CODE	CASRN	Name	DSSToxGSID	NVS_NR_hAR	NVS_NR_cAR	NVS_NR_rAR	OT_AR_ARSRC1_0480	OT_AR_ARSRC1_0960	OT_AR_ARELUC_AG_1440	ATG_AR_TRANS_up	TOX21_AR_BLA_Agonist_ratio	TOX21_AR_LUC_MDAKB2_Agonist	TOX21_AR_BLA_Antagonist_ratio	TOX21_AR_LUC_MDAKB2_Antagonist2
C100005	100-00-5	1-Chloro-4-nitrobenzene	DTXSID5020281	10.49004594	0	0	3.886925795	6.832298137	31.69871381	0.469760686	115.3400406	2.576949241	12.00640191	11.65354342
C100016	100-01-6	4-Nitroaniline	DTXSID8020961	0	37.3935816	0	5.905773059	9.957627119	3.233337224	0.214912456	114.9881389	9.755139116	280.1771872	99.0715528
C100027	100-02-7	4-Nitrophenol	DTXSID0021834	0	0	0	6.253585772	3.764827231	8.049022855	0.381178695	185.5643607	144.6646535	19.22519828	17.56899449
C10016203	10016-20-3	alpha-Cyclodextrin	DTXSID7030698	69.11666295	0	0	5.815279361	2.782509938	9.698608964	0.330721213	82.38394486	1.88293899	96.69461305	16.24157024
C100210	100-21-0	Terephthalic acid	DTXSID6026080	0	0	0	1.549053356	2.527075812	12.37324402	0.116016632	22.78948156	1.923354535	18.42054565	12.12257548
C10025748	10025-74-8	Dysprosium(III) chloride	DTXSID8041909	0	45.13939692	0	1.369863014	1.944608132	2.54948004	0.150915013	13.39157909	3.22420831	13.44583981	28.24007192
C100378	100-37-8	"N,N-Diethylethanolamine"	DTXSID5021837	0	0	0	2.813852814	4.955401388	5.786090006	0.179371484	14.13227621	1.816063586	12.40585031	14.75451246
C10042598	10042-59-8	2-Propyl-1-heptanol	DTXSID9029302	0	0	0	2.839116719	1.530924679	1.603008114	0.238724348	14.37822929	2.266501496	15.66563675	19.64484778
C10043353	10043-35-3	Boric acid	DTXSID1020194	0	0	0	6.246545053	2.807017544	3.27032483	0.751639648	14.97695973	1.85654824	119.3241816	10.26411442
C100516	100-51-6	Benzyl alcohol	DTXSID5020152	0	0	0	3.087100331	2.339532094	7.225134177	0.310541137	16.36236866	1.736065658	13.82042254	17.4516699
C100549	100-54-9	3-Pyridinecarbonitrile	DTXSID1026665	0	0	0	5.756207675	2.211764706	81.54727462	0.284608914	10.22874608	5.20932548	16.60247855	12.92784972
C100641	100-64-1	Cyclohexanone oxime	DTXSID4021842	0	0	0	2.636203866	2.033492823	120.4181705	0.169582196	24.01270355	1.50574084	31.88416634	17.57642627
C1007289	1007-28-9	Deisopropylatrazine	DTXSID0037495	4.908748978	0	35.12812196	1.223990208	2.799552072	7.520125663	0.070719049	18.69436202	2.485455073	6.203844104	18.02653035
C10081671	10081-67-1	4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline	DTXSID0027721	0	0	0	1.403061224	3.773584906	9.080308631	0.189954319	9.195857238	4.410020429	39.018752	20.68875745
C1008726	1008-72-6	Sodium 2-formylbenzenesulfonate	DTXSID5041643	0	0	0	13.62612613	1.459034792	3.542830227	0.17179811	21.88545151	1.760766535	28.18457641	19.64908637
C10094345	10094-34-5	"1,1-Dimethyl-2-phenylethyl butanoate"	DTXSID5038830	0	0	0	2.638522427	1.71624714	5.308982799	0.747731277	15.40736509	3.406712817	9.579056952	21.7187643
C100970	100-97-0	Methenamine	DTXSID6020692	0	0	0	6.749226006	2.611367127	13.48819783	0.272793372	10.58852803	4.385684992	103.7914692	17.895981
C101020	101-02-0	Triphenyl phosphite	DTXSID0026252	0	0	0	8.993288591	3.239289446	1.898211829	0.122407631	20.39211205	2.297192679	17.00546107	14.74953719
C101053	101-05-3	Anilazine	DTXSID9020089	0	0	0	3.482587065	4.32748538	2.962011378	0.454235185	14.00810457	3.061250636	12.86000849	11.70170779
C101100	101-10-0	Cloprop	DTXSID9034232	0	0	0	2.073732719	1.444043321	6.014649353	0.381603272	71.77177177	2.432434626	5.369830022	78.70721409
C101202	101-20-2	Triclocarban	DTXSID4026214	0	0	0	12.56097561	43.09978769	92.7174646	0.300435757	32.14974389	5.045369539	110.8437932	109.7248751
C101213	101-21-3	Chlorpropham	DTXSID7020764	79.19827844	0	0	14.65240642	17.62886598	7.240316121	0.428286733	34.65098342	2.759582844	28.73603044	69.83887373
C101371	101-37-1	"2,4,6-Tris(allyloxy)-1,3,5-triazine"	DTXSID8037754	0	0	0	5.176470588	2.279728897	11.75653784	0.295276526	10.2726516	2.146848184	31.65227898	19.96138722
C101428	101-42-8	Fenuron	DTXSID7037551	0	0	0	3.333333333	3.084832905	2.168878933	0.156399388	15.3464454	3.590355755	10.80942701	17.52520823
C101463698	101463-69-8	Flufenoxuron	DTXSID1041978	0	0	0	6.151142355	2.631578947	0.178171684	0.261941041	14.67873303	2.853615523	60.04402226	114.3909371
C101542	101-54-2	"N-Phenyl-1,4-benzenediamine"	DTXSID7025895	0	0	0	8.057395143	13.32560834	2.763133039	0.708065463	19.68093735	1.980756748	100.9103068	81.90729229
C101553	101-55-3	p-Bromodiphenyl ether	DTXSID8023927	0	0	0	6.622516556	2.708559047	4.977642376	0.370391583	21.49671107	2.461533717	98.86520627	11.2247568
C101611	101-61-1	"4,4'-Methylenebis(N,N-dimethylaniline)"	DTXSID5020869	0	0	0	28.66817156	6.635294118	3.165142923	0.564231059	88.03352126	9.768771661	12.57969064	52.81970252
C10161338	10161-33-8	17beta-Trenbolone	DTXSID0034192	98.27664399	96.5813048	92.51962672	120.0902935	107.475623	273.221531	4.041848673	148.4433869	191.4679511	103.6653037	-4.742023706
C101779	101-77-9	"4,4'-Methylenedianiline"	DTXSID6022422	0	0	0	2.753441802	3.212216956	10.35689096	0.484437787	8.010954789	4.497809755	15.16338073	10.43208217
C101804	101-80-4	"4,4'-Oxydianiline"	DTXSID0021094	0	8.60957613	0	6.385404789	3.009653606	9.00309119	0.360589715	33.58521206	3.141644391	13.35459022	5.01779656
C101815	101-81-5	Diphenylmethane	DTXSID1041891	0	0	0	5.100956429	1.169590643	28.55481245	0.259278719	11.07655081	2.221273294	9.500628778	20.36045419
C101837	101-83-7	Dicyclohexylamine	DTXSID6025018	0	0	0	2.284710018	1.794258373	3.223841503	0.229867542	18.05634286	2.608722434	37.65688009	9.679356093
C101848	101-84-8	Diphenyl oxide	DTXSID9021847	0	0	0	2.494331066	0.916310324	8.177884956	0.197318431	40.30172359	3.430672733	14.71727343	11.75672525
C101860	101-86-0	2-Benzylideneoctanal	DTXSID4026684	0	0	0	10.19900498	27.17391304	74.70916335	0.769658826	19.24769908	2.782404002	12.95376149	24.76375263
C102067	102-06-7	"1,3-Diphenylguanidine"	DTXSID3025178	0	0	0	7.602339181	37.4863388	5.097478914	0.441391501	14.43909511	41.33932129	64.52464789	105.2078678
C10222012	10222-01-2	"2,2-Dibromo-3-nitrilopropionamide"	DTXSID5032361	0	0	0	4.635761589	4.287369641	1.811749755	0.006341527	10.28813346	2.403799259	74.64460907	18.17140364
C102272	102-27-2	N-Ethyl-3-methylaniline	DTXSID4021848	0	7.401434677	0	3.74862183	6.155507559	2.054695761	0.196515899	15.8077843	1.838046606	14.20640947	17.98325732
C1024573	1024-57-3	Heptachlor epoxide	DTXSID1024126	0	0	0	58.95096921	37.31343284	1.435275392	0.339718095	23.07971907	2.041991264	71.23816915	79.0744854
C102603	102-60-3	"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine"	DTXSID9026689	0	0	0	1.150684932	3.267973856	13.47537745	0.143348201	14.66325882	2.349380159	7.547104809	21.52533339
C10265926	10265-92-6	Methamidophos	DTXSID6024177	12.7307172	0	27.3229758	4.146919431	2.059732235	10.31968592	0.318616306	12.82755992	5.205324532	14.92156936	19.52051533
C102676313	102676-31-3	Fadrozole hydrochloride	DTXSID4020618	0	0	0	2.261306533	2.294348069	18.60156721	0.215519544	26.2066365	8.290739214	13.18830314	27.99724342
C102716	102-71-6	Triethanolamine	DTXSID9021392	0	0	0	7.006369427	6.859592712	24.42152755	0.196579882	17.20915093	3.976802497	24.61273666	9.466454809
C102761	102-76-1	Triacetin	DTXSID3026691	11.16354634	0	0	5.069124424	5.415162455	2.140029452	0.390779224	30.59411204	3.152285416	38.46830986	13.14982374
C102829	102-82-9	Tributylamine	DTXSID4026183	0	3.069908939	0	11.98453608	3.644158628	4.031201248	0.411523015	11.5736505	2.781125566	7.894202757	13.38387433
C103055078	103055-07-8	Lufenuron	DTXSID5034357	0	0	0	7.794192562	5.840286055	1.291956935	0.190108749	39.90863739	3.199788391	24.30815133	88.77940678
C103093	103-09-3	2-Ethylhexyl acetate	DTXSID8026694	0	0	0	2.023809524	2.313624679	2.513962253	0.122889067	21.16644849	3.193159993	15.59568809	23.1714378
C1031078	1031-07-8	Endosulfan sulfate	DTXSID3037541	3.882352941	7.33671937	11.6387865	25.5733945	26.30937881	2.291749095	0.380373953	8.102721369	2.124600817	92.4346411	109.589799
C103117	103-11-7	2-Ethylhexyl acrylate	DTXSID9025297	0	0	0	3.719447396	2.456140351	19.62779878	0.125644538	18.39487066	2.806716204	58.54814815	14.05060108
C103231	103-23-1	Di(2-ethylhexyl) adipate	DTXSID0020606	0	0	0	6.930693069	1.211771495	4.394680288	0.362067486	21.17412106	2.457983724	9.181237754	49.50682288
C103242	103-24-2	Bis(2-ethylhexyl) nonanedioate	DTXSID3026697	0	0	0	3.535050929	3.257868581	6.147993619	0.451799766	17.62697397	8.883846942	14.31225229	115.8886596
C103333	103-33-3	Azobenzene	DTXSID8020123	0	0	0	3.938730853	2.471368294	218.2765067	0.144774494	17.15285215	4.617534063	15.05714759	16.51803639
C103344	103-34-4	"4,4'-Dithiodimorpholine"	DTXSID8026698	0	0	0	83.321847	78.35294118	10.70340724	0.474488802	11.3792427	6.059498486	91.78415414	97.4260006
C103361097	103361-09-7	Flumioxazin	DTXSID7032555	0	0	0	10.89108911	3.404500866	4.344846918	0.326921018	9.598573683	3.325864344	54.83579827	22.0562119
C1034011	1034-01-1	Octyl gallate	DTXSID4040713	0	0	96.09169485	19.92574257	85.34333526	6.20736911	0.49119377	114.7913096	2.026316219	92.25219848	107.1574707
C103413	103-41-3	Benzyl cinnamate	DTXSID3041663	0	0	0	3.583502366	1.189060642	7.974618419	0.365966277	18.3987756	3.92707491	64.20274551	12.4908032
C103651	103-65-1	Propylbenzene	DTXSID3042219	0	0	0	4.329004329	5.649157582	4.578219365	0.241384668	9.667214889	136.1541802	20.31645562	17.70662376
C103695	103-69-5	N-Ethylaniline	DTXSID1025271	0	0	0	8.520648197	3.910614525	-3.737594617	0.141920497	9.381746811	2.705937933	19.515152	26.65935987
C103764	103-76-4	1-Piperazineethanol	DTXSID3021853	0	0	0	4.610130905	1.251422071	22.92461034	0.161687899	12.76584302	2.142559765	8.528306826	43.68346751
C103902	103-90-2	Acetaminophen	DTXSID2020006	0	0	0	5.653710247	6.832298137	4.486600422	0.322261627	16.7654567	2.170671344	72.22316815	19.90893981
C104098488	104098-48-8	Imazapic	DTXSID5034270	0	0	0	1.573033708	3.968253968	6.300720978	0.249117625	13.94658754	70.76862355	7.977041061	19.31395337
C104132	104-13-2	4-Butylaniline	DTXSID8021856	0	0	0	3.281733746	1.990632319	10.14335948	0.417111828	19.39142916	2.752574575	15.95241528	17.37730183
C104206828	104206-82-8	Mesotrione	DTXSID7032424	0	41.11081507	0	5.953693495	2.819436113	12.86211983	0.303469762	515.8841787	89.85745782	176.24148	65.2566472
C104405	104-40-5	4-Nonylphenol	DTXSID5033836	0	0	33.37620579	6.603773585	88.00726832	12.32005357	0.539649175	12.88053345	1.385765477	67.75800857	28.550387
C104438	104-43-8	4-Dodecylphenol	DTXSID1022508	0	0	0	89.69359331	89.39488459	0.164799556	0.172377994	69.86866137	0.904633867	82.28141285	114.4804611
C104450	104-45-0	4-Propylanisole	DTXSID0042325	0	0	0	5.032258065	-0.613496933	4.312556908	0.120034343	58.98565796	3.452042403	8.078495503	59.30866041
C104518	104-51-8	Butylbenzene	DTXSID6022472	0	0	0	5.13368984	2.19895288	5.164926545	0.255124724	19.95197115	3.733028498	14.45650017	24.60688369
C10453868	10453-86-8	Resmethrin	DTXSID7022253	8.272213226	0	44.332999	32.46921581	68.36221353	7.852784885	0.251446432	25.86566537	2.395354728	85.39740974	108.7205985
C104541	104-54-1	3-Phenyl-2-propen-1-ol	DTXSID9041491	0	0	0	2.974223397	0.916380298	20.21866338	0.24171744	20.7500991	3.345334417	34.6907994	36.97471795
C104610	104-61-0	gamma-Nonanolactone	DTXSID0034229	0	0	0	3.333333333	0.867678959	4.866732478	0.288187883	19.88443591	1.92526919	14.54343723	16.51547373
C104665	104-66-5	"1,2-Diphenoxyethane"	DTXSID5026706	0	0	0	1.22591944	3.02677532	1.823436522	0.288831898	8.887114436	17.88190516	15.50676534	14.24377947
C104676	104-67-6	5-Heptyldihydro-2(3H)-furanone	DTXSID4034287	0	0	0	5.767984446	2.403577418	3.581972053	0.268068531	14.50765864	3.300364567	16.16506865	69.35045283
C104767	104-76-7	2-Ethyl-1-hexanol	DTXSID5020605	0	0	0	4.288939052	3.168316832	11.43988331	0.212573419	25.73009382	2.455627475	9.657379148	19.88748051
C104795688	104795-68-8	CI-959	DTXSID8047268	24.35857322	21.80909757	0	13.21407963	15.46281434	4.253465921	0.925999419	13.3967776	15.80242565	97.78593088	12.15931241
C105215	105-21-5	"1,4-Heptanolide"	DTXSID5047611	0	0	0	1.656050955	4.89432703	1.868101775	0.075036076	6.989538408	3.929695192	13.86229168	23.5355914
C105373	105-37-3	Ethyl propionate	DTXSID1040110	0	0	0	5.035971223	1.037613489	6.078203639	0.081517551	10.63737273	3.447702302	33.93704183	-2.359778332
C10540291	10540-29-1	Tamoxifen	DTXSID1034187	73.57967667	8.892290842	29.11857293	52.92919002	84.24036281	1.466117796	0.066561679	256.1015688	2.498863083	91.97844167	116.5344646
C105512069	105512-06-9	Clodinafop-propargyl	DTXSID6032354	0	0	0	3.389830508	9.415584416	8.189806678	0.233638772	19.55332473	16.52661193	49.77770795	9.295590137
C105533	105-53-3	Diethyl propanedioate	DTXSID7021863	0	0	0	2.083333333	0.56753689	4.958170664	0.208927	56.89495188	2.683196461	14.03931337	16.89890549
C105544	105-54-4	Ethyl butyrate	DTXSID6040111	0	0	0	5.744562186	1.857923497	3.700174028	0.150989812	7.333249879	3.286214161	24.34652753	22.10245072
C105555	105-55-5	"N,N'-Diethylthiourea"	DTXSID8020466	0	0	0	2.763819095	2.406267487	6.329113924	0.202530077	8.932438567	3.473927818	13.09700261	35.19186199
C105602	105-60-2	Caprolactam	DTXSID4020240	0	3.731857185	0	1.329080276	2.076502732	6.904180301	0.614346308	20.64407668	2.010868251	14.44596209	105.414862
C105624860	105624-86-0	5HPP-33	DTXSID1046970	0	0	0	44.10958904	51.2605042	12.85452236	0.363904743	27.30335627	3.819888095	105.8383792	111.7376302
C105679	105-67-9	"2,4-Dimethylphenol"	DTXSID2021864	0	0	0	4.298642534	2.643171806	6.003521127	0.34495755	154.890258	3.216168002	13.48696367	12.32814502
C105873	105-87-3	Geranyl acetate	DTXSID0020654	0	0	0	3.544575725	5.326032852	5.084253341	0.284608914	37.0941359	5.527587871	7.952422042	19.91535933
C105997	105-99-7	Dibutyl hexanedioate	DTXSID2021866	0	0	0	5.202973128	5.745856354	6.98934441	0.400041193	9.782825161	2.745446782	8.195876289	18.20191924
C10605217	10605-21-7	Carbendazim	DTXSID4024729	0	0	0	10.496614	27.12871287	9.939570744	0.342933176	41.74778837	7.175402534	41.24266296	20.43768437
C1061517621	1061517-62-1	PharmaGSID_47337	DTXSID4047337	0	41.46499875	86.80392157	22.23950233	50.96839959	9.729633582	0.347317002	11.996574	2.956983952	103.6106456	21.15115623
C1062243519	1062243-51-9	PharmaGSID_48511	DTXSID4048511	0	0	0	84.97854077	61.52954809	10.85372202	0.243066548	34.67136766	2.832749504	96.20994429	53.34939059
C106229	106-22-9	Citronellol	DTXSID3026726	0	0	0	5.938494168	13.48314607	3.460005315	0.251731757	12.99286519	2.187003086	10.60886214	17.30066731
C106230	106-23-0	Citronellal	DTXSID3041790	0	0	0	4.154809334	1.023890785	7.753026958	0.066281712	31.51187739	4.643289448	20.57100808	19.07027084
C106241	106-24-1	Geraniol	DTXSID8026727	0	11.04928786	0	5.882352941	2.722513089	2.060426869	0.071724127	15.97357442	2.151526683	69.51340616	15.53668035
C106252	106-25-2	"(2Z)-3,7-Dimethylocta-2,6-dien-1-ol"	DTXSID3026728	0	10.51991621	0	14.19178082	4.388422035	11.04839848	0.157541277	25.89159782	6.152522531	11.27077528	18.82232147
C106274	106-27-4	Isopentyl butyrate	DTXSID3042059	0	0	0	6.501182033	1.854974705	4.565574455	0.800333247	12.55423511	1.472104482	13.54034431	21.18453707
C106309	106-30-9	Ethyl heptanoate	DTXSID1040112	0	0	0	7.68321513	3.091624508	2.906377885	0.090006777	20.76894853	4.308275883	21.75956162	22.02079296
C106434	106-43-4	4-Chlorotoluene	DTXSID8024814	0	0	0	2.649006623	0.541711809	4.987469903	0.174993446	6.209815158	3.044617915	7.345300362	20.33090367
C106445	106-44-5	p-Cresol	DTXSID7021869	0	0	0	2.254791432	4.220398593	1.915201156	0.199933707	13.22963648	2.573583388	6.696182234	11.5592096
C106456	106-45-6	4-Thiocresol	DTXSID5048188	0	0	0	24.74489796	66.91823899	4.614583075	0.531321951	30.61631361	2.001493002	12.32420269	24.20039757
C106467	106-46-7	"1,4-Dichlorobenzene"	DTXSID1020431	0	0	0	3.307607497	1.73965207	47.67584194	0.431965315	11.11002111	1.814963964	14.3835817	12.68904396
C106478	106-47-8	4-Chloroaniline	DTXSID9020295	0	0	0	1.646791596	0.809716599	6.338028169	0.331038513	77.94403156	14.63755986	86.76470588	101.5187857
C106489	106-48-9	4-Chlorophenol	DTXSID1021871	0	0	0	3.345724907	4.813477738	4.442278234	0.318833524	11.05320497	2.669015804	15.15886389	9.804288536
C106490	106-49-0	4-Methylaniline	DTXSID6021872	0	0	0	6.982248521	0.772200772	3.154489081	0.382740179	41.95114969	2.825578201	17.89896992	11.89071807
C106503	106-50-3	"1,4-Benzenediamine"	DTXSID9021138	0	78.84358706	0	2.602230483	5.415162455	2.710857355	0.087313687	11.63189653	2.425646982	39.31308749	16.24377612
C106650	106-65-0	Dimethyl succinate	DTXSID5025152	0	0	0	2.297592998	5.485232068	7.326626903	0.33431924	13.47464173	4.588930477	51.67691448	13.95447881
C106683	106-68-3	3-Octanone	DTXSID3041954	0	0	0	3.299492386	2.824207493	11.61877197	0.149233943	12.07401344	2.336777371	26.00216159	28.33846122
C1067250	1067-25-0	Trimethoxypropylsilane	DTXSID6042494	0	0	0	1.31661442	1.056556868	3.45068224	0.073503978	13.1394722	4.097759304	10.01556058	8.637397046
C1067534	1067-53-4	Tris(2-methoxyethoxy)vinylsilane	DTXSID5027356	0	10.0387665	0	2.90237467	1.945080092	3.094378546	1.322371511	25.83566351	2.407975857	13.24549844	31.67736794
C106876	106-87-6	4-Vinyl-1-cyclohexene dioxide	DTXSID0020604	0	0	0	3.785103785	9.287257019	4.467314437	0.578648727	15.15376792	2.44087745	8.925561817	20.70207906
C1068967963	1068967-96-3	SAR102608	DTXSID8047391	0	0	0	21.8630137	14.09897292	6.420206011	0.244877543	14.35905555	2.113024278	99.97298993	65.99854919
C106934	106-93-4	"1,2-Dibromoethane"	DTXSID3020415	0	0	0	3.978779841	2.135231317	19.28494816	0.122059649	28.26694479	2.65003019	14.1232248	13.32256951
C107071669	107071-66-9	Ro 23-7637	DTXSID9048512	0	0	0	14.3472023	51.89873418	2.404711271	0.402912248	101.785504	2.290704644	48.62724205	112.4610903
C107073	107-07-3	2-Chloroethanol	DTXSID1021877	0	0	0	5.129682997	2.556237219	3.778703244	0.245288856	13.36960362	4.788842832	28.46825502	7.36701836
C107131	107-13-1	Acrylonitrile	DTXSID5020029	0	0	0	2.860478692	2.561117579	38.53648363	0.28867772	12.91684131	6.515457071	15.34716544	21.56258219
C107186	107-18-6	Allyl alcohol	DTXSID8020044	0	0	0	1.911667765	2.250803859	7.970431091	0.246073974	45.70851308	7.344999216	7.600457966	13.76553091
C107200	107-20-0	Chloroacetaldehyde	DTXSID4020292	0	0	0	20.05571031	15.28384279	2.642347931	0.212770183	10.12414972	3.436865797	13.14964444	14.55837867
C107211	107-21-1	Ethylene glycol	DTXSID8020597	0	0	0	8.131868132	4.795321637	5.782615867	0.173139768	19.24269252	7.975883608	10.55666802	10.29860492
C1072157	1072-15-7	"Sulfuric acid, monononyl ester, sodium salt"	DTXSID7047487	0	0	0	4.768392371	2.742857143	3.2046169	0.299738235	13.63253266	4.035134951	27.38699253	15.85506167
C107302	107-30-2	Chloromethyl methyl ether	DTXSID6020307	0	0	0	3.82585752	1.487414188	50.55365106	0.290695941	20.80043082	1.475653761	14.36988073	16.7762175
C107415	107-41-5	"2-Methyl-2,4-pentanediol"	DTXSID5021885	0	0	0	6.748466258	2.364066194	123.9716636	0.203482123	22.89291303	2.263124018	16.66806669	10.68582621
C107460	107-46-0	Hexamethyldisiloxane	DTXSID4026769	0	0	0	1.643489254	3.13253012	2.982480673	0.224418903	13.84223328	1.389838506	98.31838565	88.49023498
C107517	107-51-7	Octamethyltrisiloxane	DTXSID9040710	0	0	0	2.713987474	2.191609267	2.045518229	0.381124126	16.33630592	3.284391479	16.37742186	11.92911366
C107534963	107534-96-3	Tebuconazole	DTXSID9032113	95.91993841	73.86615227	0	29.67818832	50.8260447	4.196314541	0.394082293	75.97097738	2.856465715	89.47929076	89.1641655
C107540	107-54-0	"3,5-Dimethyl-1-hexyn-3-ol"	DTXSID6041472	0	0	0	7.297139521	1.164144354	-0.050651015	0.386129099	16.00581354	210.0330923	10.60264131	29.56590849
C1076977	1076-97-7	"1,4-Cyclohexanedicarboxylic acid"	DTXSID2038788	0	0	0	2.732240437	1.094890511	178.8963681	0.186700714	16.62290729	2.617989328	75.96988998	17.02826644
C107755	107-75-5	"7-Hydroxy-3,7-dimethyloctanal"	DTXSID6042232	0	0	0	11.56462585	2.748930971	8.206255763	0.11377024	14.41706886	2.327886758	13.69208155	26.82546191
C107879	107-87-9	2-Pentanone	DTXSID0021888	0	0	0	2.946708464	1.180857676	5.672782032	0.145825644	17.81926177	2.527638953	13.96104646	21.01292294
C107880	107-88-0	"1,3-Butanediol"	DTXSID8026773	0	0	0	5.213270142	1.956745623	11.77790241	0.143304292	43.83023414	2.776620187	10.83947983	19.97470451
C107926	107-92-6	Butanoic acid	DTXSID8021515	0	0	0	2.377972466	1.316482359	7.738750176	0.235599975	24.48162175	2.172910727	11.62079928	14.13812568
C107982	107-98-2	1-Methoxy-2-propanol	DTXSID8024284	0	0	28.84312402	6.987143656	3.329223181	13.91757373	0.408479595	18.18181818	20.86012221	9.749182044	24.44087713
C108010	108-01-0	Dimethylaminoethanol	DTXSID2020505	0	0	0	3.340440654	3.735456216	82.64830433	0.129446506	18.11140245	5.562274325	66.44549763	12.83697261
C108112	108-11-2	4-Methyl-2-pentanol	DTXSID2026781	0	0	0	1.691093574	2.696365768	4.56516502	0.285952742	18.85155674	4.127932953	7.442339481	18.56257829
C108214	108-21-4	Isopropyl acetate	DTXSID2025478	0	0	0	3.184713376	1.557285873	1.00608413	0.27426743	8.105400358	3.941168676	15.07346069	18.84522023
C108327	108-32-7	Propylene carbonate	DTXSID2026789	0	0	0	2.054794521	1.078167116	1.910304394	0.231543624	38.03042434	18.50194064	14.60046012	13.37678257
C108383	108-38-3	m-Xylene	DTXSID6026298	0	0	0	3.773584906	4.394299287	148.3475987	0.110990093	22.93835068	1.651999786	15.68166485	14.01491286
C108394	108-39-4	m-Cresol	DTXSID6024200	0	0	0	2.064220183	1.971230687	10.24119449	0.411179405	18.80488327	2.650226904	17.42470042	11.97433853
C108419336	108419-33-6	"Acetic acid, C8-10-branched alkyl esters, C9-rich"	DTXSID0029848	0	0	0	3.443877551	1.383647799	3.919914655	0.372795616	14.6766626	2.858544875	9.934442179	28.079911
C108441	108-44-1	3-Methylaniline	DTXSID1026792	0	0	0	3.549571603	1.007838746	12.67753125	0.06062874	34.30242479	3.169307906	13.31727743	4.359336937
C108452	108-45-2	"1,3-Benzenediamine"	DTXSID4021137	0	0	0	3.350369108	0.809716599	11.86063751	0.132778526	14.68514466	1.774702084	16.03227177	10.32247117
C108463	108-46-3	Resorcinol	DTXSID2021238	0	0	0	5.191873589	3.168316832	13.8987289	0.66654009	71.35286756	2.260223782	205.8194774	9.902583862
C1085127	1085-12-7	Heptylparaben	DTXSID4022523	0	0	0	72.63157895	67.09601874	13.79496889	0.366077212	10.48010987	3.287661926	22.68135911	33.62012237
C108598	108-59-8	Dimethyl malonate	DTXSID4029145	0	0	0	5.902578797	3.137254902	66.88047701	0.367185365	25.46653703	2.262584712	14.76759066	31.54499158
C108678	108-67-8	"1,3,5-Trimethylbenzene"	DTXSID6026797	0	0	0	3.293413174	1.607050285	6.622636388	0.078276606	9.629389255	79.42173209	7.905161118	23.31667199
C108689	108-68-9	"3,5-Dimethylphenol"	DTXSID1025148	0	0	0	3.539823009	3.373493976	0.709163187	0.269453527	14.08195681	0.783425621	6.7896177	19.15167967
C108770	108-77-0	"2,4,6-Trichloro-s-triazine"	DTXSID6026799	0	0	0	3.643122677	5.294825511	3.880610871	0.196592694	14.85739553	1.515516634	23.52946869	21.92919716
C108805	108-80-5	Cyanuric acid	DTXSID7024873	0	0	0	5.094207955	3.294117647	74.70425728	0.474406824	76.37958658	2.609971133	8.510863787	12.68793497
C108838	108-83-8	Diisobutyl ketone	DTXSID4025080	0	0	0	3.612903226	-1.717791411	3.385481334	0.251939112	27.9825518	1.792692928	14.29656994	18.64517292
C108918	108-91-8	Cyclohexylamine	DTXSID1023996	0	0	0	2.182952183	2.007648184	8.776119403	0.244558483	34.80164662	4.86521373	10.86385486	12.8650697
C108930	108-93-0	Cyclohexanol	DTXSID4021894	0	0	0	13.29157968	4.761904762	4.632587859	0.207942287	8.262941429	4.041057791	30.61048599	7.335508463
C108941	108-94-1	Cyclohexanone	DTXSID6020359	0	0	0	5.451936872	6.25	7.656967841	0.092777216	12.29459741	3.153741849	29.21912322	11.23913862
C108952	108-95-2	Phenol	DTXSID5021124	0	0	0	4.47761194	6.710671067	8.438061041	0.284453389	17.23526281	3.860583733	55.8909445	9.493896029
C108985	108-98-5	Benzenethiol	DTXSID7026811	0	0	0	2.261904762	3.727506427	1.654281001	0.245440346	18.50449413	2.292795583	6.324090091	21.93296327
C108996	108-99-6	3-Methylpyridine	DTXSID9021897	0	0	0	3.831417625	4.47761194	6.209782893	0.381911802	26.5531256	3.081361662	9.274074074	12.45542405
C109024	109-02-4	4-Methylmorpholine	DTXSID9029146	0	16.25724103	0	4.617505169	1.411764706	16.34199901	0.96291682	28.00272642	4.398135512	10.70317151	27.65064312
C109433	109-43-3	Dibutyl decanedioate	DTXSID1041847	0	0	0	6.872669153	3.317535545	46.53878232	0.459637497	43.1471818	3.272967632	21.10078659	17.0349094
C109466	109-46-6	"N,N'-Dibutylthiourea"	DTXSID8042187	0	0	0	2.994791667	1.816118048	7.601784718	0.410434129	16.77537281	7.507299518	115.9511005	10.74762949
C109524	109-52-4	Pentanoic acid	DTXSID7021655	0	0	0	2.877697842	1.037613489	7.704219899	0.1441375	19.38846602	3.367965183	81.2276087	30.24743412
C109557	109-55-7	3-(Dimethylamino)propylamine	DTXSID5025102	0	0	0	2.444987775	2.244389027	2.613252926	0.255747279	13.56334943	2.433685868	14.71711711	25.54524951
C1095905	1095-90-5	Methadone hydrochloride	DTXSID2020501	0	0	0	6.593406593	2.69005848	1.850569025	0.359302366	11.64274322	2.272620731	79.06523856	9.61601835
C109773	109-77-3	Propanedinitrile	DTXSID6021907	0	0	0	1.58172232	0.956937799	7.838031279	0.24983719	49.77159233	2.906088516	78.81938725	42.79539114
C109864	109-86-4	2-Methoxyethanol	DTXSID5024182	0	0	0	2.941176471	2.753303965	14.71830986	0.262675124	19.80306346	5.762377333	17.67545958	10.51482255
C110054	110-05-4	Di-tert-butyl peroxide	DTXSID2024955	0	0	0	3.892215569	3.888024883	5.754093911	0.538939618	16.56036203	5.150472507	16.18991071	13.08369357
C110123	110-12-3	5-Methyl-2-hexanone	DTXSID5021914	0	9.089710346	0	1.286549708	2.467191601	7.060351309	0.506424283	14.86966755	3.14855565	16.88717844	14.24624335
C110156	110-15-6	Butanedioic acid	DTXSID6023602	0	0	0	3.005464481	1.824817518	4.164509209	0.338225504	19.18331258	2.330535619	67.08116732	12.87091301
C110167	110-16-7	Maleic acid	DTXSID8021517	0	0	0	48.7244898	20.50314465	2.034386087	0.249040781	30.73181517	3.954961427	10.96282306	24.46171232
C110178	110-17-8	Fumaric acid	DTXSID3021518	0	0	0	3.961748634	8.02919708	2.818255788	0.260064096	8.332457768	2.374369838	8.255559185	10.03537195
