2	0.263559885902874	1.66259404772333	45.9826554517161	7.44585183623291
"78-69-3"	"3,7-Dimethyl-3-octanol"	"C78693"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"78-70-6"	"Linalool"	"C78706"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"78-82-0"	"2-Methylpropanenitrile"	"C78820"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"789-02-6"	"o,p'-DDT"	"C789026"	1.42447198656175	0.164397216770518	22	0.263559885902874	1.42447198656175	26.5749212694651	4.30320790280952
"78-96-6"	"1-Amino-2-propanol"	"C78966"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79-06-1"	"Acrylamide"	"C79061"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79098-20-7"	"4-Chloropentylbenzene"	"C79098207"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79-14-1"	"Glycolic acid"	"C79141"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79-16-3"	"N-Methylacetamide"	"C79163"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79241-46-6"	"Fluazifop-P-butyl"	"C79241466"	1.74901864193375	0.346360173870857	2	0.263559885902874	1.74901864193375	56.1072059331047	9.08529397049674
"79-24-3"	"Nitroethane"	"C79243"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79277-27-3"	"Thifensulfuron-methyl"	"C79277273"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79-39-0"	"Methacrylamide"	"C79390"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79-43-6"	"Dichloroacetic acid"	"C79436"	-1.99995386009915	0	1	0.263559885902874	3	1000	161.927399866052
"79-44-7"	"Dimethylcarbamoyl chloride"	"C79447"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79538-32-2"	"Tefluthrin"	"C79538322"	1.03499263953019	0.04619912884528	9	0.263559885902874	1.03499263953019	10.8390854366641	1.755144921685
"79-57-2"	"Oxytetracycline"	"C79572"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79622-59-6"	"Fluazinam"	"C79622596"	0.726147268734833	0.837915345691938	35	0.263559885902874	0.726147268734833	5.32288727132006	0.86192129562496
"797-63-7"	"Norgestrel"	"C797637"	1.62700746454234	0.625321417488835	2	0.263559885902874	1.62700746454234	42.3650247578926	6.86005830430645
"79902-63-9"	"Simvastatin"	"C79902639"	1.24885531803494	0.468546042257768	18	0.263559885902874	1.24885531803494	17.7359852134957	2.8719419696841
"79-92-5"	"2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane"	"C79925"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"79-94-7"	"3,3',5,5'-Tetrabromobisphenol A"	"C79947"	1.55276668029922	0.301985018673207	26	0.263559885902874	1.55276668029922	35.7080948990538	5.782118961174
"79-95-8"	"2,2',6,6'-Tetrachlorobisphenol A"	"C79958"	1.86217114198029	0.126908326996473	4	0.263559885902874	1.86217114198029	72.8066656492693	11.7893940615032
"79983-71-4"	"Hexaconazole"	"C79983714"	1.56952840090736	0.392966146660898	12	0.263559885902874	1.56952840090736	37.1131999064197	6.00964396155552
"8000-34-8"	"Clove leaf oil"	"C8000348"	-0.40949325690241	2.35181937065104	4	0.263559885902874	-0.40949325690241	0.389499355240253	0.0630706178435578
"8000-41-7"	"Terpineol"	"C8000417"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"8001-54-5"	"Benzalkonium chloride"	"C8001545"	1.41909121528838	0.179042775100369	18	0.263559885902874	1.41909121528838	26.2476976841812	4.25022143846965
"8004-92-0"	"C.I. Acid Yellow 3 disodium salt"	"C8004920"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"80-05-7"	"Bisphenol A"	"C80057"	1.35172695920137	0.504831620141208	8	0.263559885902874	1.35172695920137	22.4764107033241	3.63954674351077
"8006-90-4"	"Peppermint oil"	"C8006904"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"8007-70-3"	"Anise oil"	"C8007703"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"80-07-9"	"4,4'-Dichlorodiphenyl sulfone"	"C80079"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"80-08-0"	"Dapsone"	"C80080"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"80-09-1"	"4,4'-Sulfonyldiphenol"	"C80091"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"80-15-9"	"Cumene hydroperoxide"	"C80159"	1.36823645567807	0.412776978397035	8	0.263559885902874	1.36823645567807	23.347288811928	3.78056577123726
"8018-01-7"	"Mancozeb"	"C8018017"	1.09121069899642	0.274527290542337	8	0.263559885902874	1.09121069899642	12.3370322210221	1.99770354961381
"80-26-2"	"alpha-Terpinyl acetate"	"C80262"	1.91713464163626	0	1	0.263559885902874	3	1000	161.927399866052
"80-27-3"	"Terpinyl propionate"	"C80273"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"80-43-3"	"Dicumyl peroxide"	"C80433"	1.4570455770563	0.327980926390388	14	0.263559885902874	1.4570455770563	28.6447856698082	4.63837566323238
"80-46-6"	"4-(2-Methylbutan-2-yl)phenol"	"C80466"	2.0764084037443	0.0454066920562649	3	0.263559885902874	2.0764084037443	119.23627602832	19.3076201469767