C110235477	110235-47-7	Mepanipyrim	DTXSID4042121	0	0	0	6.583722136	5.198776758	4.429028815	0.153145047	5.894412293	4.875877833	69.28199189	58.91247948
C110258	110-25-8	Oleyl sarcosine	DTXSID5042243	0	0	109.9876059	14.62047886	23.71871275	1.291956935	0.133859393	39.10198027	3.228222088	37.27000118	32.98316971
C110269	110-26-9	"N,N'-Methylenebisacrylamide"	DTXSID8025595	0	0	0	3.034055728	0.665642601	4.12139378	0.2781802	31.71829462	25.73642907	67.29614952	24.8872964
C110270	110-27-0	Isopropyl tetradecanoic acid	DTXSID0026838	0	0	0	2.917771883	4.033214709	49.22416875	0.206052963	21.39093828	1.86209046	99.21012489	14.84569883
C110338	110-33-8	Dihexyl hexanedioate	DTXSID9026841	0	5.35960955	0	0.952380952	2.386117137	8.065153011	0.499179384	37.10623223	3.611784095	15.09439013	14.33078068
C110429	110-42-9	Methyl decanoate	DTXSID4026842	0	0	0	1.546391753	3.115455101	1.809146495	0.200808285	11.30608175	3.192529685	17.35262712	27.01833242
C110430	110-43-0	2-Heptanone	DTXSID5021916	0	0	0	6.651376147	1.461632156	3.62784186	0.105761706	16.52661064	4.250952382	9.917984845	15.86421529
C110441	110-44-1	Sorbic acid	DTXSID3021277	0	0	0	5.131128848	4.48608745	1.71561051	0.400976505	19.14693724	2.576091085	16.62641057	14.23277719
C110488705	110488-70-5	Dimethomorph	DTXSID7034545	86.26228298	45.58298312	24.86991123	15.66548881	12.11180124	6.052393857	0.269771649	14.69896735	1.325217706	50.14853625	97.70686771
C110623	110-62-3	Pentanal	DTXSID7021653	0	0	0	2.380952381	1.090188305	7.461523476	0.334217732	22.4930998	5.531827527	12.42612293	11.05584845
C110634	110-63-4	"1,4-Butanediol"	DTXSID2024666	0	0	0	9.393063584	2.230483271	1.720185943	0.222316216	15.24985586	2.232882807	9.056085444	15.44599074
C110656	110-65-6	"2-Butyne-1,4-diol"	DTXSID4021921	0	0	0	3.516921035	0.541190619	11.35741296	0.249934704	28.0587262	2.768825632	12.26955848	12.68517858
C110690	110-69-0	Butanal oxime	DTXSID2024664	0	0	0	3.164556962	2.755453502	61.70108161	0.180832973	13.51380817	2.220961141	10.95566118	12.77394747
C110736	110-73-6	2-(Ethylamino)ethanol	DTXSID9021922	0	0	0	3.678474114	1.028571429	11.72523812	0.308432112	9.390135943	2.597754122	12.13205804	16.53341857
C110805	110-80-5	2-Ethoxyethanol	DTXSID7024087	18.22682965	0	0	5.45037292	0.464156782	8.61212322	0.349704987	20.46814914	4.780033715	16.85344792	12.99319586
C110850	110-85-0	Piperazine	DTXSID1021164	0	0	0	0.993204391	1.675977654	4.841042893	0.460040994	17.51631238	1.976463309	13.53098563	8.633111117
C110872	110-87-2	"3,4-Dihydro-2H-pyran"	DTXSID6041426	0	0	0	2.051983584	2.120535714	6.010719755	-0.006411685	17.26642245	3.487195332	4.387568556	29.12281716
C110918	110-91-8	Morpholine	DTXSID2025688	0	0	0	1.64765526	0.687285223	1.509619724	0.196220255	18.92494452	5.672956279	9.264028284	22.49000328
C110974	110-97-4	Diisopropanolamine	DTXSID8020179	0	0	0	4.163726182	1.635372502	10.64393939	0.499756783	14.89003578	3.563634948	14.30737798	12.22923446
C11099073	11099-07-3	Glyceryl stearates	DTXSID9029304	0	0	0	8.899143045	7.781350482	6.418795287	0.216947244	10.81749866	3.875135789	10.09890204	15.81194134
C111115	111-11-5	Methyl octanoate	DTXSID2026864	0	0	0	5.074626866	2.200220022	12.53468255	0.292351482	10.38415668	3.815730506	9.925432708	23.07929761
C111148	111-14-8	Heptanoic acid	DTXSID2021600	0	0	0	6.272189349	2.123552124	4.19100686	0.297117933	16.56174404	4.083358854	12.07368461	19.5962721
C111159	111-15-9	2-Ethoxyethyl acetate	DTXSID9021928	0	0	0	4.547830633	3.463687151	7.135407906	0.202408047	465.3699978	18.42297662	230.7562275	89.41519786
C1111780	1111-78-0	Ammonium carbamate	DTXSID9027360	0	0	0	9.116214335	2.413184226	4.129392971	0.186337464	10.88200189	3.422259672	14.2128406	9.245720389
C111206	111-20-6	Decanedioic acid	DTXSID7026867	0	0	0	3.596214511	1.28597673	1.896563098	0.318751258	13.38256299	3.930767801	12.35485211	19.47781035
C111217	111-21-7	Triethylene glycol diacetate	DTXSID3026223	0	0	0	4.119402985	2.420242024	13.49763343	0.095471574	16.48925876	2.417371637	7.746705756	16.04009205
C1112396	1112-39-6	Dimethoxydimethylsilane	DTXSID0042379	0	0	0	3.967168263	4.910714286	5.015313936	0.155823739	9.265353973	4.174944422	44.85317639	9.176061404
C111273	111-27-3	1-Hexanol	DTXSID8021931	0	0	0	3.36906585	1.496259352	5.71203078	0.257522947	9.667701757	3.603964324	6.861990067	14.62085767
C111308	111-30-8	Glutaraldehyde	DTXSID6025355	81.42419602	0	0	7.515337423	10.40189125	101.2682815	0.113978596	19.62370005	2.377553837	26.39915523	21.1101336
C111400	111-40-0	Diethylenetriamine	DTXSID2025050	0	0	0	5.634604439	6.825938567	4.154124022	0.182206221	21.13496162	2.588239721	137.6086957	10.16835433
C111422	111-42-2	Diethanolamine	DTXSID3021932	0	0	0	6.751592357	5.144694534	10.5252981	0.103326408	15.22567703	13.63238611	60.82997119	15.6148633
C111444	111-44-4	Bis(2-chloroethyl) ether	DTXSID9020168	0	0	0	4.598930481	2.886597938	17.12088457	0.174405458	22.61809448	2.637234831	8.266319002	16.36455265
C111466	111-46-6	Diethylene glycol	DTXSID8020462	0	0	0	7.898089172	3.186504217	7.140120066	0.803421896	19.21393938	1.897099674	61.75561798	11.21162195
C1114712	1114-71-2	Pebulate	DTXSID8021199	0	0	0	2.230483271	0.646551724	4.512786228	0.346571833	12.33817058	3.122700024	11.26738042	19.24489598
C111499	111-49-9	Hexamethyleneimine	DTXSID1026879	0	0	0	1.392405063	0.962566845	8.243596592	0.050728128	15.92223458	2.989384891	10.98620992	19.66140099
C111557	111-55-7	"1,2-Ethanediol diacetate"	DTXSID0026880	0	0	0	5.188679245	1.90023753	6.71659534	0.173047577	28.31119545	5.064188399	13.76167651	15.77620018
C111626	111-62-6	Ethyl oleate	DTXSID3047633	0	0	0	1.893287435	2.527075812	14.99674388	0.14307352	13.53234111	3.181009927	16.26192778	19.09930776
C111693	111-69-3	Hexanedinitrile	DTXSID3021936	12.99982985	0	0	3.046357616	2.166847237	4.86953958	0.30266352	47.45113842	2.070235469	10.70628005	11.42822838
C111706	111-70-6	1-Heptanol	DTXSID8021937	0	0	0	11.58256881	3.288672351	6.147852817	0.144810929	31.57262905	2.320796467	19.29829586	11.83860898
C111717	111-71-7	Heptanal	DTXSID0021597	0	0	0	2.476999292	2.996670366	8.766917293	0.390121314	30.00821323	3.071645726	19.70378159	9.409354504
C111762	111-76-2	2-Butoxyethanol	DTXSID1024097	0	0	0	4.358208955	4.400440044	7.295576954	0.096121924	35.81612931	3.802651771	10.4532228	15.51725662
C111773	111-77-3	Diethylene glycol monomethyl ether	DTXSID3025049	0	0	0	1.721854305	1.73347779	8.279691416	0.277924368	340.1073936	8.156436197	101.7305073	26.73167332
C111812589	111812-58-9	"Fenpyroximate (Z,E)"	DTXSID2032550	0	0	0	26.98019802	48.29774957	0.146385523	0.584500764	30.61280474	5.040394665	107.1425919	117.0658963
C111820	111-82-0	Methyl dodecanoate	DTXSID5026889	0	0	0	7.588357588	4.588910134	7.061058345	0.195203921	10.15834244	4.025039085	15.12640449	19.34364963
C111842	111-84-2	Nonane	DTXSID9025796	0	0	0	0.71942446	1.815823606	4.916763453	0.20674221	27.10140079	2.968235096	13.02800557	14.0653227
C1118463	1118-46-3	Butyltin trichloride	DTXSID0029210	0	54.73017461	0	3.125	1.70261067	6.369213608	0.159819219	17.58260938	3.237471241	23.883771	21.93019761
C111875	111-87-5	1-Octanol	DTXSID7021940	0	0	0	1.860712387	1.967213115	1.143015163	0.313510778	16.86647623	61.00375493	7.577620658	13.35831051
C1118929	1118-92-9	"N,N-Dimethyloctanamide"	DTXSID9027364	0	0	0	1.829652997	2.633190447	4.558348176	0.166483808	27.35955966	4.006829969	17.78583212	20.59371004
C111900	111-90-0	2-(2-Ethoxyethoxy)ethanol	DTXSID2021941	0	0	0	2.482269504	2.561366062	9.829154648	0.487493232	27.60879738	2.379499503	10.50146857	8.890998629
C1119400	1119-40-0	Dimethyl glutarate	DTXSID3025122	0	0	0	6.369426752	3.186504217	3.001660493	0.351461013	34.28093951	2.09195812	14.15119606	11.04810733
C111966	111-96-6	Bis(2-methoxyethyl) ether	DTXSID1024621	0	0	0	14.25206125	3.830227743	7.58377425	0.436892203	57.12104689	2.597982753	9.186046512	16.09070434
C111988499	111988-49-9	Thiacloprid	DTXSID7034961	0	0	0	6.281833616	6.503198294	16.30727763	0.061616114	13.88903425	23.9915128	13.83985313	19.93194358
C111991094	111991-09-4	Nicosulfuron	DTXSID6034764	0	5.104492766	0	4.114957544	0.709994539	2.436135146	0.304282692	12.20849313	4.960053949	15.12588173	51.71221915
C1120010	1120-01-0	Sodium hexyldecyl sulfate	DTXSID0042400	0	0	69.13388878	6.900452489	3.744493392	1.866197183	0.288913038	16.58143207	3.434839555	16.16384832	16.94757625
C1120043	1120-04-3	Octadecyl sulfate sodium salt	DTXSID6047103	0	0	0	28.47058824	21.3801602	6.433695904	0.217173574	21.60779455	3.385427592	47.0290966	27.20237931
C112005	112-00-5	Dodecyltrimethylammonium chloride	DTXSID1026900	0	0	0	61.48997135	88.45500849	3.603026029	0.382022442	23.95055971	1.785358832	112.4260355	115.3594839
C1120214	1120-21-4	Undecane	DTXSID9021689	13.22051434	0	0	5.593308939	5.027932961	3.232968881	0.14232054	27.77376655	4.362811271	17.48080379	12.0735659
C1120361	1120-36-1	1-Tetradecene	DTXSID4027367	0	0	0	2	1.388050694	3.685823043	0.201915439	20.60606263	3.211774126	21.5731086	8.60783016
C112050	112-05-0	Nonanoic acid	DTXSID3021641	0	0	0	6.341463415	5.732484076	5.630478759	0.288848724	29.89195678	2.209373252	18.5815824	10.08011333
C1120714	1120-71-4	"1,3-Propane sultone"	DTXSID8021195	0	0	0	1.918735892	1.485148515	6.897270265	0.365742203	18.83397032	2.998590989	18.46320475	84.64970685
C112072	112-07-2	2-Butoxyethyl acetate	DTXSID1026904	0	0	0	1.732811627	0.986436498	16.56998066	0.207394752	52.26153499	5.389628328	79.46151609	16.46149244
C112129	112-12-9	2-Undecanone	DTXSID2021943	0	0	0	1.315789474	3.291713961	11.9557459	0.22378359	10.13441333	4.352686331	12.8850955	8.744854911
C112141	112-14-1	Octyl acetate	DTXSID8044202	0	0	0	2.578018996	0.699300699	3.679195341	0.271780448	9.090022144	2.908981243	17.56199711	12.37052434
C112185	112-18-5	"N,N-Dimethyldodecan-1-amine"	DTXSID1026906	30.06603384	5.332859752	9.620081411	87.04028021	3.492433062	1.376515806	0.196075575	19.15897033	3.34688707	18.88377562	16.54641029
C112226616	112226-61-6	Halofenozide	DTXSID4032619	0	0	0	9.27444795	30.92467851	1.441387954	0.183507537	9.629749915	3.004971604	32.40534165	19.9034069
C112254	112-25-4	2-(Hexyloxy)ethanol	DTXSID1026908	0	0	0	2.622169249	1.943634597	5.391351943	0.192448056	12.29062396	5.073598601	15.36220537	11.5758317
C112276	112-27-6	Triethylene glycol	DTXSID4021393	0	0	0	4.294478528	4.371584699	2.941907682	0.10977558	15.67898535	3.689329027	58.80913308	8.579705882
C112281773	112281-77-3	Tetraconazole	DTXSID8034956	91.70006946	58.43328147	0	75.38659794	68.38156484	2.121684867	0.02775731	10.69510389	1.390732521	117.0832255	114.7376247
C112301	112-30-1	1-Decanol	DTXSID7021946	0	0	0	11.40939597	3.761755486	4.693259972	0.195537217	22.83254678	3.256228396	15.28857309	11.93312343
C112312	112-31-2	Decanal	DTXSID4021553	0	0	0	4.352941176	1.786814541	186.7391807	0.121204092	11.02775728	3.434718984	55.1817652	17.87209412
C112345	112-34-5	2-(2-Butoxyethoxy)ethanol	DTXSID8021519	13.39504796	0	0	7.507163324	4.607843137	3.442045352	0.540882934	38.0236824	5.089035955	13.56572747	10.37223636
C112356	112-35-6	2-[2-(2-Methoxyethoxy)ethoxy]ethanol	DTXSID5026912	0	0	0	3.981623277	1.246882793	3.847481872	0.482181591	17.22819614	112.0766304	11.59399773	9.597563064
C112389	112-38-9	10-Undecenoic acid	DTXSID8035001	0	0	0	7.860011474	2.836513667	9.473335542	0.152578445	10.55939584	1.311334173	28.62232779	17.0067214
C112410238	112410-23-8	Tebufenozide	DTXSID4034948	0	0	0	17.95418221	9.573459716	7.105921601	0.460223255	21.55939903	1.959181237	89.39445775	61.63257698
C112425	112-42-5	1-Undecanol	DTXSID0026915	0	0	0	6.447368421	6.75146771	11.01380589	0.633245324	23.08996654	7.543353982	10.30429147	12.21096985
C112492	112-49-2	Triethylene glycol dimethyl ether	DTXSID8026224	0	0	0	1.222753854	1.420765027	6.291192331	0.199327873	10.97946529	3.833507204	24.31095544	20.77790654
C112505	112-50-5	2-[2-(2-Ethoxyethoxy)ethoxy]ethanol	DTXSID3024368	0	0	0	2.711323764	3.93442623	5.055998525	0.181371648	16.87633056	1.511857161	15.72025375	11.98416116
C112529154	112529-15-4	Pioglitazone hydrochloride	DTXSID3044203	0	0	0	1.411395714	4.022346369	8.507989907	0.068671515	21.67274385	4.075449297	192.972973	24.93130586
C112538	112-53-8	1-Dodecanol	DTXSID5026918	0	0	0	10.51314143	7.740916272	7.981379602	0.151226863	18.07855218	3.44658451	25.65054756	16.99797234
C112550	112-55-0	1-Dodecanethiol	DTXSID6025220	0	0	0	7.567567568	19.78545888	6.768665392	0.396798381	17.9073462	2.058943751	19.19941626	16.49220991
C112607	112-60-7	Tetraethylene glycol	DTXSID9026922	0	9.24499033	0	2.453531599	3.008423586	31.92220211	0.33665127	25.35904212	4.160499941	19.30395094	18.51925044
C112630	112-63-0	Methyl linoleate	DTXSID7020843	81.23059006	44.42995022	80.07936508	69.79534227	86.79588128	5	0.690989385	55.81784099	101.4723461	94.03998634	14.16925433
C112709	112-70-9	1-Tridecanol	DTXSID2021947	0	0	0	9.87804878	12.10191083	252.29265	0.750523699	12.54262612	4.090363281	15.62140061	12.59189479
C112721	112-72-1	1-Tetradecanol	DTXSID9026926	0	0	0	12.56410256	66.70658683	214.8817803	0.199327873	9.602093561	5.451146087	20.06442867	13.95119708
C112733069	112733-06-9	Zenarestat	DTXSID0047296	0	0	0	5.376344086	7.995735608	37.39892183	0.584962501	14.16819745	2.60913849	27.93613924	13.22568665
C112801	112-80-1	Oleic acid	DTXSID1025809	0	0	0	2.43902439	4.421768707	5.058791359	0.090637448	27.08512258	7.728026244	70.72905332	18.70603468
C112809515	112809-51-5	Letrozole	DTXSID4023202	0	50.9859898	0	6.505102041	4.046920821	25.24567943	0.453211492	165.4676259	2.021034382	47.14964371	41.37477946
C113136779	113136-77-9	Cyclanilide	DTXSID5032600	0	0	0	9.713024283	8.458864426	2.873040133	0.090365676	19.51481783	28.9968052	106.0790885	54.42041489
C1134232	1134-23-2	Cycloate	DTXSID6032356	0	0	0	5.630354957	3.023516237	1.956934354	0.291138588	47.99901625	3.47715942	10.13344154	17.96260672
C113484	113-48-4	MGK-264	DTXSID6032562	42.71087316	0	23.13385827	36.13832853	29.9591002	4.015588584	0.113593826	6.264226383	1.634359144	64.49704142	68.88612528
C113734182	113734-18-2	CP-114271	DTXSID2047274	0	0	0	4.212348529	5.617977528	4.870436234	0.378511623	14.79905508	2.772059618	4.709178825	100.2313348
C114078	114-07-8	Erythromycin	DTXSID4022991	0	0	0	4.032258065	8.664259928	3.631738989	0.360574023	21.00746608	1.417984533	43.71700106	16.99890842
C114261	114-26-1	Propoxur	DTXSID7021948	0	0	0	3.057324841	8.467309753	8.746374476	0.49070308	11.93016853	2.713408703	7.909987224	25.11998979
C114311329	114311-32-9	Imazamox	DTXSID3034664	0	0	0	5.712637046	5.189941145	1.625898236	0.147036097	11.07291585	5.288306305	15.24360042	28.07258508
C1143380	1143-38-0	Anthralin	DTXSID7024538	0	0	0	4.139433551	7.890818859	18.98734177	0.26408402	16.51976314	2.394465412	82.62331839	15.87458311
C114369436	114369-43-6	Fenbuconazole	DTXSID8032548	0	0	24.29737081	39.77204559	81.52524168	1.018329939	0.296808745	10.01501212	2.347880418	118.3619642	118.6157842
C115286	115-28-6	Chlorendic acid	DTXSID2020268	0	0	0	2.502979738	3.790087464	4.369640577	0.194531365	11.47554181	3.477955848	5.379213483	9.603633053
C115297	115-29-7	Endosulfan	DTXSID1020560	5.226920895	0	8.548387097	51.62950257	57.45856354	4.713743905	0.103737938	103.7458848	1.410015892	86.30241597	94.3873853
C115322	115-32-2	Dicofol	DTXSID4020450	22.91757154	0	29.93725725	65.58197747	47.97261717	11.71674425	0.36859278	28.30431613	4.256250474	88.04361256	95.92221147
C115399	115-39-9	Bromophenol blue	DTXSID6041682	0	57.80155519	88.58813339	4.26152948	6.169965076	64.46980306	0.438375036	74.5757298	2.070156463	8.542804488	98.47688171
C1156190	1156-19-0	Tolazamide	DTXSID3021358	0	0	0	1.773049645	3.991006183	1.352969015	0.200782127	34.84347657	5.99135155	60.84592145	18.85989535
C115775	115-77-5	Pentaerythritol	DTXSID2026943	0	0	0	3.596403596	1.6	4.675745167	0.225387119	101.6218523	90.14671931	8.42081774	17.58983798
C115866	115-86-6	Triphenyl phosphate	DTXSID1021952	0	0	0	10.82802548	49.41050375	8.140509185	0.186920482	23.49525837	2.928531111	122.7501397	52.21999981
C115957	115-95-7	Linalyl acetate	DTXSID7026946	0	0	0	17.84386617	3.663793103	5.047634966	0.972676982	13.10614563	8.155721157	11.48336799	12.33152239
C115968	115-96-8	Tris(2-chloroethyl) phosphate	DTXSID5021411	0	0	0	6.078665077	2.332361516	2.016055464	0.400087158	17.46811941	1.270736882	33.48790813	12.96381543
C116029	116-02-9	"3,3,5-Trimethylcyclohexanol"	DTXSID9041815	0	0	0	5.313351499	3.885714286	3.823957209	0.473936066	12.74433977	4.038358791	14.4705842	23.57068751
C116063	116-06-3	Aldicarb	DTXSID0039223	9.698000786	0	14.64479229	3.791469194	3.604531411	25.63095906	0.435690112	17.58318742	1.686612115	16.53460999	23.63906718
C116255482	116255-48-2	Bromuconazole	DTXSID9032531	0	85.77780329	0	45.52023121	46.09665428	1.840149097	0.063958704	14.5971656	5.135690914	99.7892369	112.6427732
C116256	116-25-6	"1-(Hydroxymethyl)-5,5-dimethylhydantoin"	DTXSID6035152	0	0	0	7.867730901	2.786069652	2.58239798	0.187849411	11.92529453	2.029258351	19.30762201	18.28300633
C1166525	1166-52-5	Dodecyl gallate	DTXSID0048189	0	0	0	76.91326531	83.92961877	3.10064385	0.183120875	74.4750775	2.424130674	102.1851194	111.4042736
C116714466	116714-46-6	Novaluron	DTXSID5034773	0	0	0	7.70962296	2.996670366	5.568063953	0.181395266	58.59695475	3.215436571	8.003209626	26.35573099
C117088	117-08-8	Tetrachlorophthalic anhydride	DTXSID7026102	0	0	0	4.893177119	0.30284676	8.358473824	0.174145976	21.95974657	12.19774157	13.6117848	23.70295488
C117337196	117337-19-6	Fluthiacet-methyl	DTXSID2032556	0	0	24.20440636	16.16438356	10.36414566	17.5391562	0.184223384	16.28633595	6.681585024	13.9109994	16.51705211
C117395	117-39-5	Quercetin	DTXSID4021218	31.25	0	0	13.67164179	6.820682068	4.390403134	0.402200034	188.7669935	115.9423985	13.62203413	102.9413653
C117428225	117428-22-5	Picoxystrobin	DTXSID9047542	0	0	0	29.82248521	21.04247104	1.66262245	0.339200457	11.28796952	4.85194449	119.39995	115.9754576
C117718602	117718-60-2	Thiazopyr	DTXSID1032488	0	0	0	20.37144515	24.53450164	9.835663478	0.181115276	11.35667396	2.583297424	25.64276662	52.33153919
C117793	117-79-3	2-Aminoanthraquinone	DTXSID6020068	0	77.37614363	0	26.52844232	22.18579235	4.318569387	0.554155415	18.74407133	21.15537808	119.4060978	8.28767804
C117806	117-80-6	Dichlone	DTXSID7020425	0	0	0	94.84831139	102.0214031	6.397204072	0.14872888	21.87357842	1.629996541	87.94585173	111.3834098
C117817	117-81-7	Di(2-ethylhexyl) phthalate	DTXSID5020607	10.29803098	0	24.71386181	15.87651599	18.79049676	8.966163607	0.354700393	684.8023715	207.497189	300.5537099	26.68818327
C117840	117-84-0	Dioctyl phthalate	DTXSID1021956	0	0	0	5.617977528	11.9047619	30.88363345	0.310129524	11.78310051	5.5859388	93.86181004	13.42578456
C117997	117-99-7	2-Hydroxybenzophenone	DTXSID5047879	0	0	0	6.889352818	9.575757576	3.905750799	0.237462779	66.43568438	1.322650649	11.22129179	47.26026449
C118134308	118134-30-8	Spiroxamine	DTXSID1034212	9.307217037	0	0	5.609756098	105.9447983	10.78894134	0.167048241	9.758799786	1.992784451	18.12646727	18.06376994
C118478	118-47-8	Pyrazolone T	DTXSID5041273	0	0	0	3.131524008	1.440200376	2.222983281	0.26247963	15.24225035	1.951873152	14.86635357	10.3523796
C118525	118-52-5	"1,3-Dichloro-5,5-dimethylhydantoin"	DTXSID4024985	0	0	0	2.628285357	4.160084255	4.97390323	0.424151206	31.72501251	1.976716813	14.2443118	8.85947008
C118558	118-55-8	Phenyl salicylate	DTXSID6021957	0	0	0	13.58300727	3.452527744	29.79929319	0.086613427	13.58344045	7.325376378	78.5039539	18.78300473
C118569	118-56-9	"3,3,5-Trimethylcyclohexyl salicylate"	DTXSID1026241	0	0	0	108.630137	133.059789	6.625455097	0.082013072	18.04883458	2.801759728	78.50356295	37.70176045
C118581	118-58-1	Benzyl salicylate	DTXSID1024598	0	0	0	1.873111782	2.89279637	6.347675092	0.369795484	66.34063364	2.515785606	18.27055145	108.9369188
C118718	118-71-8	Maltol	DTXSID0025523	0	0	0	13.74865736	1.543056247	4.779198141	0.235515776	26.7096188	3.33984058	11.75183457	20.26429382
C118796	118-79-6	"2,4,6-Tribromophenol"	DTXSID6021959	0	0	0	5.329949239	15.15850144	3.245813521	0.292889042	60.48478016	1.76637704	21.30730497	18.14588476
C118821	118-82-1	"4,4'-Methylenebis(2,6-di-t-butylphenol)"	DTXSID7022411	0	0	0	-0.765306122	14.60410557	2.727888851	0.179754593	31.54413993	2.974694307	129.4577977	22.22964738
C1189088	1189-08-8	"1,3-Butyleneglycol dimethacrylate"	DTXSID5044784	0	0	0	3.150684932	2.964959569	7.383769985	0.254492017	15.43800145	2.262882037	6.889099769	16.67293611
C118934	118-93-4	2-Hydroxyacetophenone	DTXSID7040285	0	0	0	5.207226355	2.573099415	9.014248328	0.259002469	16.97934174	2.371278978	15.60983262	12.03991775
C119073	119-07-3	Octyl decyl phthalate	DTXSID1047497	0	0	0	1.918465228	4.280155642	6.387921022	0.187525944	7.823155259	7.023944764	39.87382633	9.574821249
C1191500	1191-50-0	Sodium myristyl sulfate	DTXSID4042416	0	0	94.52948395	18.05638872	33.08270677	4.816425387	0.128843616	29.84627117	2.262032228	15.85365854	23.31112364
C119168773	119168-77-3	Tebufenpyrad	DTXSID0034223	0	0	0	36.63003663	81.10151188	0.477203473	0.28479838	18.2768716	1.002585106	116.0783975	120.1656203
C1191914212	1191914-21-2	PharmaGSID_48521	DTXSID8048521	0	0	0	2.232398397	1.426872771	185.3821608	0.126465775	14.72434961	2.032060919	11.21900605	9.168958586
C1192525	1192-52-5	"4,5-Dichloro-3H-1,2-dithiol-3-one"	DTXSID6032518	0	0	0	74.71655329	91.93646915	1.567487056	0.255747279	13.07711071	2.327064055	77.47828231	106.8954153
C119368	119-36-8	Methyl salicylate	DTXSID5025659	0	0	0	10.76923077	7.425149701	11.1961057	0.288541281	9.145402103	3.279620366	68.58631515	13.92704952
C119446683	119446-68-3	Difenoconazole	DTXSID4032372	0	0	0	64.17910448	68.04347826	102.6294821	0.47531973	11.8039918	2.283548081	117.664294	114.0559592
C1194656	1194-65-6	Dichlobenil	DTXSID5032365	22.6227209	0	11.85549525	2.02247191	3.401360544	15.69781617	0.247428177	21.78238949	2.222053105	19.76011968	14.08796747
C119471	119-47-1	"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)"	DTXSID4020870	0	0	0	87.53424658	88.15943728	1.168082524	0.282943732	290.4868271	3.02884806	96.23144282	113.1038734
C119515387	119515-38-7	Icaridin	DTXSID0034227	0	0	0	3.636363636	2.19895288	3.483322554	0.201196463	86.25832239	44.37225521	15.44215699	15.69016151
C119539	119-53-9	Benzoin	DTXSID1020144	0	0	0	2.967741935	127.7300613	1.696879397	0.209489573	12.08279394	1.407304883	119.306184	65.96552034
C119619	119-61-9	Benzophenone	DTXSID0021961	0	0	0	4.635761589	5.793742758	3.776339063	0.200584552	15.87601132	2.245824493	95	13.6023593
C119642	119-64-2	Tetralin	DTXSID1026118	0	0	0	2.420382166	2.224694105	1.077522056	0.169447898	23.91703885	3.935879839	18.88133189	25.52749841
C119904	119-90-4	"3,3'-Dimethoxybenzidine"	DTXSID3025091	0	48.97966403	0	7.65606596	13.90186916	4.537331215	0.637429921	28.06244996	6.679770213	54.42118929	90.58418781
C119937	119-93-7	"3,3'-Dimethylbenzidine"	DTXSID5024059	0	67.52719887	0	9.886159377	8.448371066	11.03202847	0.413461644	86.127419	7.867230498	33.33943861	83.60287428
C120068373	120068-37-3	Fipronil	DTXSID4034609	0	0	0	31.80827887	41.53846154	17.10902409	0.178670029	34.47773784	37.60423337	117.9129293	116.5188902
C120116883	120116-88-3	Cyazofamid	DTXSID9034492	0	0	0	12.88936627	32.30462917	5.418361418	0.270745456	18.82007135	1.925420924	112.5072571	113.5333274
C120127	120-12-7	Anthracene	DTXSID0023878	0	0	0	6.149253731	5.610561056	14.08519667	0.469760686	16.29334321	14.09997233	13.73618276	40.89585354
C120149	120-14-9	Veratraldehyde	DTXSID7026285	0	0	0	7.36984449	1.664684899	10.0668839	0.232415607	6.31512166	4.764350859	56.80971687	23.21772824
C120183	120-18-3	Naphthalene-2-sulfonic acid	DTXSID5044788	0	0	0	1.675257732	3.35980452	196.807658	0.243123863	20.57212047	2.13789677	55.94206699	18.83602471
C120321	120-32-1	Clorophene	DTXSID5020154	88.25250192	71.81372407	87.49217086	54.78723404	42.48021108	1.761487965	0.314617521	12.66402833	1.355579795	109.5712064	104.6631551
C120365	120-36-5	Dichlorprop	DTXSID0020440	0	0	0	4.338734971	8.379888268	4.053826745	0.195822337	21.5952482	2.168074695	19.21643224	50.53208702
C120467	120-46-7	"1,3-Diphenyl-1,3-propanedione"	DTXSID3041247	0	0	0	1.169590643	7.718501703	12.8955508	0.133104102	25.0387348	14.11853273	70.72563064	20.28753162
C120478	120-47-8	Ethylparaben	DTXSID9022528	20.21777516	6.592348482	14.58150745	4.417670683	6.918865107	3.050552005	0.363293416	17.6369129	1.083896716	81.82897862	31.99813561
C120511731	120511-73-1	Anastrozole	DTXSID9022607	0	0	0	2.490660025	3.241013553	3.572626635	0.117414397	5.986171438	3.570683889	39.0736342	18.28411275
C120514	120-51-4	Benzyl benzoate	DTXSID8029153	0	0	0	6.093906094	4.8	3.675762755	0.139099845	54.94530538	4.532313551	15.30822092	18.05265584
C120558	120-55-8	Diethylene glycol dibenzoate	DTXSID0026967	0	0	0	15.7485418	6.539966462	10.25388703	0.130497135	12.40473207	3.658258471	17.14396281	13.17168478
C120569	120-56-9	Triethylene glycol dibenzoate	DTXSID7029611	0	0	0	24.80211082	11.4416476	4.028759518	0.142482018	42.72333	4.941223026	17.59035234	12.82665746
C120616	120-61-6	Dimethyl terephthalate	DTXSID0020498	18.26522102	0	0	6.097560976	3.609341826	13.08159137	0.566668716	95.14030412	2.343589822	14.53666128	10.2637014
C120650	120-65-0	2-((Dimethylamino)methyl)phenol	DTXSID3041293	0	0	0	1.779828609	1.247165533	14.57478808	0.280243899	20.09188956	2.145465135	14.27543391	27.90531048
C120718	120-71-8	2-Methoxy-5-methylaniline	DTXSID1020350	0	0	0	9.395973154	4.702194357	8.808803301	0.579397799	22.11354455	25.23651456	10.30679749	14.49697846
C120729	120-72-9	Indole	DTXSID0020737	0	0	0	1.700680272	3.84850336	9.795020923	0.208082692	8.194670577	5.118740188	18.19399501	17.41732495
C120809	120-80-9	Catechol	DTXSID3020257	0	0	0	3.376906318	2.431761787	17.68068599	0.56031473	26.5193249	13.71592555	19.99620696	41.00947977
C120821	120-82-1	"1,2,4-Trichlorobenzene"	DTXSID0021965	0	0	0	4.145936982	6.549707602	8.452927143	0.269051912	10.39834499	2.04685993	10.77380481	6.048406271