"80-54-6"	"3-(4-tert-Butylphenyl)-2-methylpropanal"	"C80546"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"80-56-8"	"alpha-Pinene"	"C80568"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"80844-07-1"	"Etofenprox"	"C80844071"	0.689797705611272	0.766679056045643	3	0.263559885902874	0.689797705611272	4.8955073349822	0.792716773778852
"81-07-2"	"Saccharin"	"C81072"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"81131-70-6"	"Pravastatin sodium"	"C81131706"	1.23110477712692	0	1	0.263559885902874	3	1000	161.927399866052
"81334-34-1"	"Imazapyr"	"C81334341"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"81335-37-7"	"Imazaquin"	"C81335377"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"81335-77-5"	"Imazethapyr"	"C81335775"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"81405-85-8"	"Imazmethabenz"	"C81405858"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"81406-37-3"	"Fluroxypyr-meptyl"	"C81406373"	1.34256724862353	0.304494381473771	17	0.263559885902874	1.34256724862353	22.0073245716465	3.56358884589498
"81741-28-8"	"Tributyltetradecylphosphonium chloride"	"C81741288"	1.19364120433009	0.243788631775549	19	0.263559885902874	1.19364120433009	15.6185676970272	2.52907405681152
"81777-89-1"	"Clomazone"	"C81777891"	1.91335454399952	0	1	0.263559885902874	3	1000	161.927399866052
"81-81-2"	"Warfarin"	"C81812"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"818-61-1"	"2-Hydroxyethyl acrylate"	"C818611"	1.40033417757922	0	1	0.263559885902874	3	1000	161.927399866052
"81-88-9"	"Rhodamine B"	"C81889"	1.24580332547195	0	1	0.263559885902874	3	1000	161.927399866052
"81-90-3"	"Phenolphthalin"	"C81903"	1.97206661277034	0	1	0.263559885902874	3	1000	161.927399866052
"822-06-0"	"1,6-Diisocyanatohexane"	"C822060"	1.05014618691082	0	1	0.263559885902874	3	1000	161.927399866052
"82385-42-0"	"Sodium saccharin hydrate"	"C82385420"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"824-39-5"	"Sodium 2-nitrophenolate"	"C824395"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"82469-79-2"	"Butyryl trihexyl citrate"	"C82469792"	0.411725556672538	0.702412360588556	2	0.263559885902874	0.411725556672538	2.58062890072252	0.417874527913185
"824-78-2"	"Sodium 4-nitrophenolate"	"C824782"	-1.99745657259301	0	1	0.263559885902874	3	1000	161.927399866052
"82558-50-7"	"Isoxaben"	"C82558507"	1.90767637488726	0	1	0.263559885902874	3	1000	161.927399866052
"82640-04-8"	"Raloxifene hydrochloride"	"C82640048"	1.39282673166715	0.284540556925747	29	0.263559885902874	1.39282673166715	24.70738210084	4.00080214108604
"82657-04-3"	"Bifenthrin"	"C82657043"	1.01480186041928	0.130961658980808	9	0.263559885902874	1.01480186041928	10.3467000812511	1.67541424135086
"826-62-0"	"3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione"	"C826620"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"82-68-8"	"Pentachloronitrobenzene"	"C82688"	1.28872302096962	0.154861198446744	9	0.263559885902874	1.28872302096962	19.4411978918093	3.14806262490204
"827-19-0"	"Sodium 2,5-dimethylbenzenesulfonate"	"C827190"	-4.99745513772611	0	1	0.263559885902874	3	1000	161.927399866052
"827-21-4"	"Benzenesulfonic acid, 2,4-dimethyl-, sodium salt"	"C827214"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"828-00-2"	"Dimethoxane"	"C828002"	1.28801354456336	0.0701618534522963	2	0.263559885902874	1.28801354456336	19.4094640993382	3.14292405439932
"83-32-9"	"Acenaphthene"	"C83329"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"83-41-0"	"1,2-Dimethyl-3-nitrobenzene"	"C83410"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"834-12-8"	"Ametryn"	"C834128"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"83657-24-3"	"Diniconazole"	"C83657243"	1.34582424252554	0.251550390081315	20	0.263559885902874	1.34582424252554	22.1729890500538	3.59041446413365
"83-67-0"	"Theobromine"	"C83670"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"83-79-4"	"Rotenone"	"C83794"	0.849719431818936	0.607711580045801	15	0.263559885902874	0.849719431818936	7.07488576375805	1.14561785607469
"83834-59-7"	"2-Ethylhexyl trans-4-methoxycinnamate"	"C83834597"	-0.400509173476915	2.97017351006479	2	0.263559885902874	-0.400509173476915	0.397640697136252	0.0643889241681974
"83-88-5"	"Riboflavin"	"C83885"	1.32255534067646	0	1	0.263559885902874	3	1000	161.927399866052
"838-85-7"	"Diphenyl phosphate"	"C838857"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"838-88-0"	"4,4'-Methylenebis(2-methylaniline)"	"C838880"	1.16404584866822	1.09547696318063	2	0.263559885902874	1.16404584866822	14.5896827609743	2.36246939435512
"84087-01-4"	"Quinclorac"	"C84087014"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"84-16-2"	"meso-Hexestrol"	"C84162"	1.49820287826663	0.218841558643009	24	0.263559885902874	1.49820287826663	31.4921911083736	5.09944862226373
"842-07-9"	"C.I. Solvent Yellow 14"	"C842079"	1.11557103704529	0.580851299681592	8	0.263559885902874	1.11557103704529	13.0488138912211	2.11296050474144
"84371-65-3"	"Mifepristone"	"C84371653"	1.44008953774027	0.0287243831116595	11	0.263559885902874	1.44008953774027	27.5479659643287	4.46077050020224
"84-61-7"	"Dicyclohexyl phthalate"	"C84617"	1.74376982806318	0.132880948143434	2	0.263559885902874	1.74376982806318	55.4331844495937	8.97615142421795
"84-66-2"	"Diethyl phthalate"	"C84662"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"84-69-5"	"Diisobutyl phthalate"	"C84695"	1.55891289934995	0.309765147068171	8	0.263559885902874	1.55891289934995	36.2170355456171	5.86453039675815
"84-74-2"	"Dibutyl phthalate"	"C84742"	1.1691253680204	0.318876852676413	8	0.263559885902874	1.1691253680204	14.7613258776194	2.39026311793837
"84-75-3"	"Dihexyl phthalate"	"C84753"	1.52584948790241	0.678281109349408	9	0.263559885902874	1.52584948790241	33.5621278854831	5.43462810246818
"84852-15-3"	"4-Nonylphenol, branched"	"C84852153"	1.21933704174549	0.429737102649657	26	0.263559885902874	1.21933704174549	16.570554511406	2.68322680637065
"85-01-8"	"Phenanthrene"	"C85018"	1.29403298852497	0	1	0.263559885902874	3	1000	161.927399866052
"851916-42-2"	"MK-812"	"C851916422"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"85264-33-1"	"(3,5-Dimethyl-1H-pyrazol-1-yl)methanol"	"C85264331"	1.86209242914963	0	1	0.263559885902874	3	1000	161.927399866052
"85-40-5"	"1,2,3,6-Tetrahydrophthalimide"	"C85405"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"85-41-6"	"Phthalimide"	"C85416"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"85507-79-5"	"Phthalic acid, diundecyl ester, branched and linear"	"C85507795"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"85509-19-9"	"Flusilazole"	"C85509199"	1.38895324582932	0.408406491548716	8	0.263559885902874	1.38895324582932	24.4879960101503	3.96527752185388
"85532-75-8"	"PK 11195"	"C85532758"	1.5956436679585	0.331141941238952	4	0.263559885902874	1.5956436679585	39.4133788573279	6.38210595830271
"85-68-7"	"Butyl benzyl phthalate"	"C85687"	1.28702860773784	0.240281852371587	8	0.263559885902874	1.28702860773784	19.3654952365272	3.13580429076926
"860-22-0"	"C.I. Acid Blue 74"	"C860220"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"862243-29-6"	"AVE9423"	"C862243296"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"86-30-6"	"N-Nitrosodiphenylamine"	"C86306"	1.42896030721519	0	1	0.263559885902874	3	1000	161.927399866052
"86386-73-4"	"Fluconazole"	"C86386734"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"864283-48-7"	"GSK232420A"	"C864283487"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"86479-06-3"	"Hexaflumuron"	"C86479063"	1.51405505369373	0	1	0.263559885902874	3	1000	161.927399866052
"86-50-0"	"Azinphos-methyl"	"C86500"	1.33386511658919	0.147277299770112	4	0.263559885902874	1.33386511658919	21.5707435980579	3.49289442401079
"86-73-7"	"Fluorene"	"C86737"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"86-87-3"	"1-Naphthaleneacetic acid"	"C86873"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"868-85-9"	"Dimethyl hydrogen phosphite"	"C868859"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87-01-4"	"7-(Dimethylamino)-4-methylcoumarin"	"C87014"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87-18-3"	"4-tert-Butylphenyl salicylate"	"C87183"	1.62627066664616	0.162231459216925	2	0.263559885902874	1.62627066664616	42.2932117390967	6.84842980889629
"87-24-1"	"Ethyl 2-methylbenzoate"	"C87241"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"872-50-4"	"N-Methyl-2-pyrrolidone"	"C872504"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87-25-2"	"Ethyl anthranilate"	"C87252"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87392-12-9"	"S-Metolachlor"	"C87392129"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87546-18-7"	"Flumiclorac-pentyl"	"C87546187"	1.09091334400693	0.167805628327647	5	0.263559885902874	1.09091334400693	12.3285881291686	1.99633621977573
"87-61-6"	"1,2,3-Trichlorobenzene"	"C87616"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87-62-7"	"2,6-Dimethylaniline"	"C87627"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87674-68-8"	"Dimethenamid"	"C87674688"	1.51540190520715	0.706248041622829	5	0.263559885902874	1.51540190520715	32.7643763023168	5.30545026286704
"87-68-3"	"Hexachloro-1,3-butadiene"	"C87683"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87-69-4"	"L-Tartaric acid"	"C87694"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"877-24-7"	"Monopotassium phthalate"	"C877247"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87818-31-3"	"Cinmethylin"	"C87818313"	1.37175993115645	0.815122844215908	3	0.263559885902874	1.37175993115645	23.5374782199165	3.81136264755491