C120832	120-83-2	"2,4-Dichlorophenol"	DTXSID1020439	0	0	0	11.38669673	2.110199297	75.86123826	0.487723199	21.55053974	2.055159781	15.62417144	71.89934334
C120923	120-92-3	Cyclopentanone	DTXSID3029154	0	0	0	5.555555556	4.426787741	2.474423031	0.189881293	12.5850182	3.513536796	13.53335572	15.62013315
C120956	120-95-6	"2,4-Bis(2-methylbutan-2-yl)phenol"	DTXSID9026974	22.36577441	0	0	68.18791946	55.69487983	9.612104539	0.526872765	27.75756666	2.879163721	48.01825659	111.0505794
C121006	121-00-6	2-tert-Butyl-4-methoxyphenol	DTXSID7040788	37.15294495	26.54782329	0	9.319611206	7.403314917	7.96460177	0.183832575	12.49153852	2.846076425	23.93864204	49.79564632
C12108133	12108-13-3	(Methylcyclopentadienyl)tricarbonylmanganese	DTXSID9027738	0	0	0	4.225352113	1.317365269	4.870092042	0.170378416	16.52768123	2.92362584	10.67993898	24.69361718
C121142	121-14-2	"2,4-Dinitrotoluene"	DTXSID0020529	0	0	0	8.663366337	3.866128102	2.750179089	0.234110957	11.17540398	2.316955624	9.459246413	10.58680147
C121324	121-32-4	3-Ethoxy-4-hydroxybenzaldehyde	DTXSID5021968	0	0	0	2.43902439	4.648526077	4.752529396	0.272384483	9.803738939	2.128218086	50.41050903	15.54917849
C121335	121-33-5	4-Hydroxy-3-methoxybenzaldehyde	DTXSID0021969	0	0	0	5.131128848	1.078932425	106.7465224	0.511044853	16.44751024	1.935555842	70.2173913	17.71929068
C121391	121-39-1	Ethyl 3-phenylglycidate	DTXSID8025886	0	0	0	2.219692658	2.844141069	17.54632417	0.250303738	15.56318747	3.469033229	12.0247256	8.787631719
C1214397	1214-39-7	N-Benzyladenine	DTXSID7032630	0	0	0	2.762430939	8.490566038	7.531380753	0.232486442	49.26085968	4.376291814	41.79476439	40.97212954
C121552612	121552-61-2	Cyprodinil	DTXSID1032359	0	0	0	10.20895522	40.59405941	12.04504652	0.472175804	184.9840891	5.173677384	81.30766207	74.33614522
C121697	121-69-7	"N,N-Dimethylaniline"	DTXSID2020507	0	0	0	6.50887574	2.895752896	3.945358138	0.25026711	15.40709526	2.454612012	16.45310584	6.894111232
C121755	121-75-5	Malathion	DTXSID4020791	31.70463715	0	32.13957759	27.96208531	22.86302781	23.33146383	0.419552415	14.06853918	1.855109978	146.570122	75.32459923
C121799	121-79-9	Propyl gallate	DTXSID5021201	0	0	0	5.960264901	7.042253521	6.835044961	0.457983856	8.44278027	3.998735448	20.52608098	9.898464786
C121915	121-91-5	"1,3-Benzenedicarboxylic acid"	DTXSID3021485	0	0	0	9.069493522	4.906542056	6.264892772	0.485601922	15.38107299	3.241374811	8.68503568	14.25667934
C1219381	1219-38-1	Octylparaben	DTXSID0047957	0	0	0	22.76243094	66.15566038	6.198239792	0.36209918	6.518940082	2.816222417	26.18836401	112.6656205
C122008859	122008-85-9	Cyhalofop-butyl	DTXSID1034503	0	0	0	29.54149739	48.08324206	11.30733382	0.506720478	34.98642534	6.825070901	76.39689182	17.37193659
C122145	122-14-5	Fenitrothion	DTXSID4032613	97.01371148	95.3942573	63.05479033	42.56097561	64.22505308	17.90289953	0.271718606	11.87273217	6.220996607	89.4947349	107.7054515
C122203	122-20-3	Triisopropanolamine	DTXSID5021415	0	0	0	5.60875513	2.34375	7.120980092	0.221750588	14.71617418	2.9904296	12.32205636	11.61498831
C122349	122-34-9	Simazine	DTXSID4021268	8.269043546	0	33.43910547	11.24260355	1.544401544	4.059195351	0.375018575	48.85706209	4.390679789	31.00851577	63.55529684
C122394	122-39-4	Diphenylamine	DTXSID4021975	0	0	0	13.75422773	4.923798359	1.632136834	0.288102738	25.99354696	1.878114533	12.42314362	92.81185768
C122407	122-40-7	Pentylcinnamaldehyde	DTXSID8029157	0	0	0	3.64321608	1.175153889	6.353224834	0.149226975	29.12852216	4.054588191	15.75411378	31.39879178
C122429	122-42-9	Propham	DTXSID7020766	0	0	0	5.172413793	2.609727165	3.28923847	0.456206688	21.86452046	3.429020422	8.8	20.24223271
C122453730	122453-73-0	Chlorfenapyr	DTXSID9032533	0	0	0	22.95918367	93.7829912	1.829888174	0.35444752	24.28626124	3.014744411	119.3363186	111.5839018
C122510	122-51-0	Ethyl orthoformate	DTXSID8041957	0	0	0	3.048327138	2.527075812	1.53646196	0.106644114	66.50816294	1.51206846	15.89734081	23.78694238
C122576	122-57-6	Methyl styryl ketone	DTXSID4025662	0	0	0	24.82972136	36.8852459	12.74005951	0.091609721	17.84855303	2.501846365	17.96678164	15.62446736
C122623	122-62-3	Bis(2-ethylhexyl) decanedioate	DTXSID7025055	0	0	0	2.008608321	1.506931887	52.45378701	0.09158355	27.43032465	4.239472151	27.71291141	19.74865093
C122667	122-66-7	"1,2-Diphenylhydrazine"	DTXSID7020710	0	0	0	5.673758865	5.227655987	1.687035439	0.320478746	8.76156728	2.945421546	23.27582729	12.71471099
C122781	122-78-1	Phenylacetaldehyde	DTXSID3021483	0	20.30861809	0	7.387140903	9.709821429	6.814701378	0.320974967	8.831598953	3.157378338	17.9638139	14.0787899
C122836355	122836-35-5	Sulfentrazone	DTXSID6032645	0	0	0	2.352941176	1.780104712	3.309618405	0.28527423	16.00349063	16.1106053	13.3904628	14.98426525
C122883	122-88-3	4-Chlorophenoxyacetic acid	DTXSID9034282	0	0	0	6.539966462	2.219482121	36.52063746	0.189401723	28.02434906	1.59677453	10.16304227	15.92265811
C122996	122-99-6	2-Phenoxyethanol	DTXSID9021976	0	0	0	5.477980666	4.828272773	4.081929111	0.224435479	19.07729314	3.318253144	44.51003542	17.15410346
C123002	123-00-2	4-Morpholinepropanamine	DTXSID4041521	0	0	0	2.432432432	2.383790226	3.828702141	0.270397794	9.839455479	8.485622028	12.49241721	6.418464796
C123013	123-01-3	Dodecylbenzene	DTXSID7026994	0	0	0	10.87267525	10.31286211	13.04008329	0.126029022	7.753730677	4.365788323	13.87593323	12.20845068
C123057	123-05-7	2-Ethylhexanal	DTXSID9025291	0	0	0	3.058823529	3.635243376	5.716269382	0.111221153	16.96454833	2.299312848	19.25095758	29.18283509
C123079	123-07-9	4-Ethylphenol	DTXSID4021977	0	0	0	2.603369066	1.995012469	4.296354758	0.010106486	7.80127894	2.163618585	17.80541802	16.40734715
C123115	123-11-5	4-Methoxybenzaldehyde	DTXSID2026997	0	0	0	5.660377358	2.612826603	8.999048978	0.299482076	32.59557344	1.80149487	9.538258531	12.30747979
C123122554	123122-55-4	Candoxatril	DTXSID6047286	0	0	0	1.694915254	5.086580087	3.198594025	0.137503524	27.30965114	2.278923158	13.88598256	11.87979178
C123171	123-17-1	"2,6,8-Trimethyl-4-nonanol"	DTXSID8029159	0	0	0	2.910216718	1.405152225	5.842575061	0.733570553	11.44287968	6.19227142	11.69987573	15.07948767
C123251	123-25-1	Diethyl butanedioate	DTXSID2038732	12.89453426	0	31.21488084	6.292134831	2.494331066	24.67695308	0.244943949	33.77940086	34.13618127	15.70097365	21.69988794
C123312890	123312-89-0	Pymetrozine	DTXSID2032637	0	0	0	8.568207441	5.744431419	4.866297278	0.145745465	6.127442102	3.322145796	19.38552635	18.47340089
C123319	123-31-9	Hydroquinone	DTXSID7020716	0	0	0	6.382978723	4.215851602	2.099050695	0.17339302	198.1922761	3.735482397	107.8478964	13.62205279
C123331	123-33-1	Maleic hydrazide	DTXSID9020792	0	0	0	2.361339923	2.989690722	2.497405742	0.360105776	18.95674334	2.798883488	14.27746217	7.48328959
C123343168	123343-16-8	Pyrithiobac-sodium	DTXSID8032673	0	0	0	14.36984688	4.865424431	1.251774423	0.48301279	9.273800196	2.702257999	16.59377927	15.96317943
C123353	123-35-3	Myrcene	DTXSID6025692	0	0	0	4.278074866	1.780104712	4.688164095	0.446795516	14.228461	2.509501886	13.13184081	27.26799803
C123422	123-42-2	Diacetone alcohol	DTXSID6024917	0	0	0	3.018625562	2.896871379	8.563248308	0.246402562	36.1768808	72.1631748	51.8523601	10.40013188
C123513	123-51-3	Isopentyl alcohol	DTXSID3025469	0	0	0	5.36809816	2.718676123	2.970749543	0.404085418	24.60658083	1.84050378	11.11234544	9.666853095
C123660	123-66-0	Ethyl hexanoate	DTXSID3021980	0	0	0	1.860785665	0.666262871	11.76574978	0.380118001	18.98223162	3.328706483	10.98781956	28.53738575
C123773	123-77-3	Azodicarbonamide	DTXSID0024553	0	0	0	6.886738759	1.478953356	9.559167837	0.047166046	25.15015015	3.306025854	12.66528303	16.62001742
C123922	123-92-2	3-Methylbutyl acetate	DTXSID9025453	0	0	22.61548395	5.494505495	5.263157895	4.23222827	0.157100961	15.32804335	2.566235648	17.07352096	12.7926514
C123966	123-96-6	2-Octanol	DTXSID0027014	0	0	0	2.598187311	2.098695406	17.19081613	0.23343409	14.66198265	2.487817348	38.27023014	14.63824844
C123999	123-99-9	Nonanedioic acid	DTXSID8021640	0	0	0	4.08719346	1.828571429	15.43189603	0.239300633	15.5129483	2.258755404	23.72994652	19.73429566
C124049	124-04-9	Hexanedioic acid	DTXSID7021605	0	0	0	2.295409182	1.814411612	3.098706234	0.160014074	21.46897952	3.557076145	81.73178458	8.130261948
C124072	124-07-2	Octanoic acid	DTXSID3021645	0	0	0	6.499429875	5.373134328	2.099398996	0.203973457	7.829824936	2.287527223	74.77578475	22.17406354
C124094	124-09-4	"1,6-Hexanediamine"	DTXSID5024922	0	0	0	4.80349345	1.923076923	7.022739291	0.538078949	10.99154539	2.552889651	11.51114951	11.45455843
C124130	124-13-0	Octanal	DTXSID3021643	0	0	0	2.492522433	5.952380952	8.189806678	0.364632546	25.74664054	23.78402414	15.17850109	21.88858611
C124185	124-18-5	Decane	DTXSID6024913	0	0	0	13.20512821	5.389221557	6.780250348	0.459243975	21.1183658	4.381204174	85.29184084	18.31569367
C1241947	1241-94-7	2-Ethylhexyl diphenyl phosphate	DTXSID1025300	0	0	0	3.49373764	22.57234727	1.317426627	0.741084117	15.98793363	1.771521598	11.23586653	47.29911907
C124196	124-19-6	Nonanal	DTXSID9021639	0	0	0	13.84829506	1.454545455	9.129392971	0.267404235	16.75845207	6.246065035	19.02745327	15.90665994
C124221	124-22-1	1-Dodecanamine	DTXSID3021984	0	0	0	85.45454545	69.17339963	11.1160083	0.139886175	12.56107011	2.418342315	79.76985895	18.11519793
C12427382	12427-38-2	Maneb	DTXSID9020794	0	0	41.02447869	21.06951872	49.07216495	6.722897544	0.123798608	13.10102763	2.177795636	14.96262609	21.77239417
C124378774	124378-77-4	Enadoline	DTXSID4047258	0	0	12.80741915	7.898089172	6.216505895	28.6883661	0.485426827	37.53387534	3.323831797	12.87360261	14.58290019
C124403	124-40-3	Dimethylamine	DTXSID5024057	0	0	0	3.91908976	1.084337349	2.734772968	0.247136507	15.69443546	2.824158466	20.20988794	11.123584
C124495187	124495-18-7	Quinoxyfen	DTXSID2034881	0	0	0	23.52941176	54.92364402	6.18705036	0.018847828	13.11832701	2.527659645	79.52013341	97.83396121
C124685	124-68-5	2-Amino-2-methylpropan-1-ol	DTXSID8027032	0	0	0	2.136457615	2.483343428	6.93877551	0.270519711	27.61535007	4.292648681	14.79021645	19.44160232
C124765	124-76-5	Isoborneol	DTXSID2042060	0	0	0	15.37926235	48.36363636	8.146964856	0.101864113	24.65046247	7.389796597	18.00988572	10.06491171
C124947	124-94-7	Triamcinolone	DTXSID1040742	88.07718046	30.13006415	0	16.20727674	5.698860228	10.98521704	0.58622268	47.6454393	412.9215098	35.14328808	8.793911763
C125116236	125116-23-6	Metconazole	DTXSID4034497	0	90.22402849	0	35.14265832	56.36363636	2.276357827	0.894940147	16.19233944	2.48615049	91.09310002	105.9633561
C125122	125-12-2	Isobornyl acetate	DTXSID7042061	0	0	0	5.443037975	1.176470588	61.97317738	0.244538062	20.10454041	3.361581878	8.257419924	31.47522394
C125225287	125225-28-7	Ipconazole	DTXSID7034674	0	69.69793617	0	74.92677211	90.43062201	7.917218694	0.399592131	9.197164208	2.41300935	116.6899592	110.563655
C125401925	125401-92-5	Bispyribac-sodium	DTXSID7034383	0	0	0	1.520467836	0.997375328	6.69810676	0.773009344	36.37577916	3.380091468	13.04791223	29.01585991
C125848	125-84-8	Aminoglutethimide	DTXSID8022589	0	0	0	2.739726027	4.419563936	10.19792016	0.246987893	9.309005212	1.820200032	18.50954688	14.03012851
C126001	126-00-1	Diphenolic acid	DTXSID0022436	0	0	0	1.265822785	1.92513369	5.212697163	0.254982922	14.40544896	3.208951908	9.428905489	21.50710178
C1260179	1260-17-9	Carminic acid	DTXSID9022817	0	0	0	4.367053621	12.51461988	8.445586346	0.295222532	14.72471191	0.93140334	12.56690921	45.8196964
C126067	126-06-7	"3-Bromo-1-chloro-5,5-dimethylhydantoin"	DTXSID7029162	0	0	0	4.716981132	3.562945368	2.734189253	0.04355358	16.46446779	3.280129905	15.18085654	15.91787596
C126114	126-11-4	"2-(Hydroxymethyl)-2-nitro-1,3-propanediol"	DTXSID8027034	10.84166667	0	0	4.018109791	3.731343284	46.15902965	0.427582753	28.09126934	5.083511342	13.71356969	10.91303147
C126147	126-14-7	Sucrose octaacetate	DTXSID3042423	0	0	0	12.75167785	4.597701149	11.50481431	0.137842693	14.01321837	3.373905712	13.45519144	12.28072565
C126307	126-30-7	"2,2-Dimethylpropane-1,3-diol"	DTXSID8027036	0	0	0	5.108556833	2.23880597	14.98822914	0.331655835	80.27217442	3.756784609	10.08999654	26.61715056
C126727	126-72-7	"Tris(2,3-dibromopropyl) phosphate"	DTXSID5021413	76.56380317	36.35935212	4.322222222	7.702702703	42.0738975	2.943713204	0.46428204	25.57929191	12.42566242	102.2712828	106.2153695
C126738	126-73-8	Tributyl phosphate	DTXSID3021986	0	0	0	8.496732026	15.83126551	18.90567579	0.495190843	75.06004804	1.065983918	31.13717563	26.86909446
C126833178	126833-17-8	Fenhexamid	DTXSID3032549	61.64639553	0	33.29847625	9.956709957	16.35282458	7.69530489	0.200940097	13.01797647	5.092983969	91.1286984	88.6452968
C126863	126-86-3	"2,4,7,9-Tetramethyl-5-decyne-4,7-diol"	DTXSID7027041	0	0	0	8.71459695	5.607940447	20.29399755	0.324690997	13.7374677	2.777984109	61.37105106	30.60931567
C126921	126-92-1	Sodium ethasulfate	DTXSID1026033	0	0	0	3.096903097	3.2	96.33798943	0.183496629	7.394114477	2.610381728	118.1034483	18.15458244
C126987	126-98-7	Methacrylonitrile	DTXSID1024176	0	0	0	3.270223752	2.286401925	6.028467764	0.29191757	83.85819348	86.05830356	14.20644452	18.67233563
C127071	127-07-1	Hydroxyurea	DTXSID6025438	0	0	0	3.680663556	0.917431193	14.24759872	0.548813497	9.754667681	3.957533723	125.8126195	12.35965193
C127195	127-19-5	"N,N-Dimethylacetamide"	DTXSID5020499	0	0	0	2.893436838	1.877649909	22.42424242	0.608809243	7.156915369	5.096253574	22.61812548	14.08687193
C127253	127-25-3	Methyl abietate	DTXSID9048190	0	0	0	51.98329854	71.15151515	7.827476038	0.472499083	5.662713339	2.559304829	26.44101877	108.7943068
C127308821	127308-82-1	Zamifenacin	DTXSID9047257	0	8.864294835	0	13.68983957	98.32460733	1.720410237	0.263034406	54.57522958	2.328870847	72.23983358	31.70799976
C127399	127-39-9	"Sodium 1,4-diisobutyl sulfosuccinate"	DTXSID7029164	0	0	0	1.666666667	1.084598698	10.91806515	0.368144908	11.08629279	2.928727852	13.67049361	13.40318691
C127413	127-41-3	alpha-Ionone	DTXSID0035160	0	0	0	3.961748634	2.676399027	4.963384866	0.358458849	5.518485836	2.694268508	10.33945471	15.86952853
C127479	127-47-9	Retinol acetate	DTXSID6021240	0	0	0	54.08805031	57.83847981	8.21445554	0.202501667	20.09517642	4.647737623	111.408998	29.42189643
C127515	127-51-5	alpha-Isomethylionone	DTXSID7027047	0	0	0	16.85520362	6.057268722	-1.197183099	0.574920499	65.89662282	1.378204402	12.11303708	27.06439995
C128041	128-04-1	Sodium dimethyldithiocarbamate	DTXSID6027050	0	0	0	8.647214854	9.215017065	3.117966807	0.048121207	38.78712617	1.144031465	118.9660374	106.2537238
C128370	128-37-0	Butylated hydroxytoluene	DTXSID2020216	0	0	0	96.34225996	53.03113053	3.770086527	0.869471789	12.17306256	2.271219682	172.3913043	26.12559141
C128392	128-39-2	"2,6-Di-tert-butylphenol"	DTXSID6027052	22.31935634	0	0	13.93034826	25.2173913	4.079681275	0.044790643	9.244655224	2.780320001	13.0537631	27.18393859
C128639021	128639-02-1	Carfentrazone-ethyl	DTXSID4032532	0	0	0	14.46257738	20.08879023	3.073692732	0.194490547	8.96140556	1.975369132	49.59467284	32.928829
C128950	128-95-0	"1,4-Diaminoanthraquinone"	DTXSID2041252	0	22.91847314	0	19.03553299	25.07204611	46.26834815	0.093052494	26.59974906	4.786304697	36.9773951	30.53763421
C129000	129-00-0	Pyrene	DTXSID3024289	0	0	0	11.80851064	6.332453826	3.708971554	0.1271882	71.60846584	3.553126909	197.173913	79.19046704
C129066	129-06-6	Sodium warfarin	DTXSID7035010	0	13.57108025	0	2.142857143	1.735357918	5.908193485	0.686654292	59.19567636	2.884217853	15.27582395	8.204007147
C129179	129-17-9	Sulfan blue	DTXSID3026065	0	33.30601419	0	6.068601583	4.004576659	2.560446561	0.577073283	15.30821893	2.030786087	24.13216399	94.92148879
C129298915	129298-91-5	TNP-470	DTXSID0041141	0	0	0	59.71428571	76.70488835	1.90325875	0.289085307	40.93650299	5.69395339	26.27853778	38.95135007
C129299907	129299-90-7	Fabesetron hydrochloride	DTXSID7048168	0	0	0	108.3213773	74.4424352	13.52036643	0.172160925	19.75499243	1.873682535	93.70938585	106.5795235
C129453618	129453-61-8	Fulvestrant	DTXSID4022369	20.71315372	73.6392587	5.517241379	3.297997644	3.145951521	14.70206607	0.177533805	6.405203013	1.555030116	72.64736152	81.34930234
C129630199	129630-19-9	Pyraflufen-ethyl	DTXSID8034871	0	0	0	7.163323782	3.678551217	5.000641108	0.559189706	7.381751156	3.441350273	9.861673545	7.055620762
C1300727	1300-72-7	Sodium xylenesulfonate	DTXSID3026302	0	0	0	4.207492795	2.147239264	2.37267413	0.370027127	162.9767531	4.102697701	93.46793349	24.29812187
C1300738	1300-73-8	Dimethylaniline	DTXSID8027377	0	6.057076048	0	5.587668593	0.477326969	2.195827927	0.036364246	18.3030938	3.41301376	14.7354541	20.11245701
C130143	130-14-3	Sodium 1-naphthalenesulfonate	DTXSID3042394	0	0	0	1.455604076	1.495726496	12.99841354	0.348603724	8.792523092	3.266708332	13.49011832	10.35455235
C1303113	1303-11-3	Indium arsenide	DTXSID5023825	0	0	0	2.014218009	1.441812564	25.79921481	0.422752464	23.12839816	4.835977199	12.19440047	20.11740438
C13071799	13071-79-9	Terbufos	DTXSID2022254	0	0	0	5.013927577	4.179663132	105.0959041	0.279212762	19.29625426	2.699879455	15.29826692	28.13258756
C131113	131-11-3	Dimethyl phthalate	DTXSID3022455	16.48111471	0	19.69131615	2.939412118	2.148227712	4.243958826	0.127606869	108.1967213	3.633305424	78.87049659	22.1027833
C131179	131-17-9	Diallyl phthalate	DTXSID7020392	0	67.3948653	0	7.484524479	12.8745838	1.606415543	0.161691358	38.38404191	1.449817482	11.6364725	72.22258924
C131180	131-18-0	Dipentyl phthalate	DTXSID5031131	0	0	0	25.15759312	18.1663837	7.539428132	0.22400533	6.784130981	4.270780968	25.55327922	15.65366348
C131341861	131341-86-1	Fludioxonil	DTXSID2032398	18.14204596	0	21.36409228	15.59251559	17.01720841	4.010854817	0.022672917	19.62083265	3.896902062	102.6202673	103.0350678
C131555	131-55-5	"2,2',4,4'-Tetrahydroxybenzophenone"	DTXSID5041306	95.25305987	98.1050172	90.85194017	30.11716058	33.53151011	90.71581097	0.325168816	25.48861576	22.29871939	99.90645584	68.10772614
C131566	131-56-6	"2,4-Dihydroxybenzophenone"	DTXSID8022406	51.16516762	73.31490985	2.461337399	19.92385787	25.76368876	3.199297085	0.388235674	14.83329897	2.430451066	60.83604598	76.67681693
C131577	131-57-7	2-Hydroxy-4-methoxybenzophenone	DTXSID3022405	0	0	0	4.795204795	2.971428571	3.3457103	0.300698952	143.6515292	2.422014759	136.4608076	75.01499362
C131704	131-70-4	Monobutyl phthalate	DTXSID4040002	1.791960372	0	33.12178906	2.448453608	2.893890675	6.71450858	0.163910872	41.08428707	3.346389374	13.55156518	16.6700084
C13171001	13171-00-1	"1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone"	DTXSID9044536	0	0	0	48.85379521	88.08104887	4.708676377	0.363139527	22.9153615	1.929681384	13.17651001	22.96038935
C131807573	131807-57-3	Famoxadone	DTXSID8034588	0	0	0	17.08609272	27.08559047	1.842661294	0.570305738	18.38554918	0.954856539	119.4938784	116.0829786
C131860338	131860-33-8	Azoxystrobin	DTXSID0032520	6.830540964	0	13.80985427	11.40250855	31.64179104	-1.978649249	0.480556379	82.18830772	3.481555499	839.6456257	120.2146696
C13194484	13194-48-4	Ethoprop	DTXSID4032611	12.35496602	0	16.0147108	3.109452736	7.173913043	5.896414343	0.1993237	30.93972991	87.31026324	136.3043478	97.77732477
C131983727	131983-72-7	Triticonazole	DTXSID0032655	76.31928933	89.21877331	0	58.87191539	55.89798087	8.46815076	-0.063228279	92.48410396	44.03417188	107.641196	84.14136566
C1320076	1320-07-6	"C.I. Acid Orange 24, monosodium salt"	DTXSID7041708	0	49.62094174	77.5197399	7.662835249	2.736318408	31.88595344	0.006814483	25.82368655	4.646175668	9.071416105	14.3484452
C1321740	1321-74-0	Divinylbenzene	DTXSID2025216	0	0	0	50.54794521	19.00269542	3.45066309	0.197501246	374.1037014	3.334174471	12.26333908	12.62758562
C1323199	1323-19-9	Sodium triisopropyl naphthalene sulfonate	DTXSID4044537	0	0	92.1230635	2.687801516	2.967898243	7.364685004	0.53108926	56.64656523	2.841597829	10.25222705	22.54916209
C1323382	1323-38-2	Glyceryl monoricinoleate	DTXSID3042007	0	9.111119298	0	6.704304869	2.604482132	7.196969697	0.122446805	24.22192152	3.815084317	24.56156117	7.716875917
C13254347	13254-34-7	"2,6-Dimethyl-2-heptanol"	DTXSID6041424	0	7.807624871	0	1.785714286	1.735357918	4.269496545	0.643626521	19.63852207	3.98407627	46.48023144	29.15267185
C132649	132-64-9	Dibenzofuran	DTXSID2021993	0	0	0	4.373522459	1.387406617	22.25427113	0.264852668	32.10418097	2.348233053	61.33374594	15.19675299
C132650	132-65-0	Dibenzothiophene	DTXSID0047741	0	0	0	9.672929715	9.204758923	10.69149102	0.182626322	16.41861597	4.142986191	70.78877005	50.04969511
C13292461	13292-46-1	Rifampicin	DTXSID6021244	0	0	0	11.97368421	13.69863014	3.173294869	0.15213478	17.31521648	1.342050714	100.4793674	9.508161931
C13301616	13301-61-6	C.I. Disperse Orange 37	DTXSID9044538	0	81.95188339	68.06391368	15.66424323	29.78235968	8.607945796	0.292450894	13.40058442	6.362055822	42.28316473	70.17739096
C133062	133-06-2	Captan	DTXSID9020243	7.557104458	0	28.10512929	78.30136986	69.09430439	11.16128122	0.325040707	21.80674658	2.482259078	111.8401471	117.7901507
C133073	133-07-3	Folpet	DTXSID0021385	3.941476826	0	21.9749029	69.09962706	80.66350711	14.27856547	0.18243057	10.51825807	2.089606831	118.3475601	110.3216087
C1330785	1330-78-5	Tricresyl phosphate	DTXSID4021391	0	0	0	6.768687463	24.05518896	1.310857824	0.235433088	12.17090898	1.931256249	31.2399891	111.4130565
C1330865	1330-86-5	Diisooctyl adipate	DTXSID7027388	0	6.9421268	0	4.144527099	2.339181287	27.46437918	0.27469211	18.88204305	9.929383789	17.67804026	12.19045586
C13311847	13311-84-7	Flutamide	DTXSID7032004	85.08144947	91.18011199	24.30382819	33.90452876	48.93617021	2.637607173	0.38163923	13.01907969	1.386827947	110.2064094	111.7291336
C1333397	1333-39-7	Phenolsulfonic acid	DTXSID1027390	0	0	0	3.098220171	4.437299035	7.128741858	0.254439883	63.61833464	1.788475548	15.33529823	16.27107165
C1335462	1335-46-2	Methylionone	DTXSID0029214	0	0	0	4.303797468	4.592422503	2.907711757	0.336011557	17.84834157	2.277148533	40.26719603	79.83872414
C1338438	1338-43-8	"Sorbitan, mono-(9Z)-9-octadecenoate"	DTXSID6027397	0	0	52.87872353	2.923976608	3.387978142	2.244549938	0.430780236	13.42289301	5.759549467	82.03158358	19.15220015
C133855988	133855-98-8	Epoxiconazole	DTXSID1040372	0	19.20729188	0	19.15407855	30.00567215	8.122708856	0.481745328	21.25501796	3.42886737	56.77248727	101.5164709
C133904	133-90-4	Chloramben	DTXSID2020262	0	0	0	5.405405405	3.506907545	3.601498788	0.118882506	22.05581066	4.721314045	11.38523885	13.53203254
C134002601	134002-60-1	CP-085958	DTXSID5047297	0	46.12255394	0	29.01376147	36.29873696	8.117350612	0.765534746	21.46811071	2.800688285	11.9622771	24.6395247
C134032	134-03-2	Sodium L-ascorbate	DTXSID0020105	0	0	20.36286771	6.783369803	4.038577456	2.786432832	0.164700161	16.7602421	2.598160729	14.4457096	35.57744644
C134203	134-20-3	Methyl 2-aminobenzoate	DTXSID6025567	0	0	0	3.369621566	1.22324159	7.346140164	0.23541041	22.7574103	3.367417109	9.365911673	24.36456484
C134316	134-31-6	8-Hydroxyquinoline sulfate	DTXSID6025436	0	0	0	2.025316456	7.593582888	1.428290269	0.339568254	19.40276031	2.394624182	125.5700226	105.1988327
C134523038	134523-03-8	Atorvastatin calcium	DTXSID6044303	0	38.60718166	0	11.328125	29.28490352	4.433909649	0.360010887	8.348208455	5.946949543	103.137221	4.790946063
C134605644	134605-64-4	Butafenacil	DTXSID9034365	0	0	0	9.205260149	13.37016575	5.797363193	0.322502759	11.80423833	2.889879456	51.99027645	39.03499405
C134623	134-62-3	DEET	DTXSID2021995	0	0	0	3.325688073	5.656232839	10.13318934	0.258034404	12.54403808	2.793577052	17.28008938	17.31914223
C13463417	13463-41-7	Zinc pyrithione	DTXSID7026314	0	0	79.66101695	91.66666667	69.69353008	77.95622175	0.119167912	69.25913087	1.622452421	143.7897966	106.3486074
C135080034	135080-03-4	CP-100829	DTXSID7047304	0	0	75.36308891	2.532357907	11.65371809	4.100786764	0.263034406	23.40879966	8.730103306	104.0979032	29.90606517
C135158542	135158-54-2	Acibenzolar-S-methyl	DTXSID1032519	40.00950468	86.94166191	0	31.06960951	28.57142857	46.49595687	0.187595971	11.38211382	1.944643405	32.72487716	72.54013931
C135193	135-19-3	2-Naphthalenol	DTXSID5027061	0	0	0	4.180491042	2.109704641	222.8447571	0.228565915	15.55052158	4.926343884	108.7657031	48.88123563
C135206	135-20-6	Cupferron	DTXSID1020352	0	16.02773732	0	6.466361855	37.30202075	4.21302019	0.52127681	15.80928772	3.480671223	16.31360059	38.23537406
C135410207	135410-20-7	Acetamiprid	DTXSID0034300	0	0	0	6.809229038	3.440621532	3.726378102	0.182336346	16.04398164	3.412541382	13.60599336	10.4421128
C136042198	136042-19-8	FR130739	DTXSID1048178	0	0	30.99357831	2.885292048	2.757793765	79.56385106	0.125376591	11.77920364	2.476584466	19.80459684	16.42908237
C136458	136-45-8	"Dipropyl 2,5-pyridinedicarboxylate"	DTXSID8032544	0	0	0	6.90989497	4.678362573	5.259680675	0.245617353	12.57689083	2.954704888	16.69069497	9.96535815
C136607	136-60-7	Butyl benzoate	DTXSID8040694	0	0	0	7.302709069	6.52173913	3.643480879	0.201679918	168.9387073	3.499924908	14.33285729	19.15515302
C13674845	13674-84-5	Tris(2-chloroisopropyl)phosphate	DTXSID5026259	0	0	0	1.013513514	0.673400673	1.06655003	0.150893575	11.53480914	2.331316622	29.70052846	19.69276581
C13674878	13674-87-8	TDCPP	DTXSID9026261	79.72480106	55.68791775	0	9.621765096	49.57627119	9.583284697	0.406592431	10.42464394	1.89496557	83.30811383	99.92393625
C136776	136-77-6	4-Hexylresorcinol	DTXSID1020699	54.35585488	5.929368114	0	56.55780197	44.44444444	10.19210245	0.317023718	30.26565982	3.616575594	76.55398035	75.52401973
C13680358	13680-35-8	"4,4'-Methylenebis(2,6-diethylaniline)"	DTXSID4048191	0	0	0	21.17117117	54.4332211	30.5733127	0.210873068	24.77342	2.33626842	128.0706317	81.49562665
C13684565	13684-56-5	Desmedipham	DTXSID0034518	0	8.05411186	0	3.183023873	2.135231317	37.06113693	0.915707008	16.50374868	6.875458414	17.54199708	14.8395786
C13684634	13684-63-4	Phenmedipham	DTXSID1024255	0	0	0	3.409881698	1.565435191	42.09657835	0.220659454	12.34759048	9.89779079	13.78805102	18.9332248
C137268	137-26-8	Thiram	DTXSID5021332	0	0	0	26.06351108	40.25400331	39.74720825	0.308647238	80.57720379	2.293880713	127.801479	113.2429607
C137304	137-30-4	Ziram	DTXSID0021464	0	0	57.99308378	66.73796791	58.65979381	4.135804657	0.300379962	90.2027027	2.404114163	133.5259115	115.6017789
C137428	137-42-8	Metam-sodium	DTXSID2029167	0	0	0	6.724782067	17.26576311	128.4636028	0.150562271	22.72638268	3.043308286	13.86628146	17.99994783
C13755298	13755-29-8	Sodium tetrafluoroborate	DTXSID9021477	0	0	0	3.22180917	1.724137931	3.911081397	0.351317193	14.29324402	3.053822244	20.09307704	16.31889843
C137666	137-66-6	Ascorbyl palmitate	DTXSID3041611	0	11.7906476	0	8.575803982	2.618453865	5.440733981	0.109215367	9.492232088	2.877765064	9.971746718	21.87456657
C138227	138-22-7	Butyl lactate	DTXSID7042196	0	0	0	2.019128587	3.274853801	13.94300669	0.273059652	18.35751736	2.979720726	13.35545851	13.68290012
C138261413	138261-41-3	Imidacloprid	DTXSID5032442	4.705373299	0	20.09837178	7.989690722	2.250803859	7.588143526	0.216113358	12.74104922	4.372064549	23.60681115	18.23054238
C13826352	13826-35-2	3-Phenoxybenzenemethanol	DTXSID7027756	0	35.23007689	0	3.142076503	3.04136253	9.638286856	0.363775446	46.79586124	2.195545572	30.77208612	66.08684439
C138472012	138472-01-2	FR900409	DTXSID2048167	0	0	0	4.90797546	3.427895981	2.056672761	0.30259647	10.44463549	5.561030096	21.70088224	17.99228799
C138863	138-86-3	Limonene	DTXSID2029612	0	0	0	2.278481013	2.296211251	3.146509341	0.202330482	22.32236605	1.815154939	55.93824228	11.99396526
C139026	139-02-6	Sodium phenolate	DTXSID4027072	0	0	0	1.428571429	2.060737527	1.816386969	0.225084782	111.6030534	2.413103146	7.8081775	17.93447165
C139139	139-13-9	Nitrilotriacetic acid	DTXSID6020939	33.46094946	0	0	8.025477707	3.965702036	4.569771189	0.492335361	20.10471507	3.113059894	12.87041444	50.37762665
C139149556	139149-55-6	SB202235	DTXSID1047318	0	0	0	12.70661157	2.188295165	6.950934579	0.137503524	19.53552854	15.72826084	80.20502569	15.31161854
C139290656	139290-65-6	Volinanserin	DTXSID6047363	0	0	0	7.489994282	6.519337017	8.470290771	0.458175693	16.48991008	5.572591808	10.63923586	24.66175921
C139340560	139340-56-0	Darbufelone mesylate	DTXSID0047246	0	31.21217201	0	96.28400796	84.00423729	2.626356951	0.378511623	23.88311288	19.85772024	112.0506479	112.3639397
C139402	139-40-2	Propazine	DTXSID3021196	0	0	0	4.80349345	1.204819277	8.045602606	0.321233322	6.23042683	4.555957227	9.421840316	17.54060609
C139877	139-87-7	Ethyl diethanolamine	DTXSID8041955	0	0	0	3.269754768	2.4	5.869657017	0.327285806	20.28757168	2.043286223	16.25555302	13.04311103
C139888	139-88-8	"7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt"	DTXSID3041530	0	0	62.1504444	2.709847984	1.832760596	5.95934709	-0.033750423	8.045106405	3.938155894	7.808370039	10.73396875
C139968	139-96-8	Dodecyl sulfate triethanolamine	DTXSID4027076	0	0	96.93051202	3.40063762	2.456140351	173.5824368	0.097551072	20.90672627	1.803471592	13.27752788	7.780810051
C140089	140-08-9	Tris(2-chloroethyl) phosphite	DTXSID0026258	0	0	0	0.78125	2.497162316	2.325711099	0.21521793	20.04094259	10.22461872	8.800789951	15.12038154
C140103	140-10-3	E-Cinnamic acid	DTXSID5022489	0	0	0	1.52866242	3.225806452	3.801688316	0.084377928	14.8302437	4.182613056	34.16757345	19.00304344
C140114	140-11-4	Benzyl acetate	DTXSID0020151	0	0	0	4.943968359	1.814058957	5.715066995	0.213385313	13.89074745	2.784552792	35.34006534	14.11094014
C1401554	1401-55-4	Tannic acid	DTXSID2026076	0	95.40585665	81.9210841	6.847764573	5.117270789	6.401617251	0.412036113	99.13021842	52.78417972	68.99077231	42.22714234
C140318	140-31-8	1-(2-Aminoethyl)piperazine	DTXSID2021997	0	0	0	1.942319011	3.899220156	2.548676649	0.483355767	27.8255346	2.725008754	10.3111777	18.41613749
C140385	140-38-5	4-Chlorophenylurea	DTXSID5041512	0	0	0	1.516150297	1.360544218	117.9928903	0.180378035	7.895857901	2.378632023	12.95615472	19.0379181
C140567	140-56-7	Fenaminosulf	DTXSID6040371	0	0	0	11.88118812	3.289094057	11.6828106	0.362661624	79.59119941	149.6230504	164.7840532	116.4498903
C140647	140-64-7	Pentamidine isethionate	DTXSID5023796	15.17521902	4.553704787	0	12.0431396	9.33186085	6.638851393	1.003156569	19.05092269	2.960774336	80.22525957	95.27713871
C140669	140-66-9	"4-(1,1,3,3-Tetramethylbutyl)phenol"	DTXSID9022360	50.86663457	0	34.6223565	79.96565541	91.47335423	4.497980783	0.252326372	37.93511353	3.05927532	438.8998035	114.373315
C140670	140-67-0	Estragole	DTXSID0020575	0	0	0	2.247912653	3.221957041	2.784709053	0.256993089	37.48589816	1.839476995	5.746978608	17.43661407
C140954	140-95-4	Dimethylolurea	DTXSID6025141	0	0	0	1.203113942	1.442841287	4.661654135	0.111676927	16.83198736	9.111047452	13.7276423	17.95095084
C141048	141-04-8	Diisobutyl adipate	DTXSID9036690	0	0	0	2.216896345	2.043070127	4.209105412	0.261657788	17.22001032	3.214052971	9.354469394	101.1110717
C141112290	141112-29-0	Isoxaflutole	DTXSID5034723	0	0	0	4.212348529	1.337613697	6.169703128	0.40670422	10.59262877	3.244636096	13.05842027	25.74275825
C141220	141-22-0	"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid"	DTXSID0041567	0	0	36.8852459	2.806122449	3.522012579	1.463765599	0.369846259	17.08370263	2.966636434	18.60105255	17.99777175
C141322	141-32-2	Butyl acrylate	DTXSID6024676	0	0	0	1.998001998	4	3.377143868	0.269577252	106.1384274	92.66756842	8.336523626	28.26977229
C141435	141-43-5	Ethanolamine	DTXSID6022000	0	0	0	4.976303318	2.677651905	46.4946719	0.240849326	46.64276415	47.28453241	145.2478163	23.1364375
C141517217	141517-21-7	Trifloxystrobin	DTXSID4032580	0	0	0	8.407643312	6.373008435	-1.826542343	0.458014572	16.26955475	2.384017879	108.8528541	116.978769
C141662	141-66-2	Dicrotophos	DTXSID9023914	0	0	0	2.690829215	5.051546392	3.628502248	0.250043567	24.6720679	2.545862077	10.0587704	16.94052567
C141797	141-79-7	4-Methylpent-3-en-2-one	DTXSID1029170	0	0	0	20.44609665	3.128760529	2.817620573	0.191053773	60.75901328	4.277901586	11.83773517	17.83998835
C142041	142-04-1	Aniline hydrochloride	DTXSID3020091	0	0	0	4.22125182	3.489059728	5.451042611	0.453848652	37.15544817	2.449447512	14.94155163	17.36424463
C142165	142-16-5	Bis(2-ethylhexyl) maleate	DTXSID2027094	0	0	0	66.98113208	92.99287411	5.860675226	0.312393607	12.72295947	54.85135308	31.72519891	24.94048858
C142187	142-18-7	1-Monolaurin	DTXSID5041275	0	0	0	3.729202524	3.85078219	31.59363662	0.241507757	13.2771577	2.002300904	24.45972956	20.79422879
C142314	142-31-4	Sodium octyl sulfate	DTXSID9036226	0	0	0	8.256880734	1.948842875	1.780442524	0.215190237	47.09913202	2.460050234	11.65940305	14.83611933
C14233375	14233-37-5	"1,4-Bis(N-isopropylamino)anthraquinone"	DTXSID2041250	0	0	0	18.48958333	29.85244041	2.571109872	0.273323665	11.21636335	2.294026816	11.98905828	49.15865255
C142459583	142459-58-3	Flufenacet	DTXSID2032552	0	0	0	5.170387779	11.15834219	23.27088384	0.131405103	9.951142806	2.806485177	75.15423848	45.02552571
C142621	142-62-1	Hexanoic acid	DTXSID7021607	0	0	0	6.625386997	1.792114695	6.744098913	0.31766373	20.81665332	2.898300237	128.0603689	18.61591956
C142870	142-87-0	Sodium decyl sulfate	DTXSID4036229	0	0	0	3.378378378	1.571268238	1.65870399	0.273029416	16.01790254	2.843939534	16.82574311	11.45275645
C143077	143-07-7	Dodecanoic acid	DTXSID5021590	0	0	0	1.389728097	3.233125355	9.974918001	0.206471459	22.41586925	3.093551998	42.26855497	16.48247045
C143088	143-08-8	1-Nonanol	DTXSID6022008	0	0	0	7.545045045	1.459034792	8.249781307	0.126954079	10.83270546	2.137826545	10.458065	22.27652507
C143226	143-22-6	2-[2-(2-Butoxyethoxy)ethoxy]ethanol	DTXSID7021520	0	0	0	3.409726104	1.479654747	8.75508435	0.222343709	6.314970259	2.586699414	13.63438557	11.29165708
C143390890	143390-89-0	Kresoxim-methyl	DTXSID2032558	0	0	0	11.4321608	12.47901511	8.933092224	0.341298299	5.327702726	1.734076828	100.2779162	113.2522755
C1434544	1434-54-4	Pregnenolone carbonitrile	DTXSID7037262	0	0	0	6.70846395	2.548166563	62.88175124	0.123785546	41.95715608	3.534552594	25.89484988	64.06188912
C143500	143-50-0	Kepone	DTXSID1020770	0	9.106201149	88.29511466	101.1291461	85.94791036	7.310606061	0.39956775	75.71085319	7.063727555	84.05203476	112.8821396
C14351667	14351-66-7	Sodium abietate	DTXSID8042399	0	0	0	8.730650155	14.4028103	13.95726265	0.263405326	7.862658903	8.135338641	58.61773592	12.85816362
C14371109	14371-10-9	(2E)-3-Phenylprop-2-enal	DTXSID6024834	0	0	0	2.89017341	2.863961814	1.517117477	0.112175243	22.37315222	5.862259216	75.27308838	17.36849602
C143748	143-74-8	Phenol red	DTXSID8022408	0	0	0	2.709847984	1.832760596	5.097012627	0.109655713	150.1184065	1.939897767	31.72205438	26.14544006
C144490	144-49-0	Fluoroacetic acid	DTXSID0041981	0	0	0	3.243243243	3.098927294	5.508681141	0.410203161	10.14250589	2.708146236	14.96690989	16.79233255
C144550367	144550-36-7	Iodosulfuron-methyl-sodium	DTXSID2034673	0	0	0	2.58519389	6.269925611	6.669605466	0.286728022	8.075717152	2.639224726	14.86544212	8.064610261
C1445756	1445-75-6	Diisopropyl methylphosphonate	DTXSID5024051	0	0	0	4.74160895	2.559241706	6.105087573	0.103810685	12.84358292	2.736507651	19.19609752	17.24826162
C144627	144-62-7	Oxalic acid	DTXSID0025816	0	0	0	6.84544813	1.635372502	11.85606061	0.265767646	24.48366504	1.475350517	12.85824942	9.415933629
C145701219	145701-21-9	Diclosulam	DTXSID4034528	0	0	0	3.06345733	2.833031947	10.13976676	0.462750017	21.61251504	2.394896437	16.09049649	26.46647461
C145733	145-73-3	Endothal	DTXSID7024081	0	0	0	70.4974271	94.14364641	8.398049485	0.531907784	42.65325861	2.345624925	83.93203883	17.37021405
C145742285	145742-28-5	CP-122721	DTXSID9047251	27.25391664	0	0	87.17795087	73.82661513	123.3157443	0.263034406	5.663107633	4.469203655	107.346334	116.8650483
C1459934	1459-93-4	Dimethyl isophthalate	DTXSID8027402	0	0	0	0.97799511	1.995012469	104.3219183	0.26742952	13.99924328	2.675909029	14.97554288	13.16351048
C146011656	146011-65-6	FR145237	DTXSID6048171	0	0	0	4.304160689	8.257986739	1.644037298	0.118619177	22.5874145	1.591220027	15.91135784	69.62417625
C1461229	1461-22-9	Tributyltin chloride	DTXSID3027403	1.892991239	72.09977274	56.06217617	51.89620758	65.68170036	-1.565185922	1.165504086	242.4174174	3.182321269	91.37017657	115.652347
C1461252	1461-25-2	Tetrabutyltin	DTXSID4022153	0	0	0	105.890411	82.53223916	1.262894417	0.618886582	10.01976542	1.665653147	93.99869851	111.1598104
C147240	147-24-0	Diphenhydramine hydrochloride	DTXSID4020537	0	0	0	10.50539466	2.226720648	18.82876205	0.238327893	17.8713271	3.626535081	5.976245811	17.79451729
C14765301	14765-30-1	2-sec-Butylcyclohexanone	DTXSID4041818	0	0	0	1.639344262	2.068126521	1.849249205	0.350064408	22.64780941	2.693230979	8.669374962	10.68775933
C1477550	1477-55-0	"1,3-Benzenedimethanamine"	DTXSID9029649	0	0	0	1.764705882	2.895871842	8.585975469	0.166047519	16.28545288	2.71420427	35.83311328	16.32799744
C147819	147-81-9	Arabinose	DTXSID8041610	0	0	0	3.448275862	5.931198102	96.39613872	0.188034461	23.32459492	4.152709568	13.65378359	11.01770607
C1478611	1478-61-1	Bisphenol AF	DTXSID7037717	93.62934363	43.21173647	101.6196447	58.12154696	94.4254835	6.302120906	0.078089018	40.15939924	1.870935845	107.3617732	109.1284121
C14816183	14816-18-3	Phoxim	DTXSID8034324	0	0	0	5.819295559	5.860349127	3.502195038	0.106915204	43.30583322	1.828125409	56.66991237	21.07137158
C148243	148-24-3	8-Hydroxyquinoline	DTXSID5020730	0	0	0	5.756207675	12.87128713	-0.104188373	0.380304121	23.19871318	7.666312651	126.0478664	110.8533468
C148477718	148477-71-8	Spirodiclofen	DTXSID6034928	0	0	0	33.09692671	55.17609392	16.39671622	0.195700354	22.68428086	6.107392265	23.59963789	19.45839012
C148798	148-79-8	Thiabendazole	DTXSID0021337	0	0	0	3.833145434	3.985932005	41.67068176	0.077951721	18.45458617	13.60744923	69.9318753	16.30130029
C1490046	1490-04-6	Menthol	DTXSID8029650	0	0	0	1.949541284	1.971230687	10.5474732	0.119343032	20.69819392	90.70756254	12.48797645	19.57875765
C14901076	14901-07-6	"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one"	DTXSID9025451	0	0	0	5.732484076	2.330743618	7.112781955	0.019099093	62.37057796	3.894939687	6.671186364	6.283992707
C149062759	149062-75-9	PharmaGSID_47259	DTXSID9047259	57.38846895	0	0	18.92778993	13.08016878	19.39820173	0	15.00875929	6.786789008	11.17696793	17.39329602
C149304	149-30-4	2-Mercaptobenzothiazole	DTXSID1020807	0	15.6587283	0	7.272727273	5.5907173	9.824954898	0.208475307	7.175718557	21.70963965	174.5293466	30.29223145
C149413741	149413-74-1	FR150011	DTXSID1048170	12.46554364	0	45.4067071	36.8869936	44.64176363	-1.163659656	0.130490845	251.9168291	5.093919433	89.41281369	54.92682403
C149575	149-57-5	2-Ethylhexanoic acid	DTXSID9025293	16.91409508	0	0	5.664488017	2.928039702	16.12903226	0.7416159	200.1341382	53.07716023	18.21553306	14.02398371
C149877418	149877-41-8	Bifenazate	DTXSID5032525	0	0	0	15.47049442	11.36612022	6.756694474	0.139918186	20.90236255	1.705940696	116.9745937	113.9197182
C149979419	149979-41-9	Tepraloxydim	DTXSID7034252	0	0	0	0.945626478	2.454642476	17.9942312	0.394734173	8.556541793	2.535670835	17.32924256	13.69375325
C150130	150-13-0	4-Aminobenzoic acid	DTXSID6024466	0	0	0	3.16027088	4.059405941	5.980412586	0.66328754	12.40736515	3.124922521	150.5984766	19.56064431
C15046750	15046-75-0	Sodium 2-methylbenzenesulfonate	DTXSID2044553	0	0	0	3.740296401	1.635372502	13.90151515	0.519594873	16.70519031	3.21467775	12.85048434	17.48441533
C150685	150-68-5	Monuron	DTXSID0020311	0	0	0	2.031340685	2.73822563	16.45818003	0.076621282	24.90310371	1.745635656	17.17972001	18.99315857
C150765	150-76-5	4-Methoxyphenol	DTXSID4020828	0	0	0	5.352112676	0.718562874	2.695250301	0.109064867	15.71674692	1.493435486	31.89320388	15.69831374
C150787	150-78-7	Hydroquinone dimethyl ether	DTXSID0022014	0	0	0	2.293577982	1.331912627	12.46171516	0.073168106	6.566730826	3.211957485	9.295497868	18.57652175
C151053	151-05-3	Dimethylbenzylcarbinyl acetate	DTXSID3041877	0	0	0	6.345177665	1.902017291	51.02853008	0.169526585	13.94310256	2.041318523	15.12521481	5.927936402
C151213	151-21-3	Sodium dodecyl sulfate	DTXSID1026031	0	0	92.88927768	7.405434204	3.412322275	3.936613845	0.661966314	19.93153316	1.487869498	9.988712899	18.8763957
C151506444	151506-44-4	FR140423	DTXSID6048175	18.17281015	0	0	5.308464849	1.627486438	3.836087028	0.355921017	10.09806104	1.108120157	38.85282169	30.33453819
C15214898	15214-89-8	2-Acrylamido-2-methyl-1-propanesulfonic acid	DTXSID5027770	0	0	0	1.482004234	2.604482132	4.810606061	0.167551958	16.12473854	2.883390911	15.45411591	11.62196223
C15299997	15299-99-7	Napropamide	DTXSID5024211	76.66400281	72.21716817	0	16.93150685	18.30065359	10.54042613	0.127606869	18.58968488	4.223262436	80.22284123	92.36962509
C15307796	15307-79-6	Diclofenac sodium	DTXSID3037208	0	0	0	18.27089337	12.88343558	8.875558782	0.399200951	14.63331291	4.085259215	97.32814833	19.23095436
C15310017	15310-01-7	Benodanil	DTXSID7041623	0	0	0	4.545454545	2.279484638	6.799142801	0.059130717	13.23706378	5.249421168	66.49018997	39.42432392
C153233911	153233-91-1	Etoxazole	DTXSID8034586	0	0	0	35.7226792	68.8629118	4.950407758	0.403767444	5.463888339	5.686219892	81.42319535	43.89203625
C153719234	153719-23-4	Thiamethoxam	DTXSID2034962	0	0	0	3.680663556	2.54841998	7.488438278	0.141485109	10.96672818	2.688977453	9.693789403	17.24522384
C1541817	1541-81-7	4-Dodecylmorpholine	DTXSID4042171	0	0	0	38.90523838	37.4925015	2.867741749	0.309026876	22.8662111	3.026922019	12.85932802	24.97632293
C154427	154-42-7	6-Thioguanine	DTXSID6023652	0	0	0	13.52874859	31.77022274	8.762948687	0.126429478	8.453978444	3.967712346	527.3836449	17.18167482
C15499271	15499-27-1	4-Butylchlorobenzene	DTXSID9048192	0	0	0	1.199040767	1.68612192	8.439798684	0.225441729	7.924115528	1.560732752	13.7158367	9.092141142
C155569918	155569-91-8	Emamectin benzoate	DTXSID0034566	0	81.83950825	0	61.61272005	72.06477733	2.631578947	0.061458251	336.4463932	4.842385456	94.549059	115.3546101
C1559348	1559-34-8	"3,6,9,12-Tetraoxahexadecan-1-ol"	DTXSID2027412	0	0	0	4.109589041	2.461899179	3.083282767	0.219026522	11.23701377	1.620397487	14.36364887	13.60702447
C1559359	1559-35-9	2-(2-Ethylhexyloxy)ethanol	DTXSID1041920	0	0	0	3.120759837	3.263403263	1.387733495	0.163357988	20.96418694	6.617626026	11.59537324	16.48743011
C155990208	155990-20-8	SR271425	DTXSID8047347	1.752190238	10.34487405	18.03353858	41.58940397	34.99458288	7.611419586	1.897506006	106.5021691	2.740234724	89.42931801	113.6573679
C156052685	156052-68-5	Zoxamide	DTXSID9032581	0	0	0	76.44287397	92.99065421	0.80420969	0.275484463	64.67172938	3.019151931	88.88952051	122.9468137
C156105	156-10-5	4-Nitrosodiphenylamine	DTXSID1021031	0	22.47874375	0	85.02923977	80.26246719	3.800150366	0.630971221	65.58601168	4.163985442	125.5797583	89.18410139
C15619484	15619-48-4	1-Benzylquinolinium chloride	DTXSID8044593	0	0	0	10.15736767	18.53997683	15.48672566	0.175478738	10.75780046	1.495780491	70.27543759	103.4320941
C1563388	1563-38-8	"2,3-Dihydro-2,2-dimethyl-7-benzofuranol"	DTXSID2027414	0	0	0	3.095238095	2.570694087	110.573474	0.310880939	21.57160831	1.727603421	13.67604156	14.11342035
C1563662	1563-66-2	Carbofuran	DTXSID9020249	0	0	0	6.880733945	5.546403075	9.683225342	0.388565288	8.652605486	3.91487703	12.82927842	13.37217241
C156434	156-43-4	4-Ethoxyaniline	DTXSID0025864	0	0	0	3.409881698	1.06449593	3.698745291	0.154156513	196.6412722	2.85857103	59.54588011	21.0592463
C156605	156-60-5	"(E)-1,2-Dichloroethylene"	DTXSID7024031	0	0	0	3.108108108	5.959475566	4.083698954	0.334026237	16.82923144	3.98982248	24.50651944	13.66533749
C1569013	1569-01-3	1-Propoxy-2-propanol	DTXSID5029217	0	0	0	1.494396015	1.591043017	12.64676283	0.160429921	39.99663133	96.47881775	47.92036142	17.20611988
C1569024	1569-02-4	1-Ethoxy-2-propanol	DTXSID1041267	0	0	0	1.461377871	1.690670006	36.64186307	0.246925375	18.43844764	6.08011738	14.42486796	18.52119038
C1570645	1570-64-5	4-Chloro-2-methylphenol	DTXSID5022510	0	0	0	4.284772577	2.250803859	4.632950304	-0.001853539	23.27772326	2.441506111	13.91616052	15.84840588
C15708415	15708-41-5	Ethylenediaminetetraacetic acid ferric sodium salt	DTXSID5027774	0	28.69091197	0	3.38028169	2.035928144	7.802244747	0.183446141	10.54739653	2.138323808	10.13741247	11.84416881
C158081993	158081-99-3	CP-105696	DTXSID7047308	0	0	0	20.41166381	43.97790055	6.411414123	0.263034406	14.03136922	5.000019523	80.38328923	75.16071112
C1582098	1582-09-8	Trifluralin	DTXSID4021395	13.6956328	0	26.82667799	23.1990232	12.0950324	9.296843558	0.183274555	79.26753569	6.448511923	22.61840761	24.16899105
C159138815	159138-81-5	Cariporide mesylate	DTXSID3047344	0	0	0	5.843439912	4.103671706	3.664808228	0.352764566	9.494355196	3.075053338	21.65458141	19.9302188
C1596845	1596-84-5	Daminozide	DTXSID9020370	0	0	0	8.779931585	2.089552239	2.039024123	0.199917996	37.09449929	3.365903777	14.17879324	25.47093769
C15972608	15972-60-8	Alachlor	DTXSID1022265	0	48.88597485	0	20.83748754	33.98268398	3.198594025	0.234269501	20.10530421	2.315296158	103.6696173	109.1178242
C16079882	16079-88-2	"Bromo-3-chloro-5,5-dimethylhydantoin"	DTXSID3032591	0	0	0	1.971830986	1.676646707	2.400093208	0.088033955	10.7376368	4.783402147	8.592464157	8.450794704
C1610180	1610-18-0	Prometon	DTXSID6022341	0	0	0	1.573033708	6.462585034	36.17080561	0.539932089	13.30254423	2.252675764	18.77062718	16.51779893
C161050584	161050-58-4	Methoxyfenozide	DTXSID3032628	0	0	0	4.86066105	9.893795416	3.178508168	0.500639562	6.792587347	5.135759568	56.4607149	28.89025505
C161326347	161326-34-7	Fenamidone	DTXSID2034590	0	0	0	6.218905473	16.41304348	3.410358566	0.308220162	3.511504054	5.56999106	99.61489854	114.6720377
C16219753	16219-75-3	5-Ethylidene-2-norbornene	DTXSID1025306	0	0	0	2.504816956	3.818615752	2.235752071	0.263369955	14.47852924	1.920552726	11.2042993	15.84250363
C1625918	1625-91-8	"4,4'-Di-tert-butylbiphenyl"	DTXSID4048193	0	0	0	18.80952381	58.09768638	4.27570341	0.10494655	17.91411599	3.66461662	9.141342688	13.11658855
C162706141	162706-14-1	UK-156819	DTXSID2047309	49.13911321	0	0	18.76988335	22.77834525	13.0374701	0	15.85435854	2.664813053	22.64117715	18.74162802
C1632731	1632-73-1	Fenchol	DTXSID1041970	0	0	0	0.917431193	2.184336708	12.80627871	0.402810541	15.3190391	3.951042431	22.08121827	11.41405417
C1634782	1634-78-2	Malaoxon	DTXSID9020790	8.026916311	0	0	8.161911082	6.144067797	33.04540679	0.073354109	17.90991525	2.876639812	11.56698475	9.303411816
C163520330	163520-33-0	Isoxadifen-ethyl	DTXSID7040360	0	0	0	1.990811639	4.114713217	6.999457406	0.172357679	16.54522676	4.901200058	14.58923879	18.67591642
C1638228	1638-22-8	4-Butylphenol	DTXSID3047425	0	22.62685483	0	9.351692484	8.664259928	11.96390362	0.04324023	16.30434783	2.688293321	64.83926335	19.28099825
C16423680	16423-68-0	FD&C Red 3	DTXSID7021233	29.92505353	29.09728501	83.47980998	0.99535501	5.592303067	4.794193072	0.265233637	86.07101053	16.82305982	42.03091657	62.88175949
C1646759	1646-75-9	Aldicarb oxime	DTXSID9024431	14.30748133	0	12.37307038	9.721362229	3.737839222	7.231172724	0.216423464	20.84922665	2.761762483	19.04663014	20.4800415
C1646873	1646-87-3	Aldicarb sulfoxide	DTXSID1033161	0	4.835941979	4.936375603	4.657933042	1.123595506	11.23073436	0.894702443	16.91259932	3.390864274	12.0647576	13.36457195
C1646884	1646-88-4	Aldoxycarb	DTXSID6023862	0	8.714495981	0	2.903718798	3.57568534	75.47498417	0.654134649	14.51667428	3.887268498	9.809685904	17.03669782
C165252700	165252-70-0	Dinotefuran	DTXSID7034549	0	0	0	8.287292818	1.297169811	5.546097244	0.254698547	19.37135565	1.789117529	11.80098289	8.296547942
C16587716	16587-71-6	4-(tert-Pentyl)-cyclohexanone	DTXSID4047127	0	0	0	2.973977695	2.262931034	11.63296005	0.301247842	11.65435754	5.102082426	14.45194183	24.72762625
C166412788	166412-78-8	"Diisononyl cyclohexane-1,2-dicarboxylate"	DTXSID8047395	0	0	0	7.385229541	10.93831001	5.505292681	0.191966535	16.57612764	5.710776286	9.079972788	10.49747843
C16672870	16672-87-0	Ethephon	DTXSID7024085	0	0	0	3.576982893	1.427115189	6.954820349	0.319914965	14.09906396	2.970464869	12.54285608	14.31446858
C1671756	1671-75-6	Heptanophenone	DTXSID9048194	0	0	0	0.906344411	2.325581395	5.730272043	0.290361016	22.7752051	5.149359136	13.10517359	17.25498869
C16752775	16752-77-5	Methomyl	DTXSID1022267	21.05374588	0	27.19611021	4.109589041	1.680672269	8.706081558	0.168966718	12.46239579	6.443483679	9.780284419	88.55791024
C1675543	1675-54-3	Bisphenol A diglycidyl ether	DTXSID6024624	0	8.018461586	0	23.26169406	31.20481928	3.290117661	0.11166761	13.04521809	2.173709198	91.54377475	14.73396767
C16893859	16893-85-9	Sodium hexafluorosilicate	DTXSID9036933	0	0	0	3.06122449	2.626756261	34.46343712	0.157188982	21.54639388	3.909776964	24.07837298	5.501260449
C1689845	1689-84-5	Bromoxynil	DTXSID3022162	0	0	0	5.313432836	6.160616062	9.009303085	0.135090357	61.63242862	85.45382599	107.5450862	114.6122205
C169590425	169590-42-5	Celecoxib	DTXSID0022777	0	0	31.34744889	57.19649562	45.7609268	3.726900832	0.411282109	18.06838638	4.62608393	90.58354688	35.80297525
C1698608	1698-60-8	Chloridazon	DTXSID3034872	0	0	0	8.241758242	3.274853801	10.32822035	0.142740172	10.1954404	3.053786515	17.70963976	26.13912557
C1702176	1702-17-6	Clopyralid	DTXSID9029221	0	0	0	10.27088036	1.176470588	3.58176137	0.32519324	10.08071933	8.172207227	12.74562668	15.40287039
C171866312	171866-31-2	CP-283097	DTXSID8047264	0	0	0	2.488151659	1.235839341	26.1357263	0.137503524	21.23224601	13.82008716	22.89629702	7.78631438
C1724396	1724-39-6	Cyclododecanol	DTXSID1027429	0	13.18900974	0	5.229591837	2.75659824	11.14876313	0.299104598	20.23273273	2.264225223	14.42294151	22.93243095
C173584446	173584-44-6	Indoxacarb	DTXSID1032690	0	6.338673785	0	6.03848706	11.22881356	0.875452317	0.32422538	82.57032769	3.58850401	63.12125853	92.89690764
C17372871	17372-87-1	Eosin	DTXSID0025234	0	53.78017524	72.37072743	25.25380711	29.79827089	127.8581766	0.469373416	11.43318478	3.190232723	83.71282402	31.02638074
C174185161	174185-16-1	FR167356	DTXSID1048174	106.3432836	19.87600573	0	5.828220859	39.36170213	0.251371115	0.295307164	22.10650422	3.3533315	116.1101324	74.40329246
C1742149	1742-14-9	"1,1-Bis(3,4-dimethylphenyl)ethane"	DTXSID9029223	0	0	0	60.89918256	70.28571429	4.846807113	0.250525411	15.90553154	5.152810207	26.0585793	34.71758742
C17465860	17465-86-0	gamma-Cyclodextrin	DTXSID5047033	0	0	0	3.339191564	1.555023923	2.736534332	0.061306717	26.58037756	2.56385314	16.24446051	14.01111975
C175013180	175013-18-0	Pyraclostrobin	DTXSID7032638	0	0	0	30.88757396	14.18918919	-0.644078967	0.271203465	14.85776805	99.5164519	116.269392	115.7481988
C1760243	1760-24-3	"N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine"	DTXSID5027433	0	0	0	2.577660278	0.801832761	29.79673545	0.227885167	11.6856223	2.461416697	42.2087498	12.36530692
C1762954	1762-95-4	"Thiocyanic acid, ammonium salt"	DTXSID3029653	0	7.260241888	0	4.075691412	1.241868717	3.479147779	0.696228768	162.7737606	3.662932728	16.98512993	24.37093341
C1763231	1763-23-1	PFOS	DTXSID3031864	72.30027023	23.36262694	78.06273845	3.289094057	4.654895666	4.638165058	0.22007257	53.23349217	9.83098633	205.3512404	19.86651041
C17696627	17696-62-7	Phenylparaben	DTXSID4047882	0	19.9533275	0	10.64696893	9.773539928	4.939835339	0.046241423	19.74563736	3.457714897	53.24928752	27.17400376
C177785476	177785-47-6	PharmaGSID_47261	DTXSID3047261	0	0	22.93068839	8.55927698	9.398907104	2.502650136	0.378511623	27.27155164	3.299148275	14.92231332	15.31973927
C17796826	17796-82-6	N-(Cyclohexylthio)phthalimide	DTXSID8027793	0	0	0	57.10659898	48.70317003	3.969402522	0.113251097	86.57058421	2.196811567	88.88726636	93.31049468
C17804352	17804-35-2	Benomyl	DTXSID5023900	0	0	0	20.37422037	33.07839388	7.082767978	0.353199557	35.94103671	8.832242468	72.39571716	16.66096875
C17924924	17924-92-4	Zearalenone	DTXSID0021460	0	0	0	8.179419525	17.39130435	3.828535024	0.422274178	25.38493364	2.033398167	79.93281542	111.123757
C179465715	179465-71-5	CJ-013790	DTXSID2047303	0	0	0	33.80614657	21.77161153	16.48546705	0.485426827	17.9481262	3.860688925	101.6250315	110.5947395