"87820-88-0"	"Tralkoxydim"	"C87820880"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"87-86-5"	"Pentachlorophenol"	"C87865"	1.01406382891207	0.185492474284418	13	0.263559885902874	1.01406382891207	10.3291320341052	1.67256949315579
"87-90-1"	"Symclosene"	"C87901"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"88-04-0"	"4-Chloro-3,5-dimethylphenol"	"C88040"	1.93320021299438	0	1	0.263559885902874	3	1000	161.927399866052
"88-06-2"	"2,4,6-Trichlorophenol"	"C88062"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"88-12-0"	"N-Vinyl-2-pyrrolidone"	"C88120"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"88-18-6"	"2-tert-Butylphenol"	"C88186"	1.92182900635604	0	1	0.263559885902874	3	1000	161.927399866052
"88-24-4"	"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"	"C88244"	1.0917673200457	0.311790630747459	17	0.263559885902874	1.0917673200457	12.3528543293493	2.00026558247562
"88-30-2"	"3-Trifluoromethyl-4-nitrophenol"	"C88302"	1.43172567368599	0.694405410476869	3	0.263559885902874	1.43172567368599	27.022509219484	4.37568465576745
"88-41-5"	"2-tert-Butylcyclohexyl acetate"	"C88415"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"88-58-4"	"2,5-Di-tert-butylbenzene-1,4-diol"	"C88584"	1.10580503069769	0.384321245259408	9	0.263559885902874	1.10580503069769	12.7586590139367	2.06597647990433
"88-60-8"	"2-tert-Butyl-5-methylphenol"	"C88608"	1.94872665660563	0.208944529715637	4	0.263559885902874	1.94872665660563	88.8641633940192	14.3895429196655
"88671-89-0"	"Myclobutanil"	"C88671890"	1.46210751152646	0.820661507869581	2	0.263559885902874	1.46210751152646	28.9806092675187	4.6927547052233
"88-69-7"	"2-Isopropylphenol"	"C88697"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"88-72-2"	"2-Nitrotoluene"	"C88722"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"88-74-4"	"2-Nitroaniline"	"C88744"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"88-75-5"	"2-Nitrophenol"	"C88755"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"88-85-7"	"Dinoseb"	"C88857"	1.12511547075284	0.384968643889374	16	0.263559885902874	1.12511547075284	13.3387603762687	2.15991078516551
"89-04-3"	"Trioctyl trimellitate"	"C89043"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"89-71-4"	"Methyl 2-methylbenzoate"	"C89714"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"89-72-5"	"2-(Butan-2-yl)phenol"	"C89725"	1.77134685371703	0	1	0.263559885902874	3	1000	161.927399866052
"89-78-1"	"dl-Menthol"	"C89781"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"89-83-8"	"Thymol"	"C89838"	1.71603977660552	0	1	0.263559885902874	3	1000	161.927399866052
"89-87-2"	"1,3-Dimethyl-4-nitrobenzene"	"C89872"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"90-00-6"	"2-Ethylphenol"	"C90006"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"90-02-8"	"Salicylaldehyde"	"C90028"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"9003-11-6"	"Pluronic F-127"	"C9003116"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"90-04-0"	"2-Anisidine"	"C90040"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"9004-82-4"	"Sodium lauryl polyoxyethylene ether sulfate"	"C9004824"	1.75403374502682	0.0734712171705661	4	0.263559885902874	1.75403374502682	56.7588705789282	9.19081633217957
"9004-96-0"	"Polyoxyethylene monoleate"	"C9004960"	1.82851886513887	0	1	0.263559885902874	3	1000	161.927399866052
"90-05-1"	"2-Methoxyphenol"	"C90051"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"9005-65-6"	"Polysorbate 80"	"C9005656"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"90-12-0"	"1-Methylnaphthalene"	"C90120"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"90-15-3"	"1-Naphthol"	"C90153"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"9016-00-6"	"Polydimethylsiloxane"	"C9016006"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"9016-87-9"	"Isocyanic acid, polymethylenepolyphenylene ester"	"C9016879"	-2.58944765368859	0	1	0.263559885902874	3	1000	161.927399866052
"90-30-2"	"N-Phenyl-1-naphthylamine"	"C90302"	1.69576441741888	0.0484806282329725	4	0.263559885902874	1.69576441741888	49.6323018520366	8.0368295882673
"90357-06-5"	"Bicalutamide"	"C90357065"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"90-43-7"	"2-Phenylphenol"	"C90437"	1.92395047342623	0	1	0.263559885902874	3	1000	161.927399866052
"90-72-2"	"2,4,6-Tris(dimethylaminomethyl)phenol"	"C90722"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"90823-38-4"	"Denatonium saccharide"	"C90823384"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"90-94-8"	"Michler's ketone"	"C90948"	0.388233179255465	0.458298888761067	12	0.263559885902874	0.388233179255465	2.44474281965529	0.39587084812798
"91082-17-6"	"C10-21 sulfonic acids phenyl esters"	"C91082176"	0.689154403832219	0.498079751654045	2	0.263559885902874	0.689154403832219	4.88826119806979	0.791543425669551
"91-20-3"	"Naphthalene"	"C91203"	-2.39772122404441	0	1	0.263559885902874	3	1000	161.927399866052
"91-22-5"	"Quinoline"	"C91225"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"91465-08-6"	"lambda-Cyhalothrin"	"C91465086"	1.66243077045295	0	1	0.263559885902874	3	1000	161.927399866052
"91-53-2"	"Ethoxyquin"	"C91532"	1.40344226519938	0.0890484232660185	5	0.263559885902874	1.40344226519938	25.3187502723544	4.09979939946024
"91-59-8"	"2-Naphthylamine"	"C91598"	1.0199915380576	0.22203692245794	3	0.263559885902874	1.0199915380576	10.4710814563847	1.695554994018
"91-62-3"	"6-Methylquinoline"	"C91623"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"91-64-5"	"Coumarin"	"C91645"	0.84565433512634	0	1	0.263559885902874	3	1000	161.927399866052
"91-66-7"	"N,N-Diethylaniline"	"C91667"	0.471275175589008	0	1	0.263559885902874	3	1000	161.927399866052
"919-30-2"	"3-Aminopropyltriethoxysilane"	"C919302"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"92-04-6"	"2-Chloro-4-phenylphenol"	"C92046"	1.79977927279328	0.0666300884570969	2	0.263559885902874	1.79977927279328	63.063674619348	10.2117368571097
"924-16-3"	"N-Nitrosodibutylamine"	"C924163"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"92-52-4"	"Biphenyl"	"C92524"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"92-68-2"	"4-Cyclohexylcyclohexanone"	"C92682"	1.37567959682851	0.12851746887862	3	0.263559885902874	1.37567959682851	23.7508740615109	3.84591728132651
"92-69-3"	"4-Phenylphenol"	"C92693"	1.55513208309614	0	1	0.263559885902874	3	1000	161.927399866052
"92-84-2"	"Phenothiazine"	"C92842"	1.24458511645624	0.176466617734294	5	0.263559885902874	1.24458511645624	17.5624506322407	2.84384196615463
"92-87-5"	"Benzidine"	"C92875"	0.492083951437859	0	1	0.263559885902874	3	1000	161.927399866052
"928-96-1"	"(Z)-3-Hexen-1-ol"	"C928961"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"929601-09-2"	"SR58611"	"C929601092"	1.51568891180038	0.475475371957328	16	0.263559885902874	1.51568891180038	32.7860360293305	5.30895756614417
"930-55-2"	"N-Nitrosopyrrolidine"	"C930552"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"93-08-3"	"2'-Acetonaphthone"	"C93083"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"93-15-2"	"Methyleugenol"	"C93152"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"93-56-1"	"Styrene glycol"	"C93561"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"93-65-2"	"Mecoprop"	"C93652"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"93-76-5"	"2,4,5-Trichlorophenoxyacetic acid"	"C93765"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"938-16-9"	"tert-Butyl phenyl ketone"	"C938169"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"93-89-0"	"Ethyl benzoate"	"C93890"	1.69735171547642	0	1	0.263559885902874	3	1000	161.927399866052
"93-92-5"	"Benzenemethanol, alpha-methyl-, acetate"	"C93925"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"93-99-2"	"Phenyl benzoate"	"C93992"	1.47375732157946	0	1	0.263559885902874	3	1000	161.927399866052
"94-08-6"	"Ethyl 4-methylbenzoate"	"C94086"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"94-09-7"	"Benzocaine"	"C94097"	1.35461174579272	0	1	0.263559885902874	3	1000	161.927399866052
"94-13-3"	"Propylparaben"	"C94133"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"941-69-5"	"1-Phenyl-1H-pyrrole-2,5-dione"	"C941695"	1.70429384518247	0.223128719416092	18	0.263559885902874	1.70429384518247	50.6167020565874	8.19623095381783
"94-18-8"	"Benzylparaben"	"C94188"	1.74413798696536	0.257952707735905	2	0.263559885902874	1.74413798696536	55.4801960369547	8.98376388832289
"94-26-8"	"Butylparaben"	"C94268"	1.20742837961721	0.00582288229309144	3	0.263559885902874	1.20742837961721	16.1223512845234	2.61065042322997
"94-28-0"	"Triethylene glycol bis(2-ethylhexanoate)"	"C94280"	1.1240681246201	0.262030158525575	3	0.263559885902874	1.1240681246201	13.3066313306588	2.15470821234972
"94361-06-5"	"Cyproconazole"	"C94361065"	1.13812205147541	0	1	0.263559885902874	3	1000	161.927399866052
"94-46-2"	"Isopentyl benzoate"	"C94462"	-2.26445243272384	0	1	0.263559885902874	3	1000	161.927399866052
"94-47-3"	"2-Phenylethyl benzoate"	"C94473"	1.95174965207813	0	1	0.263559885902874	3	1000	161.927399866052
"94-59-7"	"Safrole"	"C94597"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"94-60-0"	"Dimethyl hexahydroterephthalate"	"C94600"	1.51643667942664	0	1	0.263559885902874	3	1000	161.927399866052
"94-71-3"	"2-Ethoxyphenol"	"C94713"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"94-74-6"	"MCPA"	"C94746"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"94-75-7"	"2,4-Dichlorophenoxyacetic acid"	"C94757"	0.85930595421479	0	1	0.263559885902874	3	1000	161.927399866052
"94-80-4"	"2,4-D 1-butyl ester "	"C94804"	1.93964044633076	0	1	0.263559885902874	3	1000	161.927399866052