C180084019	180084-01-9	SB236057A	DTXSID5047320	0	38.18046588	28.69281046	76.96275072	96.83078664	4.4108219	0	25.53454489	89.29213806	122.2878179	111.6496679
C1806264	1806-26-4	4-Octylphenol	DTXSID9022312	0	0	0	63.63636364	75.35911602	11.32382156	0.578146323	19.26912756	169.3208	177.1084337	108.6854317
C181274157	181274-15-7	Propoxycarbazone-sodium	DTXSID9034864	0	0	0	8.242074928	6.850715746	2.578993619	0.113541113	20.37850169	3.935192038	38.81125986	12.47336966
C181274179	181274-17-9	Flucarbazone-sodium	DTXSID3034614	0	0	0	2.060035315	2.699460108	1.737559344	0.240301069	17.78992479	4.575466192	10.14341923	13.29522418
C181640095	181640-09-5	SR144190	DTXSID4047339	0	0	0	11.95121951	3.290870488	46.15643965	0.239972499	7.918890388	2.708283903	25.79617834	21.10547797
C18172673	18172-67-3	(-)-beta-Pinene	DTXSID1041184	0	0	0	1.507537688	1.846670397	5.82278481	0.251367028	14.66546993	2.947101154	8.761027915	13.98510563
C1825214	1825-21-4	Pentachloroanisole	DTXSID2021103	0	0	0	8.256880734	3.41047503	2.096965639	0.402789157	13.56398728	2.480273622	21.75267576	15.95912747
C1836755	1836-75-5	Nitrofen	DTXSID7020970	0	0	31.9096587	32.4278438	76.22601279	23.85444744	0.509524366	19.31760957	3.831025254	86.69915227	78.63769653
C1843056	1843-05-6	Octabenzone	DTXSID9027441	0	0	0	9.933774834	25.14484357	3.116896498	0.174089259	10.01139379	2.210531184	170.3271028	35.13923327
C184653847	184653-84-7	Carabersat	DTXSID6047319	0	0	0	3.434867142	2.627166015	3.22771108	0	27.15834301	90.69584509	9.903112241	17.10618079
C1861321	1861-32-1	Chlorthal-dimethyl	DTXSID0024000	0	0	0	9.645909646	9.39524838	7.031564422	0.366402724	68.71450875	10.19147539	10.0440153	92.71167724
C1861401	1861-40-1	Benfluralin	DTXSID3023899	6.07468292	0	25.20661157	21.03151862	35.48387097	1.525836646	0.14149286	10.72724863	2.651404739	57.17187217	17.30067131
C186392654	186392-65-4	Ingliforib	DTXSID4047252	0	0	0	14.64646465	33.12236287	2.296552733	0.485426827	9.09524787	2.864901161	104.9925473	25.19540976
C1873887	1873-88-7	"1,1,1,3,5,5,5-Heptamethyltrisiloxane"	DTXSID1038795	0	0	0	4.081632653	2.389937107	86.72935222	0.326069733	5.131638892	3.016284451	6.156934917	8.756615801
C188425856	188425-85-6	Boscalid	DTXSID6034392	0	0	0	5.791962175	2.988260406	20.12425116	0.240952831	75.28296044	17.12863286	135.6344326	64.0051817
C188489078	188489-07-8	Flufenpyr-ethyl	DTXSID3034618	0	0	0	21.71945701	12.88546256	5.105633803	0.509730298	74.65027554	6.789504357	24.67621853	20.75791528
C189003927	189003-92-7	Trelanserin	DTXSID2047355	0	0	0	28.6128845	54.65498357	16.45818003	0.380480277	9.428895001	3.021595292	96.11799968	19.16411027
C18924668	18924-66-8	"2,2'-(Tetradecylimino)diethanol"	DTXSID5044865	0	0	103.1794334	61.23876124	58.05714286	3.550028487	0.23042974	25.8934656	2.364745768	102.9244469	110.5849718
C1897456	1897-45-6	Chlorothalonil	DTXSID0020319	20.57617472	17.90743494	37.13437897	59.57559682	79.74971559	2.122955027	0.050801176	160.5002203	1.385385202	125.0151291	112.7189151
C18979550	18979-55-0	4-(Hexyloxy)phenol	DTXSID4048195	0	0	0	78.82352941	88.41651263	1.689423745	0.126954079	21.38907079	5.325018846	91.44288398	50.94318276
C19044883	19044-88-3	Oryzalin	DTXSID8024238	0	0	0	70.47817048	70.07648184	3.620081411	0.184775392	102.9608539	6.004848883	749.2801772	105.801964
C1907659	1907-65-9	N-Butyl-p-toluenesulfonamide	DTXSID7042198	0	0	0	6.768687463	3.299340132	2.325715494	0.294604995	31.7239863	2.754306697	29.17597973	47.25100532
C1912249	1912-24-9	Atrazine	DTXSID9020112	20.77889352	0	22.69242111	1.545506583	5.94530321	9.983285215	0.540456115	19.61401798	7.01378668	9.435811284	20.14457739
C1918009	1918-00-9	Dicamba	DTXSID4024018	0	0	0	4.157549234	2.109704641	3.890323155	0.214362673	8.833530821	1.543830262	7.566764819	8.906765805
C1918021	1918-02-1	Picloram	DTXSID1021160	0	0	0	6.100795756	1.478953356	2.836310033	0.189525736	13.71387543	3.783863274	10.62101314	11.11827345
C1918167	1918-16-7	Propachlor	DTXSID4024274	0	0	0	14.825415	65.87395957	4.923263942	0.508896161	25.37537538	1.618880974	100.0486509	109.5299958
C1929733	1929-73-3	"2,4-D-Butotyl"	DTXSID1032309	0	0	0	1.461377871	2.567313713	4.031881441	0.212774062	11.18851009	2.743378379	13.33057011	11.98219636
C1929777	1929-77-7	Vernolate	DTXSID7024376	0	0	0	4.777594728	1.237113402	6.644759599	0.442835952	17.31884426	3.215273597	14.96360416	11.80989554
C1929824	1929-82-4	Nitrapyrin	DTXSID0024216	0	0	0	2.368421053	8.414872798	4.389037709	-0.014849356	81.88294186	3.072683998	11.03441573	15.60485181
C1934210	1934-21-0	FD&C Yellow 5	DTXSID1021455	0	0	0	3.109452736	2.5	5.195219124	0.317493124	10.54560824	3.295653764	16.80617332	21.0759263
C1936158	1936-15-8	C.I. Acid Orange 10	DTXSID6021082	0	0	0	3.237198352	2.579484103	0.972571934	0.195517673	11.75757987	2.960125807	19.98595506	29.14910677
C194098254	194098-25-4	CP-409092	DTXSID2047276	0	0	0	6.301652893	14.40203562	2.190420561	0.263034406	11.82827632	6.783097846	29.7473649	7.047192725
C1948330	1948-33-0	tert-Butylhydroquinone	DTXSID6020220	0	0	0	22.01342282	23.09299896	8.786795048	0.106915204	11.95039048	2.318828162	1060.903733	22.75245529
C19666309	19666-30-9	Oxadiazon	DTXSID3024239	0	0	0	23.91048292	44.97663551	1.211278793	0.172423308	23.94366197	2.56239223	87.03516649	98.03758429
C196808454	196808-45-4	Farglitazar	DTXSID1047310	65.38032567	23.51037553	78.14096685	18.83289125	48.69169511	1.027915608	0.137503524	10.52328718	4.633622172	114.1700405	21.16186302
C197077557	197077-55-7	UK-333747	DTXSID1047287	0	0	0	1.596806387	2.540176257	3.57821406	0.263034406	10.51811453	3.56376814	19.44884046	18.42397714
C19774824	19774-82-4	Amiodarone hydrochloride	DTXSID7037185	0	67.19662351	77.17041801	55.54080956	62.18220339	165.3904517	0.205505996	17.04730975	2.973992519	102.5221218	82.10666777
C19780111	19780-11-1	(2-Dodecenyl)succinic anhydride	DTXSID7025217	0	0	0	3.513513514	0.953516091	48.49064387	0.519710516	10.43940669	2.716976908	51.43833154	15.90802724
C1987504	1987-50-4	4-Heptylphenol	DTXSID2037714	20.42377869	4.808779853	7.009127077	75.90206186	65.79108125	4.063979109	0.439174405	14.74083347	3.001752748	42.97842236	55.91687249
C199119589	199119-58-9	Trifloxysulfuron-sodium	DTXSID8040222	0	0	0	11.97802198	7.953216374	2.246412667	0.312411032	9.293851039	3.376198259	15.84021671	15.86989174
C199171885	199171-88-5	CP-401387	DTXSID9047253	0	0	0	11.96172249	36.39344262	6.793565931	0.378511623	7.503665253	3.640085966	103.1480588	18.18410604
C199584388	199584-38-8	1-Methoxy-4-tert-pentylcyclohexane	DTXSID0048187	0	0	0	2.963473467	2.117647059	4.214776511	0.367137019	11.29965291	2.424593653	15.94392346	10.2238561
C2008415	2008-41-5	Butylate	DTXSID7023936	0	0	0	5.074257426	2.712060012	8.020057931	0.191791638	22.5987759	2.503890811	7.677370522	22.15527542
C200940234	200940-23-4	SB243213A	DTXSID5047322	0	1.908551012	0	24.28035044	21.64296998	4.539427282	-0.152003093	5.727084871	1.983683284	114.5578184	114.9749631
C2016571	2016-57-1	1-Decanamine	DTXSID2022171	0	0	0	97.43069642	87.51486326	4.613273881	0.224312851	10.59402194	52.19849396	14.43511772	16.79261347
C20265978	20265-97-8	4-Methoxyaniline hydrochloride	DTXSID3020093	0	0	0	1.486988848	1.400862069	11.73324419	0.36156729	32.37458649	5.668030107	18.41493074	14.75493667
C2031676	2031-67-6	Triethoxymethylsilane	DTXSID6042490	0	0	0	5.555555556	3.859250851	2.676659529	0.394549673	18.8613247	4.433186531	21.16011913	16.96507284
C20325400	20325-40-0	"3,3'-Dimethoxybenzidine dihydrochloride"	DTXSID1020485	62.60047795	76.22229246	0	21.16004296	31.40866103	8.323649041	0.509524366	23.2344395	2.071261802	88.13108093	84.42299102
C203942498	203942-49-8	UK-337312	DTXSID6047288	14.09416425	0	0	62.41134752	67.23585912	7.077878855	0.378511623	290.3495733	1.274591693	39.37551598	124.3510716
C2043574	2043-57-4	"1H,1H,2H,2H-Perfluorooctyl iodide"	DTXSID2047565	0	0	0	2.380952381	2.279484638	10.50068186	0.492589413	1009.085648	4.728467889	14.30214173	7.362005775
C2044646	2044-64-6	"N,N-Dimethylacetoacetamide"	DTXSID8027454	0	6.348103395	0	2.652519894	2.135231317	66.02788702	0.425907869	17.59299558	4.040436672	18.60692941	19.74618522
C2058460	2058-46-0	Oxytetracycline hydrochloride	DTXSID5021097	0	0	0	4.448105437	16.59793814	3.68384642	0.36751228	9.816729852	2.242966162	26.39517345	20.51299511
C2058948	2058-94-8	Perfluoroundecanoic acid	DTXSID8047553	0	0	23.81241279	4.187437687	3.571428571	8.119507909	0.329326085	10.66857447	8.69341202	20.34516188	21.03106786
C205992	205-99-2	Benzo(b)fluoranthene	DTXSID0023907	0	9.443719166	0	4.278074866	13.50515464	5.10685048	0.203950674	174.1269938	83.01050531	9.046791176	20.12951828
C206440	206-44-0	Fluoranthene	DTXSID3024104	0	0	0	30.61926606	39.15431082	37.724982	0.321750958	13.87176433	12.62281817	11.19855306	79.50468901
C207736058	207736-05-8	CI-1029	DTXSID8047262	31.85281121	0	0	3.191489362	6.189967983	15.2429554	0.263034406	566.1564269	3.757801444	32.81458924	12.66620084
C20780487	20780-48-7	"3,7-Dimethyloctan-3-yl acetate"	DTXSID5041487	0	0	0	3.120759837	0.466200466	3.384254708	0.092264735	9.429699576	4.720360021	13.28498434	9.201869134
C2078548	2078-54-8	Propofol	DTXSID6023523	0	0	0	12.88830139	7.560137457	7.991992609	0.100132939	18.71825316	2.39334465	18.98094397	15.58542681
C20830755	20830-75-5	Digoxin	DTXSID5022934	0	5.501710328	0	22.61904762	29.5010846	4.659427443	1.13085222	31.53374233	21.0161662	109.9480327	9.977424163
C208968	208-96-8	Acenaphthylene	DTXSID3023845	0	0	0	5.509355509	1.051625239	4.173677069	-0.03756992	20.4941519	2.354200061	12.6255908	16.31840922
C2104645	2104-64-5	EPN	DTXSID7022174	0	0	0	20.87628866	17.68488746	4.056162246	0.279535535	15.00098792	2.057571494	41.73275101	77.16474478
C210631688	210631-68-8	Topramezone	DTXSID0034722	0	0	0	5.994897959	1.006289308	4.55007815	0.166421757	14.38849231	1.696189915	17.85350868	20.63277186
C210826407	210826-40-7	CP-456773	DTXSID2047301	0	0	0	5.902578797	2.546689304	6.705987947	0.263034406	26.41768516	4.632364572	14.55533061	40.22709142
C21087649	21087-64-9	Metribuzin	DTXSID6024204	12.23021583	0	27.70569154	3.703703704	4.019851117	18.41567987	0.198381447	22.43692968	2.251234776	7.512400733	8.513670191
C210880925	210880-92-5	Clothianidin	DTXSID2034465	0	0	0	1.908801697	3.166496425	6.999734255	0.230270344	6.345091126	2.035140265	52.02016202	45.05716964
C2110181	2110-18-1	2-(3-Phenylpropyl)pyridine	DTXSID7042356	0	0	0	2.876712329	2.156334232	6.591956385	-0.039433524	37.88248833	3.905780951	12.20170455	31.3820027
C21145777	21145-77-7	"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"	DTXSID7041544	0	19.33903336	0	58.94117647	81.76216882	3.540847026	0.827004918	18.32643208	2.953312642	19.49594264	50.7071718
C2122705	2122-70-5	Ethyl 1-naphthaleneacetate	DTXSID3034583	0	0	0	4.711347047	5.111244738	4.950667188	0.109870288	8.708409922	1.420404751	19.25358435	47.92804733
C21245023	21245-02-3	2-Ethylhexyl 4-(dimethylamino)benzoate	DTXSID7029320	0	0	0	12.78481013	36.47058824	2.266145584	0.272757653	14.75608909	3.776607639	140.0483982	26.77830395
C2144538	2144-53-8	Tridecafluorohexylethyl methacrylate	DTXSID3047558	0	0	0	4.751131222	2.092511013	12.88732394	0.099771879	13.1147541	3.491027175	15.75276226	13.54789389
C214535770	214535-77-0	CP-457677	DTXSID2047278	0	0	0	14.89841986	14.44705882	3.871079736	0.263034406	8.808063103	2.036060248	54.51650261	23.08607249
C215297271	215297-27-1	UK-343664	DTXSID1047289	0	0	0	10.47315258	24.48087432	2.834493248	0.378511623	17.30271761	2.754966846	25.90680408	9.546457071
C2155706	2155-70-6	Tributyltin methacrylate	DTXSID9035204	0	73.19299098	33.77441212	68.25396825	56.80345572	-1.857068936	0.092875125	229.6196116	2.097079685	104.4053985	116.8561685
C21564170	21564-17-0	2-(Thiocyanomethylthio)benzothiazole	DTXSID6032647	0	0	0	102.9994001	50.16111708	7.667749216	0.2726911	32.31207474	7.362924139	111.4563978	87.11909707
C2164172	2164-17-2	Fluometuron	DTXSID8020628	0	0	0	8.484162896	1.982378855	7.024647887	0.233638772	26.4699307	5.071314523	20.630181	21.99053045
C21662099	21662-09-9	(4Z)-4-Decenal	DTXSID5041514	0	0	0	3.961748634	1.338199513	211.3469931	0.210339644	13.14079422	3.977080318	21.25844116	14.14708444
C21725462	21725-46-2	Cyanazine	DTXSID1023990	0	0	0	2.553191489	3.957783641	4.989059081	0.272274906	19.57592632	4.136546371	28.689506	12.39582897
C2176627	2176-62-7	Pentachloropyridine	DTXSID2022179	0	0	0	29.89690722	30.76098607	4.705148206	0.440000207	9.918067233	3.648693988	12.32371609	108.8924176
C219714962	219714-96-2	Penoxsulam	DTXSID0034803	0	0	0	6.303915063	4.766949153	8.089179409	0.208676428	11.91596043	3.157946261	18.42377307	20.91448982
C219790724	219790-72-4	SB281832	DTXSID5047324	0	0	0	9.636468552	4.654895666	26.82006242	0.137503524	7.477342234	3.640635961	74.90823956	22.43808872
C22047490	22047-49-0	2-Ethylhexyl octadecanoate	DTXSID9047178	0	0	0	4.53038674	1.41509434	5.990477565	0.166040927	15.17438544	3.127899323	12.78113854	15.9530779
C220860504	220860-50-4	CP-457920	DTXSID4047254	0	0	0	4.41014333	4.979004199	3.615705722	0.263034406	11.20800396	2.938899759	66.85216432	75.41997565
C221246124	221246-12-4	Fandosentan potassium salt	DTXSID5047249	0	50.60717327	53.22419395	9.92018244	20.39800995	2.154285244	0.263034406	6.232924964	2.92944873	106.256378	18.1457259
C2212671	2212-67-1	Molinate	DTXSID6024206	0	0	0	5.017103763	1.873935264	5.316846986	0.134128613	21.56640182	2.488394159	14.71970975	24.43424379
C221671621	221671-62-1	SR146131	DTXSID6047369	0	0	0	80.61465721	67.55602988	14.75482583	0.621561055	55.52947788	2.072308632	92.86744632	117.8779844
C22224926	22224-92-6	Fenamiphos	DTXSID3024102	0	37.5547009	0	3.350369108	9.008097166	17.75389177	0.094263099	28.37134854	5.60058372	133.7763012	84.43871024
C22248799	22248-79-9	Z-Tetrachlorvinphos	DTXSID1032648	0	0	0	21.60990712	44.61358314	5.707330268	0.262408643	18.75668835	1.752329328	96.92605084	97.6733071
C22260511	22260-51-1	Bromocriptine mesylate	DTXSID6020197	0	96.26250532	0	20.20606754	39.59571938	184.16654	0.122024845	19.58780446	1.995701895	88.31233421	89.85238835
C2231574	2231-57-4	Thiocarbazide	DTXSID7027461	0	0	0	7.780612245	1.583577713	2.931209759	0.152710991	16.42180536	4.4365714	89.79181468	21.7194985
C2243621	2243-62-1	"1,5-Naphthalenediamine"	DTXSID3020916	0	0	0	9.171974522	3.108252947	6.696745085	0.228182562	46.60945388	11.52844088	105.6478405	74.4793542
C2244215	2244-21-5	Potassium dichloroisocyanurate	DTXSID5026178	0	0	0	3.545232274	1.995012469	3.410151483	0.285774659	26.90023164	2.790830087	9.217200636	8.628255146
C22781233	22781-23-3	Bendiocarb	DTXSID9032327	0	0	0	12.59801359	12.51396648	5.500420521	0.445637454	36.29095164	2.970179747	16.26670499	47.7833131
C22839470	22839-47-0	Aspartame	DTXSID0020107	0	0	0	3.514739229	2.626756261	11.908646	0.296900766	34.24103846	4.504967784	8.034647338	23.28540877
C22915737	22915-73-7	"Hexane-1,6-diyl dibenzoate"	DTXSID0047539	0	0	0	9.158415842	4.443162147	5.167097518	0.262462021	10.53520341	3.7089671	59.1840665	16.58167744
C23031369	23031-36-9	Prallethrin	DTXSID0032572	87.3734228	8.160277817	0	41.26523506	90.47097481	13.22050527	0.065660187	12.41146198	4.592073241	97.24956572	93.20928252
C2303175	2303-17-5	Tri-allate	DTXSID5024344	29.46966984	0	34.53188602	60.35145524	41.95876289	3.462469734	0.171309324	16.16560443	3.068591994	10.41278384	31.35917188
C23089261	23089-26-1	Levomenol	DTXSID4042094	0	0	0	9.941520468	13.84790011	11.09921485	0.074375909	27.32050681	3.647183333	19.13562938	32.61536338
C230954093	230954-09-3	CP-544439	DTXSID8047266	0	0	0	6.272680145	9.887869521	5.531839203	0.765534746	31.22939237	3.104634332	41.08792337	90.25405989
C2310170	2310-17-0	Phosalone	DTXSID1024259	15.97867988	0	0	25.94558726	57.83898305	48.89693008	0.423438332	29.54409401	2.504183285	95.09863628	69.55394241
C23103982	23103-98-2	Pirimicarb	DTXSID1032569	0	0	0	16.25441696	5.900621118	3.127285241	0.32706687	223.7075617	2.747335464	16.39640191	10.24622503
C2312358	2312-35-8	Propargite	DTXSID4024276	12.76441944	0	34.42155309	52.84640172	44.15131906	1.77222545	0.441555431	14.29790866	1.468929853	117.6966567	112.8011208
C23135220	23135-22-0	Oxamyl	DTXSID6021086	11.27626847	0	24.88802628	6.884875847	2.494117647	9.044092119	0.26984381	24.09431853	3.675664737	13.42708996	21.4223241
C23184669	23184-66-9	Butachlor	DTXSID3034402	0	16.15773398	14.72591632	52.63761468	88.46787479	7.127429806	1.094263099	14.82108124	1.948890631	103.0395776	116.7355651
C2321075	2321-07-5	Fluorescein	DTXSID0038887	29.16150351	38.23476549	71.53500714	19.38073394	28.50182704	2.851751529	0.158975054	18.70060723	4.809540122	140.9246664	12.92806795
C23386529	23386-52-9	Dicyclohexyl sodium sulfosuccinate	DTXSID8027826	0	0	0	0.814111262	2.680652681	1.300763821	0.058065918	18.39129561	3.538637065	8.48191945	16.33818113
C23422539	23422-53-9	Formetanate hydrochloride	DTXSID4032405	0	0	0	12.63157895	8.023483366	4.780548115	0.206543207	11.7100098	4.392345903	5.107153469	21.12169456
C2353459	2353-45-9	FD&C Green No. 3	DTXSID3020673	0	60.51847643	63.95036888	2.687801516	1.514233798	5.803016859	0.262692575	12.92306822	1.787596216	19.64241816	83.9606764
C23564058	23564-05-8	Thiophanate-methyl	DTXSID1024338	0	0	0	9.008425146	20.17887088	8.827002559	0.245210364	19.64552637	12.59169565	17.42720296	31.38537211
C23564069	23564-06-9	Thiophanate	DTXSID3034531	0	0	0	4.931506849	19.57796014	3.424605583	0.145389352	16.434793	5.154081388	37.72849271	29.30384324
C23593751	23593-75-1	Clotrimazole	DTXSID7029871	0	0	0	33.37579618	40.76850984	0.089411164	0.510791232	115.5495617	3.224114213	96.47793853	121.488678
C23779320	23779-32-0	1-[3-(Triethoxysilyl)propyl]urea	DTXSID5044493	0	0	0	4.903078677	1.592039801	5.304755893	0.214319121	24.81322504	5.583786307	30.04180101	31.58916506
C2385855	2385-85-5	Mirex	DTXSID7020895	0	0	0	6.040268456	6.792058516	3.944979367	0.200065484	165.7804708	3.682656224	14.47861583	19.56034741
C2386870	2386-87-0	UT-632	DTXSID2027466	0	0	0	5.219206681	2.303030303	6.325878594	0.213688352	51.62216666	3.361167917	13.23975283	24.05142403
C2390605	2390-60-5	Basic Blue 7	DTXSID5038888	0	100.649734	111.7843306	67.34160679	51.06499181	5.067985167	0.819883056	165.1511542	0.71753454	102.667074	114.1022551
C2392394	2392-39-4	Dexamethasone sodium phosphate	DTXSID3047429	83.25289575	29.75596037	26.47843486	4.262672811	2.166064982	27.34951225	0.388219115	111.1650485	559.269162	35.23747604	-27.73421879
C23950585	23950-58-5	Propyzamide	DTXSID2020420	22.4582839	0	14.54363089	7.388535032	4.404873477	4.08736748	0.078609835	19.87832913	4.671194252	57.72274454	41.19283619
C2396681	2396-68-1	4-tert-Butylbenzenethiol	DTXSID9048196	0	0	0	3.841387856	0.431034483	3.376232659	0.367664241	14.71484714	3.332458532	15.19833673	13.8333256
C2409554	2409-55-4	2-tert-Butyl-4-methylphenol	DTXSID2020212	0	0	0	59.85736118	84.50536353	1.190626979	0.081469748	28.64736855	3.248535224	79.01040025	33.15104433
C24157811	24157-81-1	"2,6-Diisopropylnaphthalene"	DTXSID7035272	0	0	0	4.692663582	11.91294387	7.006467508	0.287992955	12.82847001	2.941865827	15.73917754	21.16545377
C24169026	24169-02-6	Econazole nitrate	DTXSID6025226	0	79.16320025	103.8803382	89.18187965	95.60047562	5.059166524	0.345281799	62.86311696	1.440652759	79.769897	114.2397236
C2416946	2416-94-6	"2,3,6-Trimethylphenol"	DTXSID6022187	0	0	0	4.847801578	2.110199297	5.643218502	0.214611257	32.53868674	3.748220895	12.51331351	15.03165947
C2425061	2425-06-1	Captafol	DTXSID4020242	0	0	0	85.63015312	68.01242236	1.21305975	0.215477153	154.5793042	6.817930882	115.5924402	114.1343029
C2425776	2425-77-6	2-Hexyl-1-decanol	DTXSID1041265	0	0	0	5.406943654	45.05119454	1.384708007	0.327913704	4.401535248	4.460435342	24.4897879	7.018739739
C2426086	2426-08-6	Butyl glycidyl ether	DTXSID9024691	0	0	0	4.209183673	0.879765396	6.69264656	0.236131433	18.38054132	2.655515765	16.31731332	9.765820256
C24307264	24307-26-4	Mepiquat chloride	DTXSID1024170	0	0	0	2.064220183	1.482701812	12.02303816	0.153986877	18.83425852	2.334007115	11.48834499	14.77226156
C2432873	2432-87-3	Dioctyl succinate	DTXSID0047537	0	0	0	8.067324434	5.69550931	9.639440765	0.444324726	14.42972193	2.375231953	14.05946764	10.32691585
C2433149	2433-14-9	4-Cyclohexylcyclohexanol	DTXSID3040722	61.502574	40.2640422	11.66003768	1.92513369	2.038735984	106.8755357	0.21077023	23.3713671	2.999583347	21.66595026	48.01066127
C2440224	2440-22-4	2-(2H-Benzotriazol-2-yl)-4-methylphenol	DTXSID1027479	0	0	0	6.666666667	15.16709512	92.46265381	0.22606023	26.35876284	21.74495867	10.17812942	52.13770649
C2445774	2445-77-4	2-Methylbutyl isovalerate	DTXSID4041440	0	0	0	3.09148265	2.633190447	2.434197506	0.147723206	14.57231379	3.544659462	15.85976805	32.18904714
C2451629	2451-62-9	Triglycidyl isocyanurate	DTXSID4026262	0	0	0	16.15720524	37.81278962	7.687296417	0.805827452	18.92378191	2.137065122	96.8793274	85.58296598
C24549062	24549-06-2	2-Ethyl-6-methylaniline	DTXSID7027833	0	10.46554739	0	1.871345029	1.207349081	6.356366619	0.861511925	17.16562986	1.83348369	9.121136361	12.41042526
C2457014	2457-01-4	Barium bis(2-ethylhexanoate)	DTXSID8044888	0	0	0	1.818181818	4.661280298	2.433291095	0.186731039	114.3482196	2.186942606	16.85154321	16.82435962
C24602866	24602-86-6	Tridemorph	DTXSID3041376	0	0	0	36.9022869	37.47609943	6.670284939	0.483030476	103.5229759	4.355741387	16.93900256	7.386209499
C2465272	2465-27-2	Auramine hydrochloride	DTXSID9020114	0	0	0	60.71428571	33.25513196	0.016943409	0.193976319	40.65326142	3.994054969	95.4054147	113.4234162
C2467029	2467-02-9	Bisphenol F	DTXSID4022446	0	59.30089674	0	16.15720524	20.99349497	5.451042611	0.339896506	15.28192853	2.023646587	67.16125876	86.13083102
C24800440	24800-44-0	Tripropylene glycol	DTXSID7027837	0	0	0	3.80952381	3.213367609	5.589441661	0.192481126	16.31594727	2.436574459	47.64912088	12.90574447
C24851987	24851-98-7	Methyl dihydrojasmonate	DTXSID2029325	0	35.10647467	0	2.74566474	1.858736059	2.988367858	0.3065168	23.17854283	2.70656587	12.8298007	31.20702263
C2491385	2491-38-5	2-Bromo-4-hydroxyacetophenone	DTXSID4034576	0	0	0	1.518987342	2.066590126	7.859249895	0.269575872	21.08007748	2.53230333	23.40704721	27.21326364
C2492264	2492-26-4	Sodium 2-mercaptobenzothiolate	DTXSID1026035	0	0	0	1.079136691	2.594033722	6.852497096	0.150284037	14.08571031	5.278372723	90.74833328	16.0985738
C249296433	249296-43-3	CJ-013610	DTXSID2047272	0	0	0	11.85860889	18.50746269	3.010510717	0.137503524	11.50990848	1.81175244	110.7031337	114.370277
C25057890	25057-89-0	Bentazone	DTXSID0023901	0	0	21.2044374	2.207505519	5.098493627	5.12957016	0.226287444	24.22888567	4.453440523	11.87026961	9.227531528
C25155184	25155-18-4	Methylbenzethonium chloride	DTXSID4035708	0	89.94738423	96.33820202	70.18469657	34.89702517	3.118648181	0.119994323	222.2131431	1.942078548	455.2147239	109.396352
C25155300	25155-30-0	Sodium dodecylbenzenesulfonate	DTXSID7025219	38.78254872	0	100.284587	10.02178649	12.65508685	17.02735811	0.343851465	15.76643087	2.73986322	129.0390707	15.51182089
C25168052	25168-05-2	Chlorotoluene	DTXSID0027852	0	0	0	2.902675014	1.478953356	6.76299418	0.074687771	21.63874308	2.555109765	17.18632916	14.84155455
C25265718	25265-71-8	Dipropylene glycol	DTXSID0027856	0	0	0	7.831646244	1.042654028	3.436196831	0.404123171	25.93037215	1.950265915	16.3410615	19.62813653
C2528167	2528-16-7	Monobenzyl phthalate	DTXSID9043938	0	0	0	-0.897308076	3.67965368	6.11599297	0.391681294	15.98982678	5.998272332	11.47631676	16.79804818
C25322694	25322-69-4	Polypropylene glycol	DTXSID9027863	0	0	0	2.432432432	1.191895113	8.246146923	0.381612119	19.24686192	4.715617692	13.2314181	14.61102767
C253450098	253450-09-8	Besonprodil	DTXSID2047270	0	0	0	14.81958763	28.40300107	6.627145086	0.263034406	13.50760069	2.372548583	42.64399435	78.83487149
C25360105	25360-10-5	tert-Nonanethiol	DTXSID4027868	0	0	0	4.324324324	1.78784267	4.21119736	0.450156014	20.53035872	2.855354495	19.70975485	21.89409349
C25496724	25496-72-4	Glyceryl monooleate	DTXSID3027875	0	17.34120754	78.42116918	2.456647399	3.841387856	0.409160044	0.308680346	14.22323636	5.294535692	33.43652868	16.09679922
C25498491	25498-49-1	Tripropylene glycol monomethyl ether	DTXSID2029329	0	0	0	3.299340132	3.437164339	2.911873177	0.492553332	14.49672847	3.791892995	12.19701929	13.40322597
C2550405	2550-40-5	Dicyclohexyl disulfide	DTXSID4047628	0	0	0	29.35323383	68.65497076	5.648742889	0.267490441	14.68669046	11.67812974	10.36781749	11.41680607
C2554065	2554-06-5	"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"	DTXSID3038808	0	0	0	15.72052402	40.50857481	2.663191296	0.071644391	9.806600432	4.169671945	22.98525211	10.32870763
C25550985	25550-98-5	Diisodecylphenyl phosphite	DTXSID3027877	0	0	0	4.20624152	5.477855478	4.242607578	0.298371131	15.58890113	6.123386504	34.50445657	21.67289916
C25606411	25606-41-1	Propamocarb hydrochloride	DTXSID6034849	0	0	0	4.985673352	3.823529412	16.39714518	0.18035922	22.68108108	2.583843466	17.73941399	31.36829749
C25638179	25638-17-9	Butylnaphthalenesulfonic acid sodium salt	DTXSID2041703	0	0	0	3.270223752	3.85078219	125.4070146	0.261354663	8.068550308	5.286933893	11.27661017	27.35193902
C25812300	25812-30-0	Gemfibrozil	DTXSID0020652	0	0	0	4.507042254	2.874251497	4.512796613	0.23736046	13.20736528	9.819992526	24.24574877	13.83769032
C2593159	2593-15-9	Etridiazole	DTXSID3032547	0	0	0	1.895734597	1.853759011	28.65956254	0.179322428	203.2163743	2.831573523	19.80673954	17.10984468
C25956176	25956-17-6	Allura Red C.I.16035	DTXSID4024436	0	0	29.8684735	7.11409396	3.761755486	4.506189821	0.28476609	17.21753633	2.163126102	17.31333978	38.70189532
C26002802	26002-80-2	Phenothrin	DTXSID7032688	0	3.920322694	0	15.90643275	45.19685039	9.206479393	0.507172612	15.56894313	3.190340131	21.95844475	10.02810351
C26027383	26027-38-3	Polyoxyethylene(10)nonylphenyl ether	DTXSID2036588	0	0	0	42.61904762	58.61182519	50.3019479	0.351673717	92.0281194	1.665297822	99.47183099	110.8782864
C26040517	26040-51-7	Bis(2-ethylhexyl) tetrabromophthalate	DTXSID7027887	0	0	0	1.356852103	1.864801865	8.322619678	0.364833082	12.28807619	141.8105813	40.6327294	9.092298401