"94-81-5"	"MCPB"	"C94815"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"94-82-6"	"2,4-DB"	"C94826"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"94-91-7"	"N,N'-Disalicylidene-1,2-diaminopropane"	"C94917"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"94-96-2"	"2-Ethyl-1,3-hexanediol"	"C94962"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"950-37-8"	"Methidathion"	"C950378"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-13-6"	"Indene"	"C95136"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-14-7"	"1,2,3-Benzotriazole"	"C95147"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-16-9"	"Benzothiazole"	"C95169"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95266-40-3"	"Trinexapac-ethyl"	"C95266403"	-0.851873533500572	0	1	0.263559885902874	3	1000	161.927399866052
"95-38-5"	"1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-"	"C95385"	1.56773278597711	0.176440752522837	15	0.263559885902874	1.56773278597711	36.9600700767969	5.98484804640278
"95-48-7"	"o-Cresol"	"C95487"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-49-8"	"2-Chlorotoluene"	"C95498"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-50-1"	"1,2-Dichlorobenzene"	"C95501"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-53-4"	"2-Methylaniline"	"C95534"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-54-5"	"1,2-Phenylenediamine"	"C95545"	1.06775755507838	0.105313237555614	6	0.263559885902874	1.06775755507838	11.6884670011117	1.89268306991017
"95-57-8"	"2-Chlorophenol"	"C95578"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-63-6"	"1,2,4-Trimethylbenzene"	"C95636"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-65-8"	"3,4-Dimethylphenol"	"C95658"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95737-68-1"	"Pyriproxyfen"	"C95737681"	1.08715253553907	0.429567622384697	7	0.263559885902874	1.08715253553907	12.2222886341295	1.97912341893699
"95-74-9"	"3-Chloro-4-methylaniline"	"C95749"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"957-51-7"	"Diphenamid"	"C957517"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-76-1"	"3,4-Dichloroaniline"	"C95761"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-80-7"	"2,4-Diaminotoluene"	"C95807"	1.18174771845219	0	1	0.263559885902874	3	1000	161.927399866052
"95-83-0"	"4-Chloro-1,2-diaminobenzene"	"C95830"	0.834758729045942	0.130257486643106	5	0.263559885902874	0.834758729045942	6.83531807803505	1.10682528363363
"95-87-4"	"2,5-Dimethylphenol"	"C95874"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-93-2"	"1,2,4,5-Tetramethylbenzene"	"C95932"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-94-3"	"1,2,4,5-Tetrachlorobenzene"	"C95943"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"95-95-4"	"2,4,5-Trichlorophenol"	"C95954"	1.3179135077499	0.173063119548772	13	0.263559885902874	1.3179135077499	20.7928254475826	3.36692816059571
"959-98-8"	"Endosulfan I"	"C959988"	1.62289274158423	0.0891606121911251	3	0.263559885902874	1.62289274158423	41.9655328231382	6.7953696140442
"960-71-4"	"Triphenylborane"	"C960714"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"96-09-3"	"Styrene oxide"	"C96093"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"96182-53-5"	"Tebupirimfos"	"C96182535"	1.5113871703904	0.116733603177046	14	0.263559885902874	1.5113871703904	32.4628892697319	5.25663125158723
"96-18-4"	"1,2,3-Trichloropropane"	"C96184"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"96-23-1"	"1,3-Dichloro-2-propanol"	"C96231"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"96-24-2"	"3-Chloro-1,2-propanediol"	"C96242"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"962-58-3"	"Diazoxon"	"C962583"	1.40587559862426	0.162383702139785	2	0.263559885902874	1.40587559862426	25.461008308961	4.12283487343798
"96-29-7"	"2-Butanone oxime"	"C96297"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"96-41-3"	"Cyclopentanol"	"C96413"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"96-45-7"	"Ethylene thiourea"	"C96457"	1.51540190520715	0	1	0.263559885902874	3	1000	161.927399866052
"96-48-0"	"4-Butyrolactone"	"C96480"	1.10567431005928	0	1	0.263559885902874	3	1000	161.927399866052
"96489-71-3"	"Pyridaben"	"C96489713"	0.952361927976013	0.210446821154008	14	0.263559885902874	0.952361927976013	8.96111246654772	1.45104964161533
"96-70-8"	"2-tert-Butyl-4-ethylphenol"	"C96708"	1.56895166285405	0.107629529916724	17	0.263559885902874	1.56895166285405	37.0639467168915	6.00166852064012
"96-76-4"	"2,4-Di-tert-butylphenol"	"C96764"	1.42472189116997	0.335012429016266	31	0.263559885902874	1.42472189116997	26.5902175872679	4.30568479577884
"96-83-3"	"Iopanoic acid"	"C96833"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"97-00-7"	"1-Chloro-2,4-dinitrobenzene"	"C97007"	1.48624675650106	0.278021417884535	17	0.263559885902874	1.48624675650106	30.6370366779788	4.96097568886596