C2605790	2605-79-0	"N,N-Dimethyldecylamine oxide"	DTXSID7042190	0	0	0	7.466852756	1.118304885	6.434398577	0.122280103	20.89859518	2.263364382	10.48393051	88.87624528
C2610119	2610-11-9	C.I. Direct Red 81 disodium salt	DTXSID5041726	0	78.13985778	83.21112516	2.189781022	2.465423933	3.63802321	0.299406156	8.261874438	2.682163447	12.22971291	48.8123142
C26172554	26172-55-4	5-Chloro-2-methyl-3(2H)-isothiazolone	DTXSID9034286	0	0	0	9.411764706	6.492146597	5.257322369	0.396036537	22.80457122	82.30551606	14.56516314	31.71338829
C261947380	261947-38-0	CP-532623	DTXSID7047279	0	0	0	5.050505051	9.810126582	6.138768346	0.263034406	17.53599773	8.090723719	56.76600858	15.73748288
C26225796	26225-79-6	Ethofumesate	DTXSID8034580	0	0	0	15.57734205	11.66253102	34.50387913	0.202046226	183.9924215	3.563519631	81.28591301	109.1631007
C262376750	262376-75-0	HMR1426	DTXSID9047338	0	12.53124758	0	17.8021978	23.2748538	0.788388587	0.287281952	12.27384138	12.55098627	107.6038754	79.07626263
C26264062	26264-06-2	Calcium dodecylbenzene sulfonate	DTXSID1027891	0	0	111.521511	35.39432177	51.01041029	3.113661851	0.284405345	26.7979698	2.422572506	15.93492161	29.34302003
C2627954	2627-95-4	"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"	DTXSID7038810	0	0	0	2.658227848	1.069518717	51.19914528	0.266209858	70.3709207	3.522907146	22.48107164	8.35850753
C2634335	2634-33-5	"1,2-Benzisothiazolin-3-one"	DTXSID5032523	0	0	0	73.09048179	97.44952179	5.479391669	0.218991635	64.04814004	1.44022852	92.89719593	110.7329423
C263553339	263553-33-9	GW473178E methyl benzene sulphonic acid	DTXSID6047313	0	0	0	8.465011287	1.835294118	1.68383289	0.137503524	26.30804814	1.116898344	16.33148514	18.02035624
C26402266	26402-26-6	Glyceryl monooctanoate	DTXSID8042006	0	0	0	1.58172232	2.392344498	2.751762681	0.314255367	26.63146615	3.968425071	9.648257725	8.634385545
C26447109	26447-10-9	Ammonium xylene sulfonate	DTXSID1027899	0	0	0	3.202328967	4.553518628	3.88712602	0.801230349	16.15064315	3.458479165	12.98942061	11.75754101
C264618442	264618-44-2	SSR146977	DTXSID8047341	0	0	0	51.46974063	62.88343558	8.829710006	0.381975479	37.97694357	3.041119724	61.81651133	23.09758025
C26530201	26530-20-1	Octhilinone	DTXSID1025805	0	42.58644909	0	88.60045147	42.87058824	1.093623423	0.14635653	11.89777259	2.093036646	130.4623319	110.761336
C26628228	26628-22-8	Sodium azide	DTXSID8020121	0	0	0	5.902578797	6.176470588	4.164784533	0.060203069	12.36989592	2.300615431	13.62392587	23.88000732
C26644462	26644-46-2	Triforine	DTXSID5032654	0	0	0	10.77147016	11.75213675	5.721840296	0.436465475	13.18987846	3.397017875	65.46200652	60.39400586
C2675776	2675-77-6	Chloroneb	DTXSID2024793	0	0	0	6.282420749	3.783231084	4.917281168	0.187210321	11.9539157	2.314299869	23.37377321	24.54544188
C2687254	2687-25-4	"2,3-Diaminotoluene"	DTXSID4027494	0	24.19814756	0	5.56768559	2.780352178	4.364820847	-0.051994638	14.93540596	6.933170704	26.61607554	15.86280331
C2687947	2687-94-7	N-Octyl-2-pyrrolidone	DTXSID4036435	0	0	0	3.566878981	1.334816463	0.579837836	0.348185826	50.0921659	3.072265322	20.84312648	13.56680332
C2687969	2687-96-9	1-Dodecyl-2-pyrrolidinone	DTXSID4042206	0	0	0	34.32671082	171.8424102	3.460356168	0.539423385	22.1418245	3.955937823	34.57681428	93.54613033
C26896208	26896-20-8	Neodecanoic acid	DTXSID7027916	0	0	0	2.295467922	1.73965207	14.45787764	0.224876258	16.93570037	3.777776703	16.63352273	6.976831842
C2694544	2694-54-4	Triallyl trimellitate	DTXSID4044901	0	0	0	7.683486239	1.331912627	9.934915773	0.174967811	15.7104771	1.644333071	21.96073686	16.09157195
C2696846	2696-84-6	4-Propylaniline	DTXSID5048180	0	0	0	1.917808219	0.404312668	3.727581507	0.182002103	22.0731941	3.213941396	13.88963859	11.55709679
C2702729	2702-72-9	"2,4-D sodium salt"	DTXSID4027496	0	0	0	2.241594022	1.826753094	9.342502516	0.141050211	7.505280105	2.244605019	11.30316895	13.80427128
C27090637	27090-63-7	"N,N,N',N'-Tetrabutyl-1,6-hexanediamine"	DTXSID1027920	0	0	0	2.549965541	1.27195639	8.145519077	0.102695453	23.57862712	2.657965461	17.16384453	10.28035259
C27138314	27138-31-4	Di(propylene glycol) dibenzoate	DTXSID6027921	0	0	0	30.74204947	30.53830228	11.78646707	0.469899434	16.49175412	2.087463673	17.16309271	91.8567531
C27176870	27176-87-0	Dodecylbenzenesulfonic acid	DTXSID6027923	0	0	103.1045857	21.5536105	39.60216998	0.525238138	0.299443346	159.1621779	49.09587248	94.64459591	30.25797586
C27178161	27178-16-1	Diisodecyl hexanedioate	DTXSID1027924	15.69668976	0	0	3.938730853	1.627486438	4.816166652	0.284917524	15.4449834	5.285080814	11.91131282	20.56829405
C271896	271-89-6	"2,3-Benzofuran"	DTXSID6020141	0	0	0	7.462686567	3.913043478	115.1553785	0.441086571	83.05561132	164.3558168	144.6280992	31.04413406
C27193868	27193-86-8	Dodecylphenol	DTXSID1027926	0	0	19.77773204	89.43661972	90.53892216	3.219542507	0.273904837	79.95423508	2.319909675	89.60215649	112.9425292
C27253334	27253-33-4	Calcium neodecanoate	DTXSID9044902	0	0	0	3.376981392	2.352941176	13.64312531	0.161667901	29.7827152	1.74545241	37.33980617	9.209798099
C27306781	27306-78-1	Silwet L77	DTXSID1040611	0	0	0	25.22292994	63.7374861	1.765707414	0.432278691	16.01486828	2.835366164	109.1086768	112.5076278
C27314132	27314-13-2	Norflurazon	DTXSID8024234	7.358561625	0	7.480433474	2.20713073	3.9445629	15.9703504	0.142849501	36.074661	9.432994419	9.544794581	13.29951247
C27323417	27323-41-7	Dodecylbenzene sulfonate triethanolamine(1:1)	DTXSID5027932	0	0	99.6942644	4.269662921	3.628117914	25.15063913	0.091116812	13.96614974	3.512146938	18.02900461	14.47024401
C27344418	27344-41-8	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	DTXSID6036467	0	0	81.68494516	2.602739726	0.539083558	6.553014733	0.373597445	194.4782709	2.640286607	9.42661137	8.668517522
C2756561	2756-56-1	Isobornyl propanoate	DTXSID2042062	0	0	0	17.04768125	9.011469143	3.285949732	0.227089915	17.7843218	2.453978069	16.58737412	14.42336806
C2761242	2761-24-2	Triethoxypentylsilane	DTXSID1042491	0	0	0	1.910828025	1.557285873	1.849051662	0.099274777	14.43785111	4.762356453	46.67967078	14.17206063
C2772454	2772-45-4	"2,4-Bis(1-methyl-1-phenylethyl)phenol"	DTXSID7029241	0	0	0	67.54966887	52.11267606	5.53781141	0.305569406	354.0073903	2.609508528	60.17478167	113.1630818
C2782572	2782-57-2	Troclosene	DTXSID8024993	0	0	0	1.431024614	2.734839477	10.13523781	0.13813447	24.57714964	2.091989969	17.80078895	16.9504804
C2783940	2783-94-0	FD&C Yellow 6	DTXSID6021456	0	0	0	6.884875847	2.588235294	2.979979169	0.485366791	76.38525086	1.625316119	14.8765916	9.466875626
C2795393	2795-39-3	PFOS-K	DTXSID8037706	78.21176065	0	71.1018711	3.625209147	8.852459016	6.020551918	0.213947193	35.33282165	4.614982719	16.51430188	20.86569039
C27955948	27955-94-8	"4,4',4""-Ethane-1,1,1-triyltriphenol"	DTXSID2037712	107.6345432	26.25613132	0	37.96498906	71.06690778	106.8904122	0.928496597	22.28909352	3.3115262	102.2560283	114.5611464
C2807309	2807-30-9	2-Propoxyethanol	DTXSID1027500	0	0	0	3.448275862	1.423487544	5.298534144	0.210604872	26.17886174	1.921728986	15.47529661	16.44587661
C28159980	28159-98-0	Cybutryne	DTXSID3032416	0	0	0	2.89017341	3.841387856	1.690195154	0.184514183	10.51350068	2.89294157	68.93310202	45.28472662
C28249776	28249-77-6	Thiobencarb	DTXSID6024337	0	0	0	9.34416715	16.9769989	10.66961001	0.402304933	18.61596286	1.721466128	33.60068335	34.96317185
C283594901	283594-90-1	Spiromesifen	DTXSID1034929	0	0	0	1.438848921	1.297016861	6.194347658	0.321570801	14.8231467	2.87096423	14.41596201	18.65381101
C2835952	2835-95-2	5-Amino-2-methylphenol	DTXSID9024489	0	0	0	7.573964497	2.413127413	8.690572481	0.298857328	67.70345017	11.07215697	226.7338828	44.50629315
C28434006	28434-00-6	S-Bioallethrin	DTXSID2039336	0	0	0	88.80597015	59.7826087	14.56573705	0.511379092	8.651258232	2.863351298	99.66849481	115.299201
C28631665	28631-66-5	C.I. Acid Blue 22	DTXSID9044904	0	78.21721882	78.69438855	3.056768559	6.196581197	14.45795875	0.449378437	14.91382678	2.841348769	11.23469512	19.70612268
C2870328	2870-32-8	C.I. Direct Yellow 12	DTXSID5041728	0	90.17890393	105.4673892	2.167630058	2.230483271	68.41969966	0.225239611	11.32824465	2.12237282	12.63443345	20.06989238
C28804888	28804-88-8	Dimethylnaphthalene	DTXSID7025130	0	0	0	1.780821918	0.134770889	3.844406464	0.144353334	19.24239371	5.857751983	13.35322022	13.36754961
C288104790	288104-79-0	Surinabant	DTXSID2047357	0	0	0	14.30260047	38.39235526	3.655243451	0.432555574	14.81075106	1.304115367	112.8977078	109.084757
C288324	288-32-4	Imidazole	DTXSID2029616	0	0	0	5.732484076	2.774694784	8.22556391	0.396649844	53.12648531	2.929241254	20.96527317	11.58550707
C288880	288-88-0	"1H-1,2,4-Triazole"	DTXSID6027131	0	0	0	6.77052127	1.380452789	56.36274389	0.230985032	15.68583114	3.178290719	13.94986334	18.09276
C2893789	2893-78-9	Sodium dichloroisocyanurate	DTXSID3024994	0	0	0	1.253481894	0.436681223	7.671511897	0.22704253	37.50677892	1.368236081	12.66726137	35.80820396
C289716945	289716-94-5	CP-607366	DTXSID6047280	0	43.83374102	0	88.24911868	69.39426142	8.891337888	0.378511623	27.45751851	3.512312716	27.16659887	111.4716702
C290352282	290352-28-2	CP-634384	DTXSID7047306	0	8.527072697	0	5.359179019	4.258943782	3.438948995	0	15.25261651	2.950125458	11.19688182	16.59114812
C29091212	29091-21-2	Prodiamine	DTXSID1034210	0	0	0	56.62650602	65.03352243	11.52699569	0.061535252	45.14046164	1.756240969	103.8242468	114.1627972
C29122687	29122-68-7	Atenolol	DTXSID2022628	0	0	0	1.776649746	2.593659942	1.390324581	0.401552626	45.08149574	5.048242807	14.45723676	24.87244771
C291305061	291305-06-1	UK-373911	DTXSID5047295	0	0	0	57.30337079	68.48072562	6.356448748	0.263034406	15.01861625	1.449845059	102.0763322	113.5482104
C2917739	2917-73-9	Dibutyl nonanedioate	DTXSID5044815	0	0	0	2.297297297	1.311084625	76.27779653	0.02705424	21.43048627	2.979359654	9.724471233	12.6291573
C2919666	2919-66-6	Melengestrol acetate	DTXSID5048184	0	84.3803311	39.25957813	52.32273839	75.93516209	37.91370522	0.473777062	30.6881321	283.9885432	102.9548252	1.166280408
C2921882	2921-88-2	Chlorpyrifos	DTXSID4020458	0	0	0	54.94949495	44.62025316	5.553659369	0.515815269	19.15211518	2.700529586	115.4046462	28.87945971
C29232937	29232-93-7	Pirimiphos-methyl	DTXSID0024266	24.1979339	0	10.99966566	21.01010101	19.092827	5.261104881	0.105892589	6.235071154	18.80887104	28.72470323	54.55503385
C2934056	2934-05-6	"2,4-Diisopropylphenol"	DTXSID7042273	0	0	0	92.83919598	77.28035814	2.712477396	0.304480603	20.33191637	3.769112873	30.16366697	30.75357943
C29385431	29385-43-1	Tolyltriazole	DTXSID0026171	0	0	0	3.491700057	2.734839477	101.3371828	0.145339363	109.0906351	2.409808908	10.40008526	10.0093619
C29387868	29387-86-8	Propylene glycol monobutyl ether	DTXSID6029755	0	0	0	2.577660278	1.145475372	9.932245149	0.116186558	9.591282672	2.462180736	13.92160186	12.68703818
C29420493	29420-49-3	PFBS-K	DTXSID3037707	0	0	0	2.600472813	2.641933671	1.494947245	0.28661806	68.36479418	7.675613131	158.0434783	29.13629458
C2943751	2943-75-1	Triethoxyoctylsilane	DTXSID2029246	0	0	8.551307847	9.400544959	17.25714286	3.018129378	0.338449295	35.60721982	77.30377368	80.08553758	30.59687222
C29590429	29590-42-9	Isooctyl acrylate	DTXSID8027955	0	0	0	15.17696461	4.726100967	2.44949634	0.480254443	16.17901812	1.517079618	15.28464975	100.9602219
C2971360	2971-36-0	"2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane"	DTXSID8022325	79.0581023	56.94353516	95.45166403	39.05529954	77.97833935	7.701428599	0.331951823	55.59638446	74.83355369	88.08014172	118.6063529
C298000	298-00-0	Methyl parathion	DTXSID1020855	81.76700329	32.40544452	15.23178808	24.08668731	14.08090118	12.17684526	0.130103896	13.93389069	2.755674482	8.129259843	91.94629944
C298022	298-02-2	Phorate	DTXSID4032459	0	0	0	9.893992933	6.775700935	9.104447975	0.468403922	21.05224896	2.304014781	11.8395302	20.04056356
C298044	298-04-4	Disulfoton	DTXSID0022018	4.565677646	0	22.72285251	6.105990783	3.971119134	6.163820306	0.304289956	40.17607043	1.90026553	23.80754593	6.303025824
C298077	298-07-7	Bis(2-ethylhexyl) phosphate	DTXSID1027134	0	0	63.57774968	5.498489426	26.82926829	226.6448003	0.27209881	15.09725564	3.091981895	98.50267037	10.64170223
C298198524	298198-52-4	SSR180711	DTXSID2047359	0	0	0	14.25531915	3.869832894	52.53464624	0.379908636	9.429619194	2.099886193	10.61672697	24.27848363
C29836268	29836-26-8	Octyl beta-D-glucopyranoside	DTXSID6042234	0	0	0	4.705882353	3.265557609	19.20851655	0.133845073	19.70316197	2.91373307	9.45352208	8.925260016
C298464	298-46-4	Carbamazepine	DTXSID4022731	0	0	0	3.804656445	4.858299595	8.339510749	0.464593324	13.03881353	3.680407786	8.56317539	14.70789036
C2996921	2996-92-1	Trimethoxyphenylsilane	DTXSID5040700	0	0	0	3.058823529	0.67775724	21.70793798	0.020921282	15.44262015	6.746759023	35.55909206	21.31978518
C300765	300-76-5	Naled	DTXSID1024209	0	0	0	33.9481268	50.71574642	7.729339396	0.32706687	45.12378503	2.664090047	86.00365345	98.70394996
C3025307	3025-30-7	"Ethyl (2E,4Z)-deca-2,4-dienoate"	DTXSID0041357	0	0	0	72.34200743	70.39711191	1.749988395	0.199043577	22.34531773	3.59381727	70.47553883	91.91097013
C3026639	3026-63-9	Sodium tridecyl sulfate	DTXSID4042418	0	0	108.2420987	17.45495495	31.7620651	11.08606419	0.011189299	41.88711624	4.436705676	16.4546716	30.96697449
C302794	302-79-4	all-trans-Retinoic acid	DTXSID7021239	39.47425592	0	0	41.25295508	70.54525014	2.060076279	0.437133604	31.47681243	2.575859679	75.63829757	50.7211549
C3033770	3033-77-0	"N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride"	DTXSID1044643	0	0	0	3.821656051	7.502679528	113.7415404	0.298628007	15.39104977	2.199516777	8.796647192	23.23702098
C30399849	30399-84-9	Isooctadecanoic acid	DTXSID2027963	0	0	6.328379006	3.345724907	3.663793103	7.922446933	0.256716682	18.30482574	3.955245008	53.08786309	26.0710945
C30516871	30516-87-1	3'-Azido-3'-deoxythymidine	DTXSID8020127	0	0	0	1.92513369	1.75257732	6.014104972	0.271172475	167.0911248	2.983076029	54.99997208	12.65377401
C30560191	30560-19-1	Acephate	DTXSID8023846	5.780633008	0	13.29032258	2.503128911	2.89626119	4.624065454	0.400084099	29.3920424	2.790413428	7.552115582	12.60438542
C3056175	3056-17-5	Stavudine	DTXSID1023819	0	0	0	11.14922813	5.414364641	4.497020047	0.103821417	11.16671718	2.754716285	128.974359	8.654124559
C307244	307-24-4	PFHxA	DTXSID3031862	0	5.067716202	0	7.166482911	3.239740821	3.890704604	0.366322214	29.83901426	4.547220284	35.17786561	20.45650269
C309002	309-00-2	Aldrin	DTXSID8020040	0	0	0	71.51300236	39.59445037	13.51231418	0.365216035	101.2632348	2.623196352	21.74352289	113.1045974
C311455	311-45-5	Paraoxon	DTXSID6024046	0	0	0	1.692789969	3.542573027	1.257965585	0.311334017	24.73767923	1.352402036	72.02265372	72.41124399
C31218834	31218-83-4	Propetamphos	DTXSID7032470	0	0	0	12.48322148	5.224660397	4.814305365	0.109273974	11.49317004	2.063629542	32.25230587	18.59844777
C313994795	313994-79-5	MK-578	DTXSID0047327	0	0	0	6.113769272	15.19125683	11.98322349	0.421202097	8.787584375	3.257457985	15.86680305	24.67493101
C314409	314-40-9	Bromacil	DTXSID4022020	0	0	0	3.270223752	3.249097473	5.730374296	0.162558688	8.955029815	1.765110369	13.28548823	16.68664326
C3147759	3147-75-9	Octrizole	DTXSID9027522	0	0	0	34.34343434	53.16455696	3.144960749	0.398924264	7.288719301	3.046080719	20.82123351	24.10923569
C31519229	31519-22-9	"1,4-Dihydroxy-2-naphthoic acid"	DTXSID0037730	0	58.34740792	0	111.9897959	98.36477987	1.116431389	0.211109454	25.58245774	7.926026546	64.44918185	109.7944054
C3164850	3164-85-0	Potassium 2-ethylhexanoate	DTXSID4027525	0	0	0	4.949053857	1.833234772	4.295104261	0.137503524	9.087741937	3.57995352	23.31296686	18.52761802
C3194556	3194-55-6	"1,2,5,6,9,10-Hexabromocyclododecane"	DTXSID4027527	0	0	0	19.5890411	67.38544474	13.98221665	0.340850784	19.87855142	26.79673223	77.23975161	103.7802774
C319857	319-85-7	beta-Hexachlorocyclohexane	DTXSID7020685	0	0	0	5.200945626	3.428892636	0.740513906	0.489753242	19.36397831	14.35196227	10.42075475	21.80908342
C32388559	32388-55-9	1-Cedr-8-en-9-ylethanone	DTXSID4029353	0	0	0	16.72862454	76.89530686	5.890544492	0.207950148	12.58134771	2.323670788	15.93720628	53.70553516
C3252435	3252-43-5	Dibromoacetonitrile	DTXSID3024940	0	0	0	5.882352941	5.726341169	48.46229347	0.119800262	83.48237685	2.530665804	16.12562936	19.75605719
C3268493	3268-49-3	3-(Methylthio)propanal	DTXSID9027528	0	0	0	6.193693694	1.346801347	4.309938766	0.123681385	44.95734185	2.380782055	13.10869201	15.57015795
C32809168	32809-16-8	Procymidone	DTXSID9033923	73.53603604	3.343500546	18.13851955	7.213930348	0.434782609	5.658381809	0.365433232	15.46491398	2.107346759	81.13362946	96.3862082
C328847	328-84-7	"1,2-Dichloro-4-(trifluoromethyl)benzene"	DTXSID5027142	0	0	0	1.671826625	1.170960187	14.30889911	0.056555087	26.42521797	2.464674481	10.4381016	7.530942776
C3296900	3296-90-0	"2,2-Bis(bromomethyl)-1,3-propanediol"	DTXSID9020164	0	0	0	4.076433121	3.842549203	5.058117256	0.691847744	37.09483794	2.422655178	13.59536622	17.41023243
C330541	330-54-1	Diuron	DTXSID0020446	0	25.91794173	0	11.70278638	7.731694828	9.928812289	0.253637894	11.93563852	2.771681217	25.88303416	70.97954609
C330552	330-55-2	Linuron	DTXSID2024163	83.06550771	60.68648544	23.90330189	9.433962264	15.92039801	11.70946267	0.331658586	14.38104943	4.142976017	66.09566784	89.58609401
C33089611	33089-61-1	Amitraz	DTXSID5023871	0	0	0	28.03297998	62.73291925	9.730287779	0.215189735	35.46278948	57.93632848	66.8117519	103.4519968
C331623064	331623-06-4	MK-547	DTXSID4047331	0	0	0	3.904923599	5.543710021	16.98113208	0.448621386	75.04915884	1.910269277	28.28613855	22.12199083
C3319311	3319-31-1	Tris(2-ethylhexyl) trimellitate	DTXSID9026265	0	0	0	1.797752809	8.9569161	11.8874299	0.296399685	23.40997508	5.39498001	34.64479391	12.47618019
C33228443	33228-44-3	4-Pentylaniline	DTXSID0040707	27.11738484	10.80445596	17.91954023	7.212925563	4.159132007	111.1965923	0.196191765	299.6947706	3.217499296	32.89247042	32.62327844
C33228454	33228-45-4	4-Hexylaniline	DTXSID5040708	0	0	0	7.792207792	2.285714286	1.848686666	0.360492257	16.55372742	1.572016892	82.87880801	21.35019361
C333415	333-41-5	Diazinon	DTXSID9020407	35.02050438	0	25.87085811	17.67676768	18.56540084	0.70700668	0.320778079	18.11819042	2.298362422	63.05097884	34.58166526
C3337711	3337-71-1	Asulam	DTXSID8023890	0	0	0	9.891366495	2.762430939	7.711757269	0.235470766	15.23919093	46.59109958	15.01302099	26.76138686
C334485	334-48-5	Decanoic acid	DTXSID9021554	0	0	0	2.031340685	1.971522453	26.95609517	0.115832764	30.85391784	3.768810086	148.4782609	10.81954316
C335671	335-67-1	PFOA	DTXSID8031865	12.15836929	0	16.1693156	3.74862183	3.995680346	1.823993079	0.465336178	12.27015159	7.341582456	32.05610674	24.53881959
C335762	335-76-2	PFDA	DTXSID3031860	0	0	76.0378134	5.017103763	12.89040318	4.466769706	0.167825147	35.05225991	10.87852978	24.77537282	5.455000072
C33629479	33629-47-9	Butralin	DTXSID3032337	0	0	0	45.65952649	72.68464244	10.46735726	0.443048111	8.717202694	2.525708199	11.99678561	19.98135112
C33703081	33703-08-1	"Hexanedioic acid, diisononyl ester"	DTXSID5027982	0	0	0	2.471169687	1.237113402	4.195780007	0.255838904	9.140950002	3.854151996	10.1274892	9.796216531
C3380345	3380-34-5	Triclosan	DTXSID5032498	84.9900266	45.93232261	49.29680812	64.88915518	81.77802319	2.810160756	0.16279515	112.6604709	4.316187296	701.8892467	116.6554236
C33820530	33820-53-0	Isopropalin	DTXSID8024157	0	0	0	21.55756208	71.18811881	41.82121275	0.465091188	17.69869471	2.163891999	27.17953707	64.58741941
C3383968	3383-96-8	Temephos	DTXSID1032484	30.62783974	11.7527696	51.93321617	4.507042254	1.19760479	1.833080896	0.163168172	6.345393185	2.112824387	77.50504011	108.2847676
C3391864	3391-86-4	1-Octen-3-ol	DTXSID3035214	0	0	0	0.744132799	2.445141066	5.872523275	0.365433232	139.7552058	4.715773786	39.19164845	19.72872282
C33956499	33956-49-9	Codlelure	DTXSID1035288	0	0	0	28.59097127	25.78125	6.967840735	0.326845014	12.12542944	2.841491196	99.99587996	55.25762276
C34014181	34014-18-1	Tebuthiuron	DTXSID3024316	0	0	0	4.52876377	2.239641657	9.549054257	0.479062132	13.66830426	5.157553149	11.89196872	8.835366984
C34256821	34256-82-1	Acetochlor	DTXSID8023848	0	55.12970415	0	27.34288864	31.3174946	2.717965971	0.307776834	36.16332737	4.042461274	108.8067308	111.911055
C34451199	34451-19-9	Butyl (2S)-2-hydroxypropanoate	DTXSID4042335	0	0	0	1.417525773	1.160659743	4.515996061	0.080415372	5.841862412	2.272462913	42.65016434	17.60728862
C344930956	344930-95-6	SSR69071	DTXSID1047368	0	0	0	105.9624109	85.69032979	4.280653415	0.281452873	40.50064827	2.077162831	39.93579148	37.31699228
C3452979	3452-97-9	"3,5,5-Trimethyl-1-hexanol"	DTXSID7029661	0	0	0	3.040734366	2.527075812	9.879988836	0.198328716	29.93197279	1.793392202	8.401002531	20.63642699
C34590948	34590-94-8	Dipropylene glycol monomethyl ether	DTXSID0027983	0	0	0	3.311258278	1.950162514	4.102992482	0.377939239	22.57215005	3.506432166	10.72404412	109.5619386
C349495427	349495-42-7	PharmaGSID_47263	DTXSID3047263	16.71854157	0	0	7.261292167	3.20441989	13.34657757	0.263034406	13.19474836	4.165508328	53.09434281	77.09993945
C35256850	35256-85-0	Butam	DTXSID5041691	0	0	0	7.643312102	2.624179944	4.521650275	0.438311857	13.34017313	2.285070648	14.17525773	17.96817784
C353280076	353280-07-6	CP-612372	DTXSID1047281	0	0	0	28.6199095	35.9030837	1.320422535	0.137503524	15.04763434	7.05743147	58.84683559	13.78581881
C35367385	35367-38-5	Diflubenzuron	DTXSID1024049	0	0	0	0.253485425	2.06185567	111.6995529	0.40053454	21.398318	5.346257103	25.70585696	14.21534072
C35400432	35400-43-2	Sulprofos	DTXSID8032675	0	0	0	3.018625562	0.954653938	7.885018465	0.205788293	15.01793502	2.723935182	10.38079725	23.70242752
C3547339	3547-33-9	2-Hydroxyethyl octyl sulfide	DTXSID6032516	0	0	0	2.678571429	1.761006289	2.59508274	0.479379319	13.4873472	2.565504797	29.56086494	5.551886444
C35554440	35554-44-0	Imazalil	DTXSID8024151	82.03164964	52.70864285	19.52226482	37.31343284	54.34782609	19.79282869	0.237300437	66.21241593	1.846204103	98.24296989	111.8817452
C35575963	35575-96-3	Azamethiphos	DTXSID9034818	0	0	0	27.40574001	33.40732519	3.210301298	0.148203799	31.96004881	2.33113381	69.11110729	59.79312888
C35691657	35691-65-7	"1,2-Dibromo-2,4-dicyanobutane"	DTXSID3024944	0	0	0	62.79336005	77.80564263	55.9051484	0.32352928	39.05205755	3.654195249	107.0486456	112.7148602
C361343193	361343-19-3	Elzasonan	DTXSID7047277	0	0	0	65.32544379	71.81467181	2.201851353	0	28.14230995	1.537599949	101.1387483	116.2831519
C361377299	361377-29-9	Fluoxastrobin	DTXSID2034625	0	0	0	11.1665005	27.70562771	5.096660808	0.147721829	5.319765107	0.972196674	110.9912114	116.1673729
C3622842	3622-84-2	N-Butylbenzenesulfonamide	DTXSID7027540	0	0	0	2.713987474	1.31496556	1.768423674	0.109595501	19.62822987	2.44937737	21.96634049	51.70130144
C3653483	3653-48-3	MCPA-sodium	DTXSID2034700	0	0	0	2.637614679	0.266382525	13.45712098	0.177281429	13.59525739	5.331806767	12.55927376	12.14280004
C36631308	36631-30-8	Triisodecyl trimellitate	DTXSID3047180	0	0	0	4.514363885	11.27232143	7.274119449	0.162235728	9.054114019	5.549779478	12.44949769	12.62526213
C36653824	36653-82-4	1-Hexadecanol	DTXSID4027991	0	0	0	8.88252149	7.941176471	2.881922486	0.190472162	42.61132484	5.900376537	128.4004353	26.5043816
C36673162	36673-16-2	Isopropyl triethanolamine titanate	DTXSID7044928	0	0	0	4.577968526	1.158748552	13.24830817	0.331944115	15.34831906	2.098801299	28.55559212	15.38503324
C36734197	36734-19-7	Iprodione	DTXSID3024154	11.23221539	0	14.97826814	4.082955282	2.403577418	1.948435347	0.288204982	22.83613049	2.517699721	13.1388694	28.18943899
C3681718	3681-71-8	(3Z)-3-Hexenyl acetate	DTXSID0041484	0	0	0	5.524861878	0.943396226	12.96205454	0.306312654	19.78362537	2.539359413	12.93860153	19.03520043
C368832422	368832-42-2	CP-728663	DTXSID1047283	0	0	0	30.20057307	41.47058824	11.59092962	0.137503524	62.64291965	26.40895594	47.64333611	40.69628881
C3691358	3691-35-8	Chlorophacinone	DTXSID2032348	0	54.81511133	40.06430868	30.4516129	22.94478528	2.342521314	0.212757287	13.76197094	3.202499028	108.8893483	104.7852678
C3734336	3734-33-6	Denatonium benzoate	DTXSID8034376	80.11764706	10.68862087	19.76183726	1.882352941	4.990757856	15.34367045	0.15470795	15.32704198	2.394698147	13.56661242	9.247245377
C3734676	3734-67-6	C.I. Acid Red 1	DTXSID9044663	0	0	0	5.488958991	2.755664421	5.498383798	0.394202247	14.80307413	2.588251989	15.61535469	33.83789205
C3739386	3739-38-6	3-Phenoxybenzoic acid	DTXSID1038321	0	0	0	5.773420479	3.325062035	17.35402205	0.16374397	25.49234136	2.643251207	7.65533049	6.839317051
C375859	375-85-9	Perfluoroheptanoic acid	DTXSID1037303	0	0	0	4.740904079	2.915766739	2.487263289	0.103231621	297.9158737	5.508429653	52.63823808	10.9582866
C375951	375-95-1	PFNA	DTXSID8031863	43.69718917	0	70.55171076	8.55927698	6.994535519	2.59943771	0.432646426	11.17656353	4.539658278	35.5191681	9.79662385
C37764253	37764-25-3	Dichlormid	DTXSID4027997	0	0	0	2.93398533	1.87032419	1.895326298	0.250827598	17.42462907	4.406809141	17.73170354	11.51993024
C3811049	3811-04-9	Potassium chlorate	DTXSID6047448	0	0	0	2.284710018	1.555023923	71.89151324	0.257723549	9.915961884	2.095397578	18.65448197	3.376626727
C3811732	3811-73-2	Sodium (2-pyridylthio)-N-oxide	DTXSID3042390	0	0	0	5.786026201	22.98424467	7.296416938	0.311358853	72.3647338	2.567618397	104.9809396	110.4293821
C3825261	3825-26-1	"PFOA, ammonium salt"	DTXSID8037708	0	0	65.00873165	3.304773562	3.807390817	5.739904444	0.291554446	11.09547942	4.046358943	47.82960197	18.12003063
C3844459	3844-45-9	FD&C Blue No. 1	DTXSID2020189	0	38.41706522	56.00464718	3.77039955	4.328523862	5.203774444	0.523561956	12.96115858	2.552444651	14.42282009	85.52664114
C3855321	3855-32-1	"2,6,10-Trimethyl-2,6,10-triazaundecane"	DTXSID1044564	0	0	0	5.731707317	5.201698514	121.4430209	0.1669663	13.21251862	3.146969812	17.38998825	9.871272627
C3871996	3871-99-6	PFHS-K	DTXSID3037709	0	0	0	5.175117616	3.687150838	2.506307822	0.184035374	12.98893536	1.664127774	16.74117155	12.26561495