"97-23-4"	"Dichlorophen"	"C97234"	1.37596525072279	0.405831559437752	8	0.263559885902874	1.37596525072279	23.7665011571263	3.84844773628696
"97322-87-7"	"Troglitazone"	"C97322877"	1.41503108135683	0.552166716027936	22	0.263559885902874	1.41503108135683	26.00345656663	4.2106721093642
"97-52-9"	"2-Methoxy-4-nitroaniline"	"C97529"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"97-53-0"	"Eugenol"	"C97530"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"97-54-1"	"Isoeugenol"	"C97541"	1.37472765586661	0.164493739680892	2	0.263559885902874	1.37472765586661	23.6988709395561	3.83749655100346
"97-56-3"	"2-Amino-5-azotoluene"	"C97563"	1.34598728240066	0.409391929574228	18	0.263559885902874	1.34598728240066	22.1813146451881	3.59176260610608
"97-59-6"	"Allantoin"	"C97596"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"97-77-8"	"Disulfiram"	"C97778"	1.16689254696736	0.404250781748156	21	0.263559885902874	1.16689254696736	14.6856288122737	2.37800568896945
"97-78-9"	"N-Dodecanoyl-N-methylglycine"	"C97789"	1.72616392262382	0	1	0.263559885902874	3	1000	161.927399866052
"97886-45-8"	"Dithiopyr"	"C97886458"	1.08004503682345	0.0506304010298601	14	0.263559885902874	1.08004503682345	12.0238911724854	1.94699743383293
"97-99-4"	"Tetrahydrofurfuryl alcohol"	"C97994"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98-00-0"	"Furfuryl alcohol"	"C98000"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98-01-1"	"Furfural"	"C98011"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98-06-6"	"tert-Butylbenzene"	"C98066"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98-07-7"	"Benzotrichloride"	"C98077"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98319-26-7"	"Finasteride"	"C98319267"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98-51-1"	"4-tert-Butyltoluene"	"C98511"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98-52-2"	"4-tert-Butylcyclohexanol"	"C98522"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98-53-3"	"4-tert-Butylcyclohexanone"	"C98533"	1.61077816687112	0.139212630764986	2	0.263559885902874	1.61077816687112	40.8110874271371	6.60843327278241
"98-54-4"	"4-tert-Butylphenol"	"C98544"	1.90986193622328	0	1	0.263559885902874	3	1000	161.927399866052
"98-56-6"	"1-Chloro-4-(trifluoromethyl)benzene"	"C98566"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98730-04-2"	"Benoxacor"	"C98730042"	0.712321960326583	0	1	0.263559885902874	3	1000	161.927399866052
"98-86-2"	"Acetophenone"	"C98862"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98-87-3"	"Benzal chloride"	"C98873"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98886-44-3"	"Fosthiazate"	"C98886443"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98-92-0"	"Niacinamide"	"C98920"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"989-38-8"	"Rhodamine 6G"	"C989388"	1.49109622986721	0.393150349464308	17	0.263559885902874	1.49109622986721	30.981056935524	5.0166819946715
"98-95-3"	"Nitrobenzene"	"C98953"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"98967-40-9"	"Flumetsulam"	"C98967409"	-0.286805062705557	0.619707989438862	2	0.263559885902874	-0.286805062705557	0.516648219803208	0.0836595028781577
"99-07-0"	"3-Dimethylaminophenol"	"C99070"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-08-1"	"3-Nitrotoluene"	"C99081"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-30-9"	"Dicloran"	"C99309"	1.3164878604995	0.0179000419429155	4	0.263559885902874	1.3164878604995	20.7246812866117	3.35589375379364
"99-51-4"	"1,2-Dimethyl-4-nitrobenzene"	"C99514"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-54-7"	"3,4-Dichloronitrobenzene"	"C99547"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-55-8"	"2-Methyl-5-nitroaniline"	"C99558"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-59-2"	"2-Methoxy-5-nitroaniline"	"C99592"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99607-70-2"	"Cloquintocet-mexyl"	"C99607702"	1.82527656373043	0.0230118354345055	2	0.263559885902874	1.82527656373043	66.8769662221779	10.829213251287
"99-62-7"	"1,3-Diisopropylbenzene"	"C99627"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-63-8"	"1,3-Benzenedicarbonyl dichloride"	"C99638"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-65-0"	"1,3-Dinitrobenzene"	"C99650"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-66-1"	"Valproic acid"	"C99661"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-71-8"	"4-(Butan-2-yl)phenol"	"C99718"	1.8217521720057	0	1	0.263559885902874	3	1000	161.927399866052