C3913028	3913-02-8	2-Butyloctan-1-ol	DTXSID0044818	0	0	0	6.979113602	2.026221692	1.396453452	0.086521563	46.13004681	4.288878033	13.3564231	26.35374132
C39236469	39236-46-9	Imidazolidinyl urea	DTXSID2040151	0	0	0	6.18556701	3.84850336	1.035106602	0.217069429	26.79376978	2.28735675	131.4655172	19.50601154
C3926623	3926-62-3	Sodium chloroacetate	DTXSID1027550	0	0	0	6.588235294	2.772643253	5.600555427	0.31469008	44.38603079	5.510390592	16.57298586	20.74823874
C39300453	39300-45-3	Dinocap	DTXSID3040352	9.980392157	13.06874022	72.69299464	68.80952381	78.79177378	20.07083289	0.23800296	8.553721242	1.392004543	120.3884633	113.3382532
C39515418	39515-41-8	Fenpropathrin	DTXSID0024002	0	0	0	14.92260062	12.95442908	8.467590858	0.428286733	27.37186478	2.125012266	94.8381877	106.5781162
C39905572	39905-57-2	4-Hexyloxyaniline	DTXSID4022288	0	0	0	7.194244604	11.28404669	10.91753775	0.267855348	11.71415914	13.97013326	63.24794766	9.627787105
C402910274	402910-27-4	UK-416244	DTXSID0047290	0	0	0	82.34042553	41.33685136	2.994164843	0.584962501	17.87462325	3.757088384	103.5703644	55.70327965
C40487421	40487-42-1	Pendimethalin	DTXSID7024245	-0.322161907	0	11.52755906	32.52747253	56.37426901	2.721425037	0.192067884	66.93823418	2.447959776	18.23496686	79.75349603
C40649363	40649-36-3	4-Propylcyclohexanone	DTXSID9048198	0	0	0	5.359877489	1.74563591	3.0138608	0.242177852	3.882337361	6.785944347	32.98228631	14.52729702
C4065456	4065-45-6	Sulisobenzone	DTXSID2042436	0	0	0	2.927927928	1.571268238	1.995155104	0.212922844	11.04869816	6.716582631	14.38600134	18.12707907
C4098719	4098-71-9	Isophorone diisocyanate	DTXSID0023826	16.86682063	0	0	3.569467326	1.237113402	2.836388793	0.607879438	15.45689701	4.828608702	13.76372276	12.28035336
C4107986	4107-98-6	"N,N-Diisopropylaniline"	DTXSID8042189	0	0	0	4.159343878	2.870813397	0.954817488	0.244608134	19.5661631	1.873541904	14.66668919	6.997002353
C41198087	41198-08-7	Profenofos	DTXSID3032464	0	0	26.710487	21.89349112	12.25868726	6.270033852	0.275604656	23.69708234	2.331707389	62.72443738	109.5944867
C4130421	4130-42-1	"2,6-Di-tert-butyl-4-ethylphenol"	DTXSID0029262	0	8.63994073	0	17.84386617	38.0387931	3.075380244	0.71930612	43.85270979	1.492209322	15.01611165	35.53843955
C41372081	41372-08-1	Methyldopa sesquihydrate	DTXSID5020863	0	0	0	4.772004242	3.472931563	4.278501196	0.344075787	10.70004054	1.658603246	79.39802553	14.55308826
C41372207	41372-20-7	Apomorphine hydrochloride hydrate	DTXSID0048185	0	0	0	12.83783784	35.80246914	6.200794025	0.239867543	14.89670944	5.846041245	106.8067721	96.0847565
C41481667	41481-66-7	"4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]"	DTXSID9047598	94.69889065	42.70773517	98.6989735	61.77836762	72.88135593	14.06560056	0.515826435	20.50328228	2.338940583	102.1479314	110.7072652
C4151502	4151-50-2	Sulfluramid	DTXSID1032646	0	0	0	27.06185567	33.01178992	3.394695788	0.459852796	10.46808027	4.672784439	25.5534137	21.1098714
C4180238	4180-23-8	(E)-Anethole	DTXSID9020087	0	0	0	7.936507937	6.803455724	9.37733571	0.078442575	12.05336237	3.579525875	21.50356993	7.739324065
C420042	420-04-2	Cyanamide	DTXSID9034490	0	0	0	10.06711409	3.657262278	3.68088033	0.100253968	17.08764546	2.92331598	81.37931034	9.638395846
C42509808	42509-80-8	Isazofos	DTXSID7034676	0	0	0	6.683168317	0.750144259	3.591117202	0.243227278	9.07472857	2.26176674	19.16325529	14.36108003
C427510	427-51-0	Cyproterone acetate	DTXSID5020366	157.1428571	99.33147199	87.45887362	76.57142857	103.5935564	224.9473684	0.021144986	25.99520173	114.9705758	105.3470194	107.0140351
C42874033	42874-03-3	Oxyfluorfen	DTXSID7024241	0	0	0	13.94799054	14.89600899	4.225940258	0.202982129	15.30937699	2.238091643	51.54150866	89.63619504
C4291638	4291-63-8	Cladribine	DTXSID8022828	0	0	0	4.903078677	6.169154229	3.482532451	0.566905439	9.983706488	25.14565576	20.36762299	11.98341607
C43121433	43121-43-3	Triadimefon	DTXSID3023897	90.75829653	33.09065312	15.33804238	5.679862306	3.249097473	11.82510765	0.170078881	12.56134645	2.500596516	33.71394634	54.95090135
C43222486	43222-48-6	Difenzoquat metilsulfate	DTXSID6024048	0	0	0	8.008658009	16.55104063	7.734268459	0.276977051	16.42228331	2.235042252	59.51282726	116.2650137
C4342363	4342-36-3	Tributyltin benzoate	DTXSID5034981	0	74.33045512	40.9922514	85.00286205	92.47648903	-2.473143948	0.207468592	176.3815819	1.357776848	100.1345299	110.9448818
C4344552	4344-55-2	4-Butyloxyaniline	DTXSID4048199	0	0	0	1.455604076	2.069781195	6.289664551	1.479203496	18.98445596	6.804564043	24.0473842	9.800486223
C4376185	4376-18-5	Monomethyl phthalate	DTXSID9040001	1.731845265	0	24.99189627	1.334881021	1.095290252	12.58278146	0.393138302	12.46690734	3.668156097	20.76763341	12.74535677
C4376209	4376-20-9	MEHP	DTXSID2025680	8.465062723	0	26.75964969	1.879455606	4.192286193	7.242668766	0.082539102	28.24298417	60.91656443	200.8859358	32.53564819
C439687691	439687-69-1	Nelivaptan	DTXSID7047358	0	34.19464606	0	43.63345765	42.8436019	72.42702252	0.535758503	35.1620771	1.481547386	110.9545687	97.37476706
C4418262	4418-26-2	Sodium dehydroacetate	DTXSID7026029	0	0	0	5.693753455	3.040935673	4.68709855	0.233293657	7.589058841	4.331345846	11.52244377	14.10091644
C4437858	4437-85-8	Butylene carbonate	DTXSID9040342	0	0	0	4.648526077	2.382406842	19.48365132	0.431254892	42.43816318	3.960511392	93.20803076	7.151128263
C444610917	444610-91-7	PharmaGSID_47315	DTXSID6047315	0	39.36714153	77.86178455	29.74296206	41.54535274	1.538058773	0.137503524	18.64212911	2.878095627	116.7641936	108.7012981
C4449518	4449-51-8	Cyclopamine	DTXSID6043709	0	0	0	9.536494406	8.815165877	2.402001668	0.297277631	15.30719228	3.060479827	7.447289631	68.51421268
C445295045	445295-04-5	CP-671305	DTXSID6047282	0	0	0	0.965360591	2.226720648	9.043736101	0.137503524	15.80647167	2.478034096	11.33514015	16.07580679
C4455269	4455-26-9	N-Methyldioctylamine	DTXSID9042209	0	0	0	4.39628483	1.587301587	15.13675534	0.238452051	23.33261293	3.131673068	11.72648639	23.34503646
C446720	446-72-0	Genistein	DTXSID5022308	30.08915305	8.688562493	25.31099264	3.192702395	3.254177661	18.53478391	0.333727604	20.93587927	18.13619651	108.0097087	19.58931896
C4468422	4468-42-2	3-Phenylhexane	DTXSID4041492	0	0	0	4.042179262	1.674641148	18.89381272	0.20622579	16.91345988	3.07450244	15.62356234	11.84319743
C446866	446-86-6	Azathioprine	DTXSID4020119	0	0	0	24.58654906	30.29394121	8.612410157	0.858601781	70.90592334	4.022813068	182.6470588	17.79137208
C451401	451-40-1	"1,2-Diphenylethanone"	DTXSID6044430	0	0	0	9.9626401	1.826753094	6.491110366	0.307600655	26.59254934	2.058629829	13.84402813	26.13587196
C4548532	4548-53-2	FD&C Red 4	DTXSID2021234	0	0	0	3.093987157	0.931315483	1.540386735	0.330121537	20.32074616	1.579300424	11.15123091	18.84607419
C4553622	4553-62-2	2-Methylpentanedinitrile	DTXSID4025612	0	0	0	2.619047619	4.370179949	1.533199134	0.208460507	17.92034154	2.762661481	14.65768955	11.78987331
C4574043	4574-04-3	"Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride"	DTXSID9041289	0	2.210613982	66.9728516	43.80733945	73.32521315	2.294792586	0.761647471	246.4306086	2.93937909	110.6877411	118.7962076
C460004	460-00-4	1-Bromo-4-fluorobenzene	DTXSID4027153	0	0	0	2.380952381	2.626756261	8.702744876	0.189413233	12.58451472	3.139420032	11.01273917	22.7480125
C460081996	460081-99-6	PharmaGSID_48510	DTXSID9048510	100.5148005	71.26692628	56.39366213	21.95121951	26.34116938	2.707345002	0.156576105	15.74257576	2.862642565	74.3381241	75.9044846
C4602840	4602-84-0	Farnesol	DTXSID3032389	0	15.69051021	0	25.84424535	83.05882353	5.489834951	0.584747318	15.86731083	1.532279732	90.97643984	32.39622559
C461023632	461023-63-2	Aplaviroc hydrochloride	DTXSID1047316	0	0	0	21.4973262	33.40206186	8.303504979	0	10.53955596	1.861395713	83.09283391	16.41557857
C461585	461-58-5	Cyanoguanidine	DTXSID1020354	0	0	0	1.690331305	2.378121284	28.96587206	0.190350908	17.48267382	2.449356499	132.6159866	21.33456943
C463401	463-40-1	Linolenic acid	DTXSID7025506	0	0	85.68443051	19.52191235	25.36973834	7.699511673	0.232186444	19.35918448	2.721524013	17.94757725	16.85540015
C4638486	4638-48-6	5-Chlorosalicylanilide	DTXSID9037749	0	0	0	9.331476323	15.53337492	13.90056476	0.265474335	27.36847858	6.07214013	103.9189391	110.5390968
C464493	464-49-3	D-Camphor	DTXSID4024721	0	0	0	4.824561404	4.767309875	5.543659291	0.136187673	20.77059725	2.230343547	98.32738997	9.070094985
C4707475	4707-47-5	"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"	DTXSID9041653	0	40.44009023	0	12.10277214	7.253269917	5.02486709	0.225102727	51.64409783	4.032671918	14.31600336	73.78984404
C470826	470-82-6	"1,8-Cineol"	DTXSID4020616	0	0	0	2.261904762	3.145336226	-0.138203356	0.08902566	22.57585402	2.623798201	107.0506455	11.80883258
C4712554	4712-55-4	Diphenyl phosphite	DTXSID7041889	0	0	0	1.809690601	2.095459837	1.05473289	0.1486649	26.02191319	2.258014859	24.36578171	11.69312639
C473289622	473289-62-2	Ilepatril	DTXSID7047356	0	0	0	6.433408578	1.386138614	2.604709314	0.533691888	10.94792938	3.674705295	30.3770992	18.8009177
C474862	474-86-2	Equilin	DTXSID7047433	86.0997547	59.64487423	16.59769113	45.0955414	66.85205784	48.90759504	0.243691659	31.81515089	86.21120518	120.4066666	62.97190538
C478149530	478149-53-0	PHA-00543613	DTXSID6047284	0	0	0	7.08915145	3.036336486	52.45496804	0.137503524	13.34640165	3.718974819	23.74211633	20.4663598
C478263988	478263-98-8	AVE3295	DTXSID5047372	0	0	0	7.284768212	19.00347625	3.456921571	0.566827161	25.48449447	3.985093304	63.3178923	74.02274386
C480400	480-40-0	Chrysin	DTXSID1022396	0	0	0	8.033573141	18.28793774	8.207510647	0.154790539	32.4703256	16.53633928	101.4279527	46.89339174
C480637	480-63-7	"2,4,6-Trimethylbenzoic acid"	DTXSID6048200	0	0	0	5.973025048	1.789976134	5.329873241	0.183702014	31.00210768	2.099932581	16.4954539	8.029713236
C484173	484-17-3	9-Phenanthrol	DTXSID9047592	48.24088748	65.9597704	79.12437324	86.65118979	77.21796276	6.450821683	0.298997059	13.57808365	1.407561753	127.708794	115.5928944
C486566	486-56-6	Cotinine	DTXSID1047576	0	0	0	4.004711425	2.48447205	2.391706457	0.242311147	11.8783572	4.19492217	16.19469027	10.34023442
C486668	486-66-8	Daidzein	DTXSID9022310	0	0	21.21179509	3.120759837	1.333333333	27.11170365	0.208536451	10.057147	32.15876868	67.84335185	51.47090851
C487069	487-06-9	"5,7-Dimethoxy-2H-chromen-2-one"	DTXSID1041421	0	0	0	3.200522534	1.802293829	6.103213844	0.133780114	151.7024834	5.072897131	54.20895578	44.38575085
C489010	489-01-0	"2,6-Di-tert-butyl-4-methoxyphenol"	DTXSID8041379	0	0	0	8.256880734	19.97563946	2.096965639	0.158975054	8.074150777	2.260863415	43.22494866	39.6007819
C4904614	4904-61-4	"1,5,9-Cyclododecatriene"	DTXSID8027581	0	0	0	1.960784314	2.630272953	13.92405063	0.695018307	15.26201751	3.239072539	14.01569298	24.87643795
C491805	491-80-5	Biochanin A	DTXSID1022394	0	0	0	14.92453885	25.27743527	14.80962859	0.231836989	20.89830807	20.46507578	115.5409127	8.062850469
C493527	493-52-7	Methyl red	DTXSID1042154	0	6.793293627	0	9.72972973	39.92848629	6.73116586	0.706268797	20.86106441	2.952634498	105.1148041	96.80725427
C4940118	4940-11-8	2-Ethyl-3-hydroxy-4H-pyran-4-one	DTXSID5041516	0	0	0	6.125574273	1.246882793	35.22912248	0.14003679	14.06310869	5.50044529	8.467660879	2.715456385
C49562289	49562-28-9	Fenofibrate	DTXSID2029874	0	0	0	9.90150337	45.87155963	8.48452508	0.170625237	7.366581157	5.004292626	88.25913032	77.60237779
C496468	496-46-8	Glycoluril	DTXSID6031380	0	0	0	1.710037175	1.805054152	1.879961008	0.132261648	11.45079974	3.241210164	14.84716157	19.96493691
C496720	496-72-0	"3,4-Diaminotoluene"	DTXSID9024930	0	0	0	14.26966292	19.72789116	5.116505869	0.270458034	14.11042945	22.06798194	27.0543435	15.90981948
C499752	499-75-2	Isopropyl-o-cresol	DTXSID6042074	0	26.28011923	0	1.477199743	2.863961814	7.226270087	0.110952592	13.20290574	1.53581504	22.45782694	15.46545025
C499832	499-83-2	"2,6-Pyridinedicarboxylic acid"	DTXSID7022043	0	0	0	3.299492386	1.902017291	4.894562746	0.203925712	10.27852063	1.760758632	6.35895293	10.19756812
C500389	500-38-9	Nordihydroguaiaretic acid	DTXSID5022437	0	0	108.0350343	67.01846966	65.33180778	-0.321572672	0.394466683	13.42624295	1.903381163	93.77895697	92.28892998
C501027492	501027-49-2	PD-0333941	DTXSID2047307	0	0	0	6.877729258	17.2381835	7.524429967	0.378511623	13.25086828	1.51316983	17.40634921	16.49857444
C50146	50-14-6	Ergocalciferol	DTXSID5020233	0	31.69648312	0	42.04244032	76.27520759	1.730425456	0.285154719	11.4408536	2.90509308	115.860086	94.82032593
C50215	50-21-5	Lactic acid	DTXSID7023192	0	0	0	3.160556258	2.771084337	5.267784015	-0.009148382	47.23865758	2.308674709	144.0337909	26.75211515
C50226	50-22-6	Corticosterone	DTXSID6022474	103.2418128	93.45563809	96.59293614	53.06748466	54.86631016	48.74743442	0.379625579	138.1387216	286.7660087	39.02576624	9.825348406
C50271	50-27-1	Estriol	DTXSID9022366	69.39381094	7.440772767	11.59375	20.541495	31.85362927	12.97403271	0.350474977	12.78767633	3.788476975	64.04410669	83.42100371
C50282	50-28-2	17beta-Estradiol	DTXSID0020573	90.79651429	92.0207949	68.76537758	63.50684932	61.53127918	105.2478134	1.397754061	93.48713761	119.4423893	111.930008	31.23002768
C50293	50-29-3	"p,p'-DDT"	DTXSID4020375	0	0	0	30.58690745	37.03529412	9.009373915	0.435149546	17.29306974	2.721920626	124.1310824	72.15883425
C50351	50-35-1	Thalidomide	DTXSID9022524	0	0	0	10.31847134	4.779756326	6.769702389	0.345121109	12.35179776	4.199398633	32.65993266	13.68936984
C50419	50-41-9	Clomiphene citrate (1:1)	DTXSID8020337	101.7532253	92.6703662	98.37843421	106.1516452	78.42669845	10.22904737	0.212393061	11.84384135	3.38190287	111.2759186	109.6592877
C50471448	50471-44-8	Vinclozolin	DTXSID4022361	60.89063719	14.01668608	18.5483871	38.0587484	47.89533561	34.16282026	0.18035922	19.89307974	26.45786913	79.72490709	78.05215138
C50555	50-55-5	Reserpine	DTXSID7021237	0	72.50478791	0	50.58043118	157.7777778	3.51991191	0.217495528	14.1499407	2.277515006	94.27344831	87.69301386
C50594666	50594-66-6	Acifluorfen	DTXSID0020022	0	0	0	3.434343434	3.691983122	6.099761081	0.385773378	6.272473032	3.072845795	62.55251367	27.02615609
C50657	50-65-7	Niclosamide	DTXSID7040362	0	0	0	9.875259875	56.11854685	4.434192673	0.622349372	8.764148184	12.03647885	108.2472532	110.5390678
C50704	50-70-4	D-Glucitol	DTXSID5023588	0	0	0	2.231668438	2.339181287	8.43268392	0.444569916	23.19414228	2.563480993	8.78002965	15.93222955
C50782	50-78-2	Aspirin	DTXSID5020108	0	0	0	2.38410596	3.46695558	6.844872488	0.222063976	7.474512882	7.761018149	13.50768789	15.98386741
C50817	50-81-7	L-Ascorbic acid	DTXSID5020106	0	0	0	0.557103064	2.183406114	2.279418572	0.171378551	15.76448666	1.710851669	20.92915426	31.82037736
C50892234	50892-23-4	Pirinixic acid	DTXSID4020290	0	0	0	10.91510474	7.88336933	47.38296645	0.347955481	10.11056514	2.051298408	12.36923747	8.301500214
C510156	510-15-6	Chlorobenzilate	DTXSID9020299	71.43473013	49.14831503	0	60.36228023	54.88151659	11.64303586	0.611225833	202.9691508	2.422948219	104.8248068	97.78911127
C51036	51-03-6	Piperonyl butoxide	DTXSID1021166	4.202109507	0	21.19688615	15.55806088	15.24032825	4.264032763	0.493137878	8.455908536	1.887041734	100.1187648	27.43817538
C51058	51-05-8	Procaine hydrochloride	DTXSID1044435	0	0	0	3.950953678	1.485714286	4.499601182	0.297423131	11.09149063	3.432740098	55.75501584	14.44562148
C5116949	5116-94-9	Monotridecyl phosphate	DTXSID0042169	0	0	121.4066608	8.505154639	21.686011	151.5881558	0.059476035	58.8973384	6.498778075	65.58540296	24.61290817
C51218	51-21-8	5-Fluorouracil	DTXSID2020634	0	0	0	5.36352801	1.652089407	6.303594235	0.150731436	36.68850311	5.633119615	30.81028627	27.43192135
C51218452	51218-45-2	Metolachlor	DTXSID4022448	21.38029326	0	15.35683942	7.352941176	6.938325991	5.545774648	0.286237632	11.14734707	1.489019691	53.11505323	59.95717293
C51229788	51229-78-8	Chloroallyl methenamine chloride	DTXSID0035748	31.11201962	72.86807248	0.675234154	37.43169399	79.9270073	7.09371995	0.116219274	13.95261006	2.29994094	9.085422546	43.91269473
C51235042	51235-04-2	Hexazinone	DTXSID4024145	0	0	0	3.539292142	30.39742213	7.865910717	0.703921176	15.97878582	4.612271508	15.4240349	13.88275041
C51241	51-24-1	Tiratricol	DTXSID2045232	0	0	43.33622748	2.830188679	2.494061758	7.468051118	0.05671156	20.139853	2.4124936	104.4316662	16.41275095
C512425	512-42-5	Sodium methyl sulfate	DTXSID0042406	0	0	0	2.397602398	1.6	11.33769474	0.106955355	30.87472514	6.41829932	14.00349843	16.45658115
C512561	512-56-1	Trimethyl phosphate	DTXSID1021403	0	0	0	2.435629784	3.819661866	2.363087269	0.177953233	10.8075446	2.495795262	15.67653257	15.32047144
C51285	51-28-5	"2,4-Dinitrophenol"	DTXSID0020523	0	0	0	8.424068768	12.15686275	7.8146174	0.071926779	22.78792333	2.492892518	72.94473068	88.55885258
C51309	51-30-9	Isoproterenol hydrochloride	DTXSID6025486	0	0.742895128	0	5.605095541	1.968134958	3.384851194	0.527118426	17.21668097	3.091987644	7.772263918	14.87829328
C51338273	51338-27-3	Diclofop-methyl	DTXSID0032605	0	0	16.79711017	19.61783439	17.57770632	13.73509507	0.411080473	18.96306111	2.528038107	33.8520362	18.60857375
C5137553	5137-55-3	Methyltrioctylammonium chloride	DTXSID1044487	0	90.80952276	33.79486043	56.45067134	47.0314319	1.543366207	0.891044843	224.556871	3.997328841	96.07278382	112.008787
C5138181	5138-18-1	Sulfosuccinic acid	DTXSID8042426	0	0	0	3.278688525	1.581508516	7.352614838	0.01116824	7.686267565	5.788283951	27.35696173	15.78180886
C5146667	5146-66-7	"3,7-Dimethyl-2,6-octadienenitrile"	DTXSID3036286	0	0	0	2.241594022	3.005303477	4.46159007	0.135275343	13.98088051	3.379753126	19.71899225	12.1173396
C51525	51-52-5	6-Propyl-2-thiouracil	DTXSID5021209	0	0	0	4.380475594	2.05371248	7.524333474	0.235812937	52.65993266	2.90651352	14.41319618	16.11330345
C5153253	5153-25-3	2-Ethylhexylparaben	DTXSID4022525	0	0	67.4637825	90.09404389	88.44002486	104.5764237	0.175147305	35.64276452	1.620288234	25.52891006	89.16331724
C51580860	51580-86-0	Sodium dichloro-s-triazinetrione dihydrate	DTXSID0029761	0	0	0	3.316326531	0.410557185	3.202304304	0.233784367	17.13429	2.301585968	15.63830896	16.51588051
C51630581	51630-58-1	Fenvalerate	DTXSID3020621	0	0	0	5.313496281	2.923976608	11.06426287	0.185004222	73.64139179	2.656948074	78.27898551	34.86019478
C51632167	51632-16-7	1-(Bromomethyl)-3-phenoxybenzene	DTXSID6028022	0	33.4880749	0	1.012658228	1.148105626	27.93229386	0.18203572	19.34666113	2.160045288	36.21071726	68.64703801
C51707552	51707-55-2	Thidiazuron	DTXSID0032651	0	0	0	3.554376658	5.915813424	77.10156754	0.217189765	10.69805865	4.068886246	75.80193086	102.4610765
C51796	51-79-6	Urethane	DTXSID9021427	0	0	0	3.614457831	3.558535327	12.78569063	0.648565209	9.75863504	3.634282695	13.6571867	20.3005367
C52017	52-01-7	Spironolactone	DTXSID6034186	202.7777778	78.72243833	96.05229754	62.86681716	57.08235294	54.52998563	0.142698456	160.1649485	55.97384918	83.72889653	69.95959682
C520183	520-18-3	Kaempferol	DTXSID7020768	0	0	0	17.13836478	12.11401425	12.45839277	0.189943985	10.92393058	3.165788573	66.36050743	62.78578533
C520365	520-36-5	Apigenin	DTXSID6022391	0	98.9959334	0	8.152866242	27.14126808	9.026182	0.203253178	115.4748392	11.69272127	100.3538817	86.43019185
C520456	520-45-6	Dehydroacetic acid	DTXSID6020014	0	0	0	4.055766793	4.810996564	3.548426796	0.491945485	11.37385535	2.639366708	10.74918867	10.39689536
C521186	521-18-6	5alpha-Dihydrotestosterone	DTXSID9022364	97.03648671	101.9159582	88.29850746	116.4899882	110.031348	148.2188498	4.095858715	131.4730101	125.6393929	40.74976036	41.46868691
C5216251	5216-25-1	4-Chlorobenzotrichloride	DTXSID2027593	0	0	0	9.845201238	3.225806452	3.784188835	0.048861582	12.58825372	2.964689705	38.59223301	37.39929765
C52225204	52225-20-4	dl-alpha-Tocopheryl acetate	DTXSID3021356	0	0	0	2.74566474	2.726146221	9.989074784	0.294019093	17.15306342	3.880888755	283.3005894	13.78117649
C52315078	52315-07-8	Cypermethrin	DTXSID1023998	20.79424755	0	24.06632805	1.528013582	7.995735608	19.60916442	0.521232483	20.48065068	2.822593207	40.81420483	8.424539623
C5234684	5234-68-4	Carboxin	DTXSID0023951	0	0	0	11.79487179	6.946107784	12.1349096	0.543965346	16.89351481	4.681963823	38.25133986	21.42864192
C52517	52-51-7	Bronopol	DTXSID8024652	0	0	0	66.40079761	98.7012987	7.732864675	0.626327822	48.46374689	5.632244432	88.99826288	30.5453531
C525791	525-79-1	Kinetin	DTXSID9035175	0	0	0	3.157894737	5.620608899	4.922910468	0.251223208	144.3321144	3.529199805	30.38732394	17.685993
C525826	525-82-6	Flavone	DTXSID2022048	0	0	0	9.924623116	17.17963067	14.3098252	0.548814993	291.7692743	6.039540939	79.09707489	85.66490696
C52645531	52645-53-1	Permethrin	DTXSID8022292	10.83882143	0	18.44094488	15.26908636	15.95576619	43.72125829	0.310712381	10.01640533	4.280511114	74.05731523	4.569090296
C526750	526-75-0	"2,3-Dimethylphenol"	DTXSID6025143	0	0	0	1.64765526	2.06185567	1.214259343	0.339169912	67.26670805	2.345471839	11.27021112	20.66467427
C52686	52-68-6	Trichlorfon	DTXSID0021389	0	0	0	1.368301026	9.950248756	0.869947035	0.445025808	28.43307873	2.224501402	277.3159145	15.23374098
C527606	527-60-6	"2,4,6-Trimethylphenol"	DTXSID7022049	0	0	0	1.430274136	3.595724004	8.94909688	0.414675695	32.50615574	2.44553206	52.30054222	5.635497206
C527680564	527680-56-4	PHA-00568487	DTXSID1047285	0	0	0	1.573033708	3.741496599	12.2287625	0.263034406	27.21744601	1.960831133	23.477536	22.77069464
C52806538	52806-53-8	Hydroxyflutamide	DTXSID8033562	132.5396825	97.99287878	80.47952254	70.19498607	83.05807139	38.87973336	0.494160709	29.75103799	36.53775617	84.97985847	108.9626037
C528290	528-29-0	"1,2-Dinitrobenzene"	DTXSID4024066	0	27.94876502	0	33.04812834	56.43979058	2.293264344	0.309728151	12.30199689	1.973843573	90.08908686	114.7677773
C52868	52-86-8	Haloperidol	DTXSID4034150	0	0	0	27.76595745	15.91908531	14.26695842	0.60909864	109.6164262	2.453297781	17.38872404	109.8053555
C52918635	52918-63-5	Deltamethrin	DTXSID8020381	0	0	0	6.077348066	3.655660377	8.697157697	0.157890086	21.04867045	12.74621005	11.97071577	37.45941065
C53032	53-03-2	Prednisone	DTXSID4021185	89.39949958	56.37515457	0	13.85258756	13.74301676	22.47603028	0.445586563	85.12527751	45.4354957	38.60460284	15.00951437
C53112280	53112-28-0	Pyrimethanil	DTXSID8034877	0	0	0	8.415841584	3.866128102	3.915034105	0.306034448	11.86003513	3.211581781	14.25934472	39.47730789
C5315797	5315-79-7	1-Hydroxypyrene	DTXSID1038298	0	57.70518804	0	30.1843318	46.08904934	3.241599572	0.056269532	18.78948013	1.602780813	11.28499257	79.78438746
C53167	53-16-7	Estrone	DTXSID4022367	93.28835227	35.00782243	8.62220272	29.83070636	33.99301513	79.75211682	0.244494906	20.51955884	44.21431589	73.00742326	51.91817105
C53190	53-19-0	"o,p'-DDD"	DTXSID9020372	0	0	0	63.85911179	111.0972569	2.027326987	0.502760751	32.1663484	3.434923849	66.15528801	80.35919676
C532025	532-02-5	Sodium 2-naphthalenesulfonate	DTXSID4041442	0	0	0	2.620087336	1.005322295	7.422937443	0.36500758	123.53695	3.663086634	6.967818326	12.74809101
C53219219	53219-21-9	Dihydromyrcenol	DTXSID6041557	0	0	0	1.032258065	5.644171779	11.00074497	0.142531151	14.54301655	2.123016426	17.56316463	23.61088837
C532274	532-27-4	2-Chloroacetophenone	DTXSID9020293	0	0	0	42.32015554	56.40022359	2.80456603	0.067574312	42.77326107	1.955845062	10.37586413	68.55650895
C532321	532-32-1	Sodium benzoate	DTXSID1020140	0	0	0	6.246418338	2.659875495	4.539043467	0.188155739	34.6873664	3.428634507	11.79545826	12.78553702
C5329146	5329-14-6	Sulfamic acid	DTXSID6034005	0	0	0	3.693570451	2.901785714	8.920367534	0.113643657	27.83251232	1.828329023	12.27364231	15.99004034
C533233	533-23-3	"2,4-D-ethyl ester"	DTXSID1041346	0	0	0	3.056234719	2.867830424	2.965036973	0.24009496	47.67041872	4.05392203	17.05504549	9.951969242
C5333426	5333-42-6	2-Octyl-1-dodecanol	DTXSID3036288	0	0	0	1.641586867	3.794642857	10.29862175	0.163634842	9.752317286	5.181928192	34.10965551	11.50257557
C533744	533-74-4	Dazomet	DTXSID7024902	0	0	0	18.47475832	55.40069686	4.198140616	0.168847387	19.39908956	3.668186627	127.3125723	112.4086445
C534134	534-13-4	"N,N'-Dimethylthiourea"	DTXSID2042191	0	0	0	1.904761905	0.771208226	10.23293124	0.184424571	43.27364476	1.320282898	12.48049922	27.25740962
C53430	53-43-0	Dehydroepiandrosterone	DTXSID4020379	0	91.93580442	45.16732974	25.92592593	71.51741294	17.93879152	0.5055169	17.95727527	15.06682534	103.1696453	72.31890932
C534521	534-52-1	"2-Methyl-4,6-dinitrophenol"	DTXSID1022053	0	0	11.66806804	10.0179964	30.6122449	5.344856058	0.563251503	17.68146631	1.801587984	104.8227629	115.3923847
C5349519	5349-51-9	4-(2-Methylbutan-2-yl)cyclohexanol	DTXSID9040716	0	58.64596169	2.276664192	4.632152589	0.571428571	6.656376616	0.12501624	8.068558235	3.308078119	15.38719963	18.52073972
C53703	53-70-3	"Dibenz(a,h)anthracene"	DTXSID9020409	0	9.092146534	0	2.275600506	3.734939759	7.329351365	0.28867772	160.9925405	29.2268016	10.61167748	21.64526778
C53861	53-86-1	Indomethacin	DTXSID9020740	0	0	0	3.420752566	2.214650767	3.840803709	0.283685563	10.69625901	2.153300361	27.41790176	9.602830164
C53894238	53894-23-8	Triisononyl trimellitate	DTXSID5028033	0	0	0	5.052878966	2.125398512	3.416354419	0.44002913	17.80668831	4.942824482	33.88177666	8.564500189
C5392405	5392-40-5	"3,7-Dimethyl-2,6-octadienal"	DTXSID6024836	11.4026641	0	0	12.74725275	12.51461988	5.677057562	0.472262368	16.23437777	2.843445112	11.51596149	11.02397968
C53939289	53939-28-9	(Z)-11-Hexadecenal	DTXSID1032303	0	0	0	8.723958333	2.951191827	9.074177356	0.29380377	12.45085396	3.813908297	13.7953445	11.66544642
C5394365	5394-36-5	5-Ethyl-5-methylhydantoin	DTXSID9041368	0	0	0	1.072555205	0.551132884	0.814697539	0.15306273	14.14529954	2.338358505	15.8757025	20.46358462
C540181	540-18-1	Pentyl butyrate	DTXSID4041604	0	0	0	3.384207034	2.465423933	4.098752554	0.205180549	21.96789064	4.065523069	21.0716242	30.03145035
C5407987	5407-98-7	Cyclobutyl phenyl ketone	DTXSID1048201	0	0	0	2.038216561	1.112347052	2.918239293	0.153479207	28.6696797	2.29232613	13.86217949	13.4620761