"99-76-3"	"Methylparaben"	"C99763"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-85-4"	"gamma-Terpinene"	"C99854"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-86-5"	"alpha-Terpinene"	"C99865"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-87-6"	"p-Cymene"	"C99876"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-89-8"	"4-Isopropylphenol"	"C99898"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-93-4"	"4-Hydroxyacetophenone"	"C99934"	1.5165682616967	0	1	0.263559885902874	3	1000	161.927399866052
"99-96-7"	"4-Hydroxybenzoic acid"	"C99967"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-97-8"	"N,N,4-Trimethylaniline"	"C99978"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"99-99-0"	"4-Nitrotoluene"	"C99990"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"999-97-3"	"Hexamethyldisilazane"	"C999973"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"NOCAS_34742"	"Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)"	"CNOCAS34742"	0.9821428787552	0.345797135614064	35	0.263559885902874	0.9821428787552	9.59716317127492	1.55404367841478
"NOCAS_47248"	"CI-1018"	"CNOCAS47248"	1.55371322555506	0.623257167451472	2	0.263559885902874	1.55371322555506	35.7860055998337	5.79473483837304
"NOCAS_47255"	"CP-465394"	"CNOCAS47255"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"NOCAS_47265"	"CP-471358"	"CNOCAS47265"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"NOCAS_47267"	"CP-642931"	"CNOCAS47267"	2.05763236061539	0	1	0.263559885902874	3	1000	161.927399866052
"NOCAS_47291"	"CI-1044"	"CNOCAS47291"	-2.04383162052174	0	1	0.263559885902874	3	1000	161.927399866052
"NOCAS_47292"	"PD 0200347"	"CNOCAS47292"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"NOCAS_47299"	"CP-422935"	"CNOCAS47299"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"NOCAS_47305"	"CP-608039"	"CNOCAS47305"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"NOCAS_47311"	"GSK163929B"	"CNOCAS47311"	1.13840044888251	0.249349023563239	22	0.263559885902874	1.13840044888251	13.7530951892713	2.227002944109
"NOCAS_47325"	"SB413217A"	"CNOCAS47325"	0.799384902342635	0.0385273177928536	8	0.263559885902874	0.799384902342635	6.30064342855228	1.02024680786859
"NOCAS_47328"	"MK-274"	"CNOCAS47328"	1.51704474325728	0.315403859078253	26	0.263559885902874	1.51704474325728	32.888551261226	5.32555759109167
"NOCAS_47330"	"PharmaGSID_47330"	"CNOCAS47330"	1.3044594704429	0.153463414783145	10	0.263559885902874	1.3044594704429	20.1585583666755	3.26422294136381
"NOCAS_47333"	"PharmaGSID_47333"	"CNOCAS47333"	0.511368585013584	0.586460392769305	6	0.263559885902874	0.511368585013584	3.24615000692122	0.525640630195918
"NOCAS_47334"	"MK-968"	"CNOCAS47334"	1.35336762186267	0.329875965844067	13	0.263559885902874	1.35336762186267	22.5614818980257	3.65332210087229
"NOCAS_47342"	"SR125047"	"CNOCAS47342"	1.4199446028765	0.391000424884118	21	0.263559885902874	1.4199446028765	26.2993250527475	4.25858132402352
"NOCAS_47346"	"SSR162369"	"CNOCAS47346"	0.764869171353007	0.270282096079831	5	0.263559885902874	0.764869171353007	5.81927889025108	0.942300699793759
"NOCAS_47351"	"SSR240612"	"CNOCAS47351"	1.34056475866299	0.382098291056029	29	0.263559885902874	1.34056475866299	21.9060845045078	3.54719530506095
"NOCAS_47353"	"SSR241586"	"CNOCAS47353"	1.18364205612578	0.392436922049093	33	0.263559885902874	1.18364205612578	15.2630756274833	2.47151015031727
"NOCAS_47362"	"SSR150106"	"CNOCAS47362"	1.53166773320501	0.422148270020918	10	0.263559885902874	1.53166773320501	34.0147852333972	5.50792572984617
"NOCAS_47364"	"SSR103800"	"CNOCAS47364"	1.30417650751349	0.220624810008214	16	0.263559885902874	1.30417650751349	20.1454284119587	3.26209684193615
"NOCAS_47366"	"SAR115740"	"CNOCAS47366"	1.09628449773066	0.462286879950154	24	0.263559885902874	1.09628449773066	12.4820091823023	2.0211792919944
"NOCAS_47374"	"SSR161421"	"CNOCAS47374"	0.85895099463403	0.288898271717972	9	0.263559885902874	0.85895099463403	7.2268825156333	1.17023029489393
"NOCAS_47377"	"AVE6324"	"CNOCAS47377"	0.877676671379268	0.323998909819023	33	0.263559885902874	0.877676671379268	7.54530277007464	1.2217912587603
"NOCAS_47379"	"SSR126768"	"CNOCAS47379"	0.720492154694484	0.125845657565932	12	0.263559885902874	0.720492154694484	5.25402523899113	0.850770645780444
"NOCAS_47383"	"AVE3247"	"CNOCAS47383"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"NOCAS_47385"	"SAR377142"	"CNOCAS47385"	2.00612989722049	0.0435948636108415	2	0.263559885902874	2.00612989722049	101.421469138437	16.4229147881822
"NOCAS_47387"	"SAR102779"	"CNOCAS47387"	1.37489508241392	0.326595064348801	28	0.263559885902874	1.37489508241392	23.7080089443552	3.83897624436053
"NOCAS_47389"	"SAR150640"	"CNOCAS47389"	1.35720292980137	0.306861589389294	20	0.263559885902874	1.35720292980137	22.7616074833648	3.68572791655292
"NOCAS_47708"	"Igepal CO-890"	"CNOCAS47708"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
"NOCAS_47796"	"Formalin"	"CNOCAS47796"	NA	NA	0	0.263559885902874	3	1000	161.927399866052