C540885	540-88-5	tert-Butyl acetate	DTXSID1022055	0	0	0	4.979496192	3.349282297	98.65076827	0.106161364	28.11884199	2.978888402	11.61466488	10.0756666
C541026	541-02-6	Decamethylcyclopentasiloxane	DTXSID1027184	0	28.2150974	0	2.69005848	2.677165354	11.53031235	0.674787453	391.6842307	3.473226845	24.0024176	20.40937618
C54115	54-11-5	Nicotine	DTXSID1020930	0	0	0	2.325581395	3.023516237	10.89731003	0.417190455	79.38213462	6.036348052	19.73267539	5.298455205
C541731	541-73-1	"1,3-Dichlorobenzene"	DTXSID6022056	0	0	0	2.570379437	1.343784994	5.870803063	0.331018831	24.032974	2.024056958	9.878501192	108.5533819
C542927	542-92-7	"1,3-Cyclopentadiene"	DTXSID0027191	0	0	0	2.049180328	1.581508516	7.655891708	0.300874621	25.20776521	2.19627823	14.82295863	39.27992252
C5437456	5437-45-6	Benzyl bromoacetate	DTXSID4040343	0	0	0	2.320441989	2.476415094	225.520127	0.379990552	22.07402047	4.896210022	8.833979328	16.83401405
C544638	544-63-8	Tetradecanoic acid	DTXSID6021666	0	0	0	4.918032787	3.284671533	15.52629632	0.280050924	19.84512015	2.981827471	27.17573034	10.07608638
C544763	544-76-3	Hexadecane	DTXSID0027195	0	0	0	4.725274725	4.210526316	2.457529276	0.449905809	12.97446253	2.290872291	13.77316287	20.18444795
C54593838	54593-83-8	Chlorethoxyfos	DTXSID2032344	0	0	0	15.20618557	25.08038585	6.72698908	0.242234712	16.80370604	2.042048233	16.63694985	37.63700514
C54626	54-62-6	4-Aminofolic acid	DTXSID3022588	0	0	0	5.952380952	8.919722498	3.915838691	0.391963116	22.69917332	1.759348604	20.74761326	31.82171662
C54853	54-85-3	Isoniazid	DTXSID8020755	0	0	0	7.489514679	1.601325235	13.70720334	0.168271483	11.45972534	2.729479942	17.67633859	12.08488789
C548629	548-62-9	Gentian Violet	DTXSID5020653	0	95.41238866	82.23064694	41.02844639	49.00542495	-1.290839491	0.518666821	96.28542135	2.208893553	109.9317901	112.643154
C54965241	54965-24-1	Tamoxifen citrate	DTXSID8021301	0	73.05421456	0	76.74129353	103.8043478	2.772908367	0.741996794	115.5120405	3.173800792	108.2092027	109.7998286
C550447	550-44-7	N-Methylphthalimide	DTXSID5027198	0	0	0	1.64765526	4.352806415	1.156828158	0.264115342	55.09954773	73.99883592	108.5717828	78.92013982
C55185	55-18-5	N-Nitrosodiethylamine	DTXSID2021028	0	0	0	3.414634146	3.290870488	4.989885367	0.623263943	12.49609726	2.090758131	28.47895207	26.14774026
C55219653	55219-65-3	Triadimenol	DTXSID0032493	65.79582687	43.6967564	25.68881686	17.63157895	14.09001957	1.761796827	0.334518135	36.91612127	10.00458289	243.4108527	108.7161644
C552307	552-30-7	Trimellitic anhydride	DTXSID7026235	0	0	0	7.182883342	1.907032181	8.43888537	0.156141653	15.82415344	3.56043888	19.98890567	11.86566705
C55283686	55283-68-6	Ethalfluralin	DTXSID8032386	20.44371017	16.5403158	0	32.69230769	31.01796407	6.710709318	0.099443338	49.51059283	1.595697315	10.82876923	68.11439113
C55285148	55285-14-8	Carbosulfan	DTXSID5023950	0	0	0	81.71557562	34.05940594	5.480308398	-0.030900087	6.765732072	3.957559353	93.25202174	46.55811035
C55290647	55290-64-7	Dimethipin	DTXSID0024052	0	0	0	3.877790834	18.17215728	8.124311219	0.143530585	15.93437677	1.714687798	6.97270583	43.20833006
C553264	553-26-4	"4,4'-Bipyridine"	DTXSID2027200	0	0	0	2.222222222	3.164556962	9.064313228	0.250557552	11.91262345	2.400010914	18.22414008	12.33448915
C55335063	55335-06-3	Triclopyr	DTXSID0032497	0	0	0	2.819237148	5.263157895	3.850247752	0.050298679	158.3732057	17.74832396	54.7224927	28.10188183
C5536618	5536-61-8	Sodium methacrylate	DTXSID9044823	0	0	0	12.7348643	2.303030303	1.765175719	0.165275825	12.08245609	2.44569101	9.941982139	16.48957508
C553708	553-70-8	Magnesium dibenzoate	DTXSID1044693	0	0	0	1.734820322	1.724137931	6.986461641	0.363974162	14.62483582	4.148203567	12.94649865	68.66375251
C55389	55-38-9	Fenthion	DTXSID8020620	69.18874555	0	0	17.53812636	8.387096774	28.62392813	0.498135671	25.58342421	2.809943316	195.8432304	74.39437478
C55406536	55406-53-6	3-Iodo-2-propynyl-N-butylcarbamate	DTXSID0028038	0	0	0	80.62770563	63.03270565	4.071692967	0.079748184	15.21829556	3.961549553	126.2996087	118.6620943
C55512339	55512-33-9	Pyridate	DTXSID2032639	0	0	0	-0.128865979	2.138057422	10.37854673	0.43982149	22.93394516	6.71201258	20.58869472	20.90080268
C55589623	55589-62-3	Acesulfame potassium	DTXSID1030606	0	0	0	1.933216169	1.794258373	2.27054685	0.028566393	17.98845248	2.46813283	15.66317	13.95775092
C556525	556-52-5	Glycidol	DTXSID4020666	0	0	0	1.146788991	6.205381658	8.873290137	0.003167279	17.47901574	2.10373754	8.129418162	15.52106019
C556616	556-61-6	Methyl isothiocyanate	DTXSID2027204	6.544666608	0	44.48494453	4.694323144	3.892493049	8.078175896	0.246200886	26.15149787	3.139177429	14.00399073	15.88722455
C556672	556-67-2	Octamethylcyclotetrasiloxane	DTXSID7027205	0	0	0	4.290822408	3.109815355	2.234993614	0.175011248	11.67305678	3.313113846	27.08210459	18.63420034
C55814410	55814-41-0	Mepronil	DTXSID1037565	0	16.69249568	0	2.752293578	2.801461632	3.947408467	0.227800286	18.1540599	4.069204257	65.78031985	20.88233139
C55934935	55934-93-5	Tripropylene glycol butyl ether	DTXSID8042503	0	0	0	2.435629784	2.567313713	29.11049535	0.11134343	8.103805737	1.978768455	12.0841593	17.07318293
C55981	55-98-1	Busulfan	DTXSID3020910	0	0	0	1.709401709	2.051835853	4.018858161	0.436920617	18.82352941	3.32021375	30.75528701	12.04826947
C5598130	5598-13-0	Chlorpyrifos-methyl	DTXSID6032352	0	0	0	7.013574661	4.405286344	1.637323944	0.522050569	23.02298403	2.662417928	45.00155715	16.5297835
C5598152	5598-15-2	Chlorpyrifos oxon	DTXSID1038666	0	0	0	16.92307692	59.88023952	7.267037552	0.356718679	14.55231705	9.379979842	87.90285948	13.71989712
C56042	56-04-2	6-Methyl-2-thiouracil	DTXSID2020890	0	0	0	4.826732673	3.635314484	3.616033887	0.501016675	18.85423046	4.210613164	19.88915157	19.28315986
C563122	563-12-2	Ethion	DTXSID2024086	22.26476093	0	0	14.22295442	10.6185567	2.9678312	0.442957585	9.248334762	2.274969693	73.20648386	61.56026438
C56375792	56375-79-2	"N,N-Dibutyl-N-methylbutan-1-aminium chloride"	DTXSID5044443	0	0	0	1.120632828	1.814058957	5.37599125	0.255806622	18.27250654	1.99268106	12.67568601	13.34962684
C56382	56-38-2	Parathion	DTXSID7021100	78.33032447	0	8.370967742	11.53629713	2.996670366	5.158238255	0.259997255	36.63690408	8.349006562	25.13270718	71.7198515
C56531	56-53-1	Diethylstilbestrol	DTXSID3020465	37.00475436	81.84505146	51.5807709	65.31196337	73.1661442	2.813120112	0.344788096	15.31927464	1.711019144	116.9517949	112.0397988
C56553	56-55-3	Benz(a)anthracene	DTXSID5023902	44.77020602	0	12.5025939	3.291139241	3.490508267	9.46382883	0.209605029	15.02037167	22.39559308	6.612958909	40.62779589
C56724	56-72-4	Coumaphos	DTXSID2020347	10.01550025	0	0	13.93939394	33.33333333	6.44107465	0.075984365	10.37706747	2.230954065	94.3306081	87.45702644
C56815	56-81-5	Glycerol	DTXSID9020663	0	0	0	3.57615894	2.491874323	3.071102157	0.221340419	24.92997199	2.586874854	40.5875475	9.785307288
C56951	56-95-1	Chlorhexidine diacetate	DTXSID7032345	0	75.41467602	54.55306678	29.17771883	52.1945433	0.700750804	0.314217064	131.6706083	4.300430426	108.480221	110.644561
C5700492	5700-49-2	"1,2-Ethanediamine dihydriodide"	DTXSID5044570	0	0	0	4.304869442	3.089036947	7.803030303	0.510998337	21.5039274	2.702282675	17.85131418	19.03302784
C57067	57-06-7	Allyl isothiocyanate	DTXSID3020047	0	0	0	9.165526676	2.008928571	10.4517611	0.007737832	27.74146696	3.140978042	112.1436114	16.00833548
C57090	57-09-0	Hexadecyltrimethylammonium bromide	DTXSID5037028	0	0	0	72.87705957	79.26689576	-0.689174222	0.658629252	113.692598	2.206249452	95.12939808	106.2670052
C57103	57-10-3	Hexadecanoic acid	DTXSID2021602	0	0	0	4.883227176	7.103218646	14.97744361	0.497062441	24.73728129	2.599491467	25.86809197	18.17170643
C57114	57-11-4	Octadecanoic acid	DTXSID8021642	0	0	0	11.6836429	5.356156819	4.42999141	0.653079712	170.6999457	2.411533022	17.72524647	15.28390131
C57136	57-13-6	Urea	DTXSID4021426	7.434627882	0	0	9.822485207	2.50965251	3.166471945	0.148453715	109.1642626	1.685417608	58.3081571	110.4816279
C57147	57-14-7	"1,1-Dimethylhydrazine"	DTXSID1020516	0	0	0	2.570863546	8.038585209	5.474639537	0.186035109	24.10775586	2.953963419	16.15211464	24.22774867
C571584	571-58-4	"1,4-Dimethylnaphthalene"	DTXSID8035423	0	0	0	4.278728606	2.992518703	5.413166774	0.331097836	23.02434857	3.548478728	5.52955158	20.29809501
C57307	57-30-7	Phenobarbital sodium	DTXSID0021123	0	0	0	7.692307692	4.910179641	18.74130737	0.462583084	17.53735152	2.84317362	14.74506727	6.87403391
C57410	57-41-0	"5,5-Diphenylhydantoin"	DTXSID8020541	0	0	0	6.079196877	3.606557377	4.02336952	0.628401762	9.538308863	1.503051746	176.6033254	10.20346102
C57501	57-50-1	Sucrose	DTXSID2021288	0	0	0	10.87912088	8.070175439	7.590301831	0.217348983	16.95644835	2.74997478	119.7568389	19.84405356
C57556	57-55-6	"1,2-Propylene glycol"	DTXSID0021206	0	0	0	2.141680395	5.360824742	4.818401937	0.228570996	17.25702611	1.924394901	43.42182891	15.06296594
C576261	576-26-1	"2,6-Dimethylphenol"	DTXSID9024063	0	0	0	1.410105758	4.782146652	6.537359489	0.255604872	16.49929803	1.86033511	8.977139449	6.891854826
C57636	57-63-6	17alpha-Ethinylestradiol	DTXSID5020576	78.00794985	79.0331547	82.1950216	53.47938144	28.33985467	31.28784372	0.166166923	33.60849217	21.24524471	109.8723139	90.96114764
C577117	577-11-7	Docusate sodium	DTXSID8022959	0	40.58712144	96.87601061	26.53295129	25.49019608	2.177251784	0.515869071	107.5886799	3.653842365	51.76366843	15.6624837
C57749	57-74-9	Chlordane	DTXSID7020267	0	0	0	73.2041049	59.7955707	2.326120556	0.699919867	137.6327473	2.804604591	95.58264931	97.58798854
C57754855	57754-85-5	Clopyralid-olamine	DTXSID6034265	0	0	0	0.899820036	2.255639098	2.438487367	0.060502173	28.05495222	2.535061152	18.03947333	11.65800967
C57830	57-83-0	Progesterone	DTXSID3022370	97.90808241	97.7862825	87.42966464	43.0875576	95.0877193	90.85150363	0.788802165	167.7168495	88.69251573	120.7287666	108.8109991
C57837191	57837-19-1	Metalaxyl	DTXSID6024175	12.28914307	0	9.410767274	6.892778993	5.967450271	132.368913	0.156358872	42.8819176	1.637165186	97.53424658	17.56708629
C57852	57-85-2	Testosterone propionate	DTXSID9036515	104.0031708	86.89986341	94.93937144	105.62249	99.61127308	149.1570541	3.36436144	211.4878893	139.1299993	104.5139241	5.284301534
C57910	57-91-0	17alpha-Estradiol	DTXSID8022377	119.0298507	96.70541722	75.95433464	66.11374408	84.10311493	124.1618813	1.427973725	92.49102892	118.7196906	82.64230156	93.30482925
C579668	579-66-8	"2,6-Diethylaniline"	DTXSID6027218	0	0	0	11.80851064	5.10114336	4.387308534	0.233547641	15.00173187	3.193970347	13.32153975	8.050890309
C57966957	57966-95-7	Cymoxanil	DTXSID6032358	12.7769986	0	0	7.100591716	4.150579151	2.08801414	0.232594458	21.05937633	2.783558916	17.13681166	14.59921224
C57976	57-97-6	"7,12-Dimethylbenz(a)anthracene"	DTXSID1020510	0	15.29405944	0	34.63892289	56.10302352	3.017213168	0.530570121	39.53132853	3.460223046	108.248632	110.3250548
C58082	58-08-2	Caffeine	DTXSID0020232	0	0	0	4.04777704	3.813559322	3.163301039	0.295938148	14.92798499	2.659270473	15.47536869	89.97009367
C58140	58-14-0	Pyrimethamine	DTXSID9021217	0	0	0	5.634674923	5.47875064	23.26714125	0.754199358	17.33613352	2.50853071	40.48956888	110.2474548
C58184	58-18-4	17-Methyltestosterone	DTXSID1033664	97.12729074	97.44345877	41.43283582	111.9503946	111.6060961	137.9378156	3.678071905	178.4227382	119.7821645	85.28963415	57.71118847
C583788	583-78-8	"2,5-Dichlorophenol"	DTXSID7025003	0	0	0	0.884955752	2.409638554	1.332427735	0.435038699	25.68917299	2.659254633	10.06753748	8.150100018
C58394642	58394-64-2	Benzyloctyl adipate	DTXSID1047528	0	13.53756356	0	2.508551881	1.306076093	3.570324575	0.21449304	18.38302884	4.831542056	29.00968367	26.32529897
C584134	584-13-4	"4-Amino-1,2,4-triazole"	DTXSID9033058	0	0	0	6.277056277	3.666997027	10.73446328	0.357780182	25.48625084	4.558111724	17.65326103	12.60134172
C58430947	58430-94-7	"3,5,5-Trimethylhexyl acetate"	DTXSID0041270	0	0	0	4.359673025	1.257142857	13.68648243	0.083617028	29.86851316	3.18389734	28.05929919	52.03627459
C584792	584-79-2	Allethrin	DTXSID8035180	0	20.55762562	0	35.59681698	38.11149033	0.496189737	0.413372757	337.0892019	130.9183696	226.7391304	119.9671098
C584849	584-84-9	"Toluene-2,4-diisocyanate"	DTXSID7026156	0	0	0	4.601425794	4.527669089	1.092304664	0.606506381	20.98167077	3.16864227	8.675945184	12.90030904
C5850862	5850-86-2	"C.I. Acid Orange 8, monosodium salt"	DTXSID2041709	0	0	73.02114804	2.911392405	1.818181818	23.5330503	0.253940205	24.74514967	2.662702189	9.688709422	25.97215287
C585342	585-34-2	3-tert-Butylphenol	DTXSID9044825	0	10.39548191	0	5.421293272	0.491534681	4.352080758	0.319447715	30.08186138	2.868638911	9.291911391	13.62477304
C58559	58-55-9	Theophylline	DTXSID5021336	0	0	0	7.725093234	1.327014218	166.0717264	0.367928616	27.06033614	4.180133499	8.879276089	11.14034066
C58560	58-56-0	Pyridoxine hydrochloride	DTXSID1040792	0	0	0	8.552263835	3.699136868	32.29312529	0.218832076	9.332318014	2.75454614	32.7137506	15.36685546
C586629	586-62-9	Terpinolene	DTXSID0027222	0	0.604522219	0	3.040935673	1.942257218	4.141890506	0.642595363	18.33930001	1.969504997	20.9275834	19.73994851
C5870939	5870-93-9	Heptyl butanoate	DTXSID0042038	0	0	0	1.369863014	0.937866354	2.404429612	0.200113749	22.80091401	3.666262735	12.32858822	20.45269805
C58720	58-72-0	Triphenylethylene	DTXSID3022320	0	0	0	33.8995046	84.79467259	4.646616541	0.322176906	14.4587727	3.28211969	11.93382435	60.69172083
C587655	587-65-5	2-Chloro-N-phenylacetamide	DTXSID3041409	0	8.528883456	0	49.65299685	99.75505205	1.537040702	0.154622973	40.0116144	2.002449351	108.4708813	115.5052626
C5877429	5877-42-9	4-Ethyloct-1-yn-3-ol	DTXSID1044697	0	0	0	65.18404908	27.77777778	14.32815356	0.068838323	24.4486692	2.347375344	12.30288724	5.74778085
C587859	587-85-9	Diphenylmercury(II)	DTXSID3042130	0	0	0	30.59418458	57.34939759	1.999640424	0.27807641	13.21485141	2.427589984	82.82350968	53.65269869
C58846778	58846-77-8	Decyl beta-D-glucopyranoside	DTXSID2041208	0	5.245987268	0	24.26564496	6.343283582	12.38294533	0.709804816	12.45234381	1.43136257	48.53234864	25.70087814
C58855	58-85-5	Biotin	DTXSID7022679	0	0	0	2.902675014	1.478953356	7.498829353	0.256987984	43.91645415	2.383854001	68.35443038	11.06968679
C58866	58-86-6	D-Xylose	DTXSID0023745	0	0	0	1.487778959	1.754385965	30.22681012	0.203604779	21.4274844	2.346882572	9.119949107	16.86731567
C588941451	588941-45-1	PharmaGSID_48506	DTXSID5048506	91.49502841	42.68022465	31.16296575	14.14285714	36.02896801	2.738835763	0.416061903	19.24535835	5.72817206	95.8707479	115.9283859
C58899	58-89-9	Lindane	DTXSID2020686	0	0	0	10.8988764	17.23356009	0.059210755	0.217305176	12.30145728	2.226359244	14.25367249	14.52477003
C58935	58-93-5	Hydrochlorothiazide	DTXSID2020713	0	0	0	3.863134658	1.853997683	2.237639745	0.306623674	23.85708799	2.620916428	72.2280887	10.75882719
C589684	589-68-4	"Tetradecanoic acid, 2,3-dihydroxypropyl ester"	DTXSID0042454	0	0	0	8.771929825	6.583427923	1.974779919	0.207260059	19.00983905	4.99127668	41.69237325	21.26305271
C5902512	5902-51-2	Terbacil	DTXSID8024317	0	0	0	2.502979738	1.943634597	2.937420179	0.20293797	46.5303472	3.097492689	14.68215608	12.94803858
C59052	59-05-2	Methotrexate	DTXSID4020822	20.55833333	0.538979755	10.43467289	4.347826087	12.25740552	4.087164496	0.365324032	7.48015269	2.489406742	135.6514085	39.58755356
C5915413	5915-41-3	Terbuthylazine	DTXSID4027608	0	0	0	4.847801578	1.758499414	3.673813539	0.44115337	10.65216957	2.733541804	61.59149027	18.31907193
C59227893	59227-89-3	Laurocapram	DTXSID0042086	0	0	0	76.93351425	67.48251748	2.219617333	0.260545907	23.58673016	4.996011406	82.08879736	96.71391553
C59303	59-30-3	Folic acid	DTXSID0022519	0	10.35734699	0	9.131905299	4.68933177	1.059985546	0.292397791	12.81043215	2.480264782	52.01320684	17.30578948
C59405	59-40-5	Sulfaquinoxaline	DTXSID8042424	0	0	0	3.327495622	1.746216531	1.010040819	0.157639214	21.49369806	135.8014562	91.62132753	9.511515512
C594207	594-20-7	"2,2-Dichloropropane"	DTXSID7030060	0	0	0	4.54845089	1.993569132	4.215765205	0.548820931	14.05712432	3.819019167	15.99250618	16.05470265
C59507	59-50-7	4-Chloro-3-methylphenol	DTXSID4021717	0	0	0	7.96265788	5.051546392	2.144586648	0.258068153	20.44837133	2.218659744	85.62945368	25.11382081
C59669260	59669-26-0	Thiodicarb	DTXSID0032578	0	0	0	59.72141613	87.62322015	20.97130243	0.086457697	14.85188981	4.713101507	107.720269	109.5590464
C59676	59-67-6	Nicotinic acid	DTXSID1020932	0	0	0	4.804045512	2.409638554	1.54417787	0.282332209	67.60209424	2.92827874	55.5438226	16.25853862
C59756604	59756-60-4	Fluridone	DTXSID8024107	0	0	0	9.677419355	9.275053305	37.87061995	0.411273618	7.365647409	2.367227548	51.22926235	15.80210589
C598550	598-55-0	Methyl carbamate	DTXSID8020834	0	0	27.49477534	2.588235294	2.895871842	17.47280722	0.065657044	11.84694913	3.705150222	7.822685789	25.60278558
C59870	59-87-0	Nitrofurazone	DTXSID5020944	38.81414268	0	0	4.029692471	8.886618999	3.438745682	0.945503817	8.602350264	50.46139198	212.2327791	24.52810091
C599644	599-64-4	4-Cumylphenol	DTXSID3022536	72.23559621	43.1053385	67.26712957	69.59064327	92.51533742	6.415031868	0.12717124	39.76002675	1.393063325	84.12588514	102.2938733
C599791	599-79-1	Sulfasalazine	DTXSID0021256	62.92464218	27.36611814	0	4.189044039	3.135888502	1.641487507	0.503622275	26.45521954	2.625622969	121.228106	16.21321907
C60093	60-09-3	4-Aminoazobenzene	DTXSID6024460	0	0	0	7.032181168	19.43634597	2.873563218	0.710423473	28.61144458	23.48353202	358.789547	58.22061899
C60128	60-12-8	2-Phenylethanol	DTXSID9026342	0	0	0	2.911208151	1.833234772	3.388485947	0.472430078	17.15254264	3.427471153	31.66953528	25.74806097
C60168889	60168-88-9	Fenarimol	DTXSID2032390	0	13.43351253	0	22.3054755	39.77505112	5.475107936	0.479547432	28.04618701	1.490928502	71.95462874	104.4807375
C602017	602-01-7	"2,3-Dinitrotoluene"	DTXSID4027236	0	35.60626877	0	5.664488017	14.83870968	19.06900776	0.47775793	93.37367361	87.18147764	102.3315296	82.31109298
C60207901	60207-90-1	Propiconazole	DTXSID8024280	54.83107664	43.48464755	35.03671971	29.95391705	97.71359807	3.815334009	0.487631882	17.80204856	2.415458131	107.7606954	111.9138524
C60333	60-33-3	Linoleic acid	DTXSID2025505	0	51.91326634	95.77059345	7.088607595	26.63101604	13.92301853	0.178268409	13.69157223	4.3552869	47.81144781	11.77711411
C603350	603-35-0	Triphenylphosphine	DTXSID5026251	0	0	0	8.243243243	14.06436234	2.358720516	0.424687669	3.96336068	1.177247381	27.45329237	26.31841417
C60355	60-35-5	Acetamide	DTXSID7020005	0	0	0	3.791821561	7.41599073	15.53878188	0.168158251	21.64234019	6.518574487	9.728812713	19.86578461
C604751	604-75-1	Oxazepam	DTXSID1021087	0	81.10201109	0	54.22535211	52.09580838	28.5486815	0.265089527	11.89103109	42.26140911	39.33896027	50.1741943
C60515	60-51-5	Dimethoate	DTXSID7020479	8.030223494	0	21.81762546	7.912087912	4.210526316	6.277420419	0.250043567	32.06267646	1.892230712	8.418036075	16.26528731
C605458	605-45-8	Diisopropyl phthalate	DTXSID2040731	0	0	0	6.86482661	2.330743618	9.984962406	0.145901306	17.36046607	2.371067371	10.78845544	19.4944882
C60548	60-54-8	Tetracycline	DTXSID7023645	0	26.65187687	56.85832394	10.87248322	3.448275862	5.551581843	0.504830455	28.50567646	5.983301129	12.5652809	25.15542198
C6055192	6055-19-2	Cyclophosphamide monohydrate	DTXSID6024888	0	0	0	4.157303371	8.049886621	6.579359827	0.633205033	13.55914428	1.838656086	29.39424032	22.68063905
C60560	60-56-0	Methimazole	DTXSID4020820	0	0	0	8.577878104	4.188235294	41.45932184	0.298437475	5.741870683	1.626217558	13.96361148	21.74380653
C60571	60-57-1	Dieldrin	DTXSID9020453	0	0	0	48.24207493	46.21676892	3.687005693	0.426543517	69.31457741	4.587230998	87.39405861	104.1739413
C606202	606-20-2	"2,6-Dinitrotoluene"	DTXSID5020528	0	18.59030034	0	7.872340426	3.430079156	2.939460248	0.198634853	19.72591778	1.417778519	19.3368939	14.75059474
C6088513	6088-51-3	6-Hydroxy-2-naphthyl disulfide	DTXSID7025429	0	50.28123505	0	37.13949382	78.40431914	3.129144483	0.302642181	11.19758007	2.444045705	115.2304325	106.1897214
C609541	609-54-1	"2,5-Dimethylbenzenesulfonic acid"	DTXSID5041641	0	0	0	1.772151899	2.985074627	4.923444304	0.139331269	49.78118162	7.507220721	10.23200743	18.27122797
C611201	611-20-1	2-Hydroxybenzonitrile	DTXSID3041661	0	0	0	24.69352014	26.6589057	39.88320472	0.060369803	13.9249452	3.313911535	6.953369605	23.54826767
C611701	611-70-1	Isopropyl phenyl ketone	DTXSID6048202	0	0	0	3.354914656	5.458908218	2.298806389	0.217690367	18.58974359	7.377258271	11.84040711	11.13630152
C612828	612-82-8	"3,3'-Dimethylbenzidine dihydrochloride"	DTXSID6020511	0	77.30682472	0	13.87856258	11.09913793	18.95370216	1.665509639	4.225352113	2.638630237	66.15128504	87.86071802
C614459	614-45-9	tert-Butyl perbenzoate	DTXSID9024699	0	0	0	45.61797753	47.61904762	19.89133085	0.040785615	17.97842589	3.870567457	12.93574129	18.41480849
C6149037	6149-03-7	Sodium 4-octylbenzenesulfonate	DTXSID9047594	0	0	96.68008048	10.49046322	9.714285714	9.21972505	0.031975158	68.27947691	2.698175611	28.27244227	22.93362458
C6152336	6152-33-6	Sodium 2-phenylphenate tetrahydrate	DTXSID1040794	0	47.33194797	46.63196571	5.057803468	18.95910781	3.356826118	0.269492291	20.49642156	1.850783401	66.42039196	34.64227169
C6153646	6153-64-6	Oxytetracycline dihydrate	DTXSID4023412	0	86.49573338	0	12.56097561	14.64968153	2.663519892	0.2903687	19.89423618	3.483774387	79.20560748	8.707597362
C616455	616-45-5	2-Pyrrolidinone	DTXSID8027246	0	0	0	3.239145417	0.30284676	15.98935226	0.509543246	21.26494545	3.971461108	12.90884881	13.69736885
C61734	61-73-4	Methylene blue	DTXSID0023296	0	52.80427273	0	51.46299484	95.30685921	9.470648432	0.131062926	33.95327497	19.17841919	112.4396232	110.9069072
C61791126	61791-12-6	Cremophor EL	DTXSID2047696	0	0	0	4.981412639	3.85078219	9.989323678	0.115672242	7.560449137	6.221859374	34.14799558	21.89370779
C61825	61-82-5	Amitrole	DTXSID0020076	0	0	0	2.627166015	1.479654747	29.25251717	0.157178523	24.46002274	3.017754446	40.0929512	23.6531272
C618451	618-45-1	3-Isopropylphenol	DTXSID0044571	0	0	0	4.383561644	2.813599062	2.798847087	0.211035588	30.79393613	1.827916793	16.01294765	20.81777399
C6190654	6190-65-4	Deethylatrazine	DTXSID5037494	0	0	0	1.63141994	0.737379467	8.855874976	0.43690968	9.44668664	3.629471668	9.992399218	8.03416571
C620177	620-17-7	3-Ethylphenol	DTXSID0022480	0	0	0	0.253807107	3.285302594	7.675211908	0.262624184	19.51702262	2.418625851	12.33786129	24.1636424
C621647	621-64-7	N-Nitrosodipropylamine	DTXSID6021032	0	0	0	5.952380952	2.081268583	1.694915254	0.566031866	8.489760996	3.138332116	131.5259922	19.13280229
C62237	62-23-7	4-Nitrobenzoic acid	DTXSID3020966	0	0	0	0.88865656	3.016759777	5.473507149	0.314801233	7.910775607	2.372694716	12.3464222	15.67764489
C622979	622-97-9	4-Methylstyrene	DTXSID3020889	0	0	0	0.126742712	1.832760596	167.25602	0.363452283	17.02644779	2.336428313	11.51012835	11.48406825
C62384	62-38-4	Phenylmercuric acetate	DTXSID7021150	82.15530903	37.35777983	0	75.12893983	86.75721562	1.448903706	0.103380232	181.2298246	3.47471654	96.0593207	114.2358569
C625114412	625114-41-2	Piragliatin	DTXSID3048520	0	0	39.89475562	1.618578466	1.678657074	8.942005523	0.106253205	13.68481827	3.332252825	13.860122	28.69950187
C625558	625-55-8	Isopropyl formate	DTXSID2027258	0	0	0	5.102040816	2.138057422	7.653025037	0.145626336	32.59525613	7.363433898	111.1192443	23.88590028
C62566	62-56-6	Thiourea	DTXSID9021348	0	0	0	9.52681388	2.265768524	2.12744904	0.45579726	41.39825692	3.736824319	6.520406018	16.34058275
C6259763	6259-76-3	Hexyl salicylate	DTXSID4038924	0	0	0	2.167630058	4.213135068	2.247166942	0.350128974	23.42191518	6.700164428	9.847391469	14.62126195
C626437	626-43-7	"3,5-Dichloroaniline"	DTXSID7030307	0	0	0	4.22125182	4.198698995	2.912511333	0.127711674	13.22673535	3.936880342	13.47397137	17.71840668
C627189	627-18-9	3-Bromo-1-propanol	DTXSID3024657	0	0	0	2.442428472	3.943496174	4.986812243	0.095342103	80.98607764	48.39696908	112.0280475	28.35353723
C62737	62-73-7	Dichlorvos	DTXSID5020449	12.18614434	0	27.29172887	6.751298327	2.621722846	6.764898018	0.277866231	14.88375232	2.036527967	14.02798853	8.849163641
C62748	62-74-8	Sodium fluoroacetate	DTXSID8024311	0	7.127727017	0	2.339181287	5.675368899	2.200808946	0.291513322	33.2572075	3.930659088	11.79279801	16.01644887
C62759	62-75-9	N-Nitrosodimethylamine	DTXSID7021029	0	0	0	6.325515281	3.980404164	25.12721967	0.252855695	14.26020897	2.718441494	9.94277219	12.26559814
C627930	627-93-0	Dimethyl adipate	DTXSID8025096	0	0	0	5.679862306	2.939659618	9.638953296	0.319488623	38.98956086	3.989995356	17.0339174	13.17597449
C6285058	6285-05-8	Ethyl 4-chlorophenyl ketone	DTXSID1048203	0	0	0	1.133786848	1.405009163	11.93701681	0.379230332	29.94379152	7.260806096	16.19298943	13.63743146
C628637	628-63-7	Pentyl acetate	DTXSID1027263	0	0	0	4.322766571	5.623721881	2.731822871	0.296717532	61.43017653	2.276009581	10.00366679	16.92467093
C62924703	62924-70-3	Flumetralin	DTXSID7032553	0	0	0	20.75702076	21.27429806	8.319438855	0.167048241	11.97012716	1.658097547	80.06190091	69.44681616
C629629	629-62-9	Pentadecane	DTXSID6027268	0	0	0	3.638368247	4.859028194	13.09437871	0.427057082	17.71079099	1.770378588	16.25318066	8.621719153
C629765	629-76-5	1-Pentadecanol	DTXSID0027270	0	0	0	7.413695529	5.330490405	11.99460916	0.375119826	13.90281527	6.396082639	19.50333565	25.01076515
C630568	630-56-8	Hydroxyprogesterone caproate	DTXSID6043915	0	58.25215354	0	57.5255102	124.6540881	3.319522664	0.400887011	43.65190905	29.38463715	117.3900825	113.2322435
C63058	63-05-8	"4-Androstene-3,17-dione"	DTXSID8024523	85.45279383	98.22933278	80.40105037	76.35687732	92.54079254	129.7590865	3.510828466	199.8903909	122.6113094	71.13620338	53.92011137
C6317186	6317-18-6	Methylene bis(thiocyanate)	DTXSID8025599	0	0	0	97.24770642	108.7863811	8.063354932	0.196909148	36.30706863	1.551315254	115.638372	115.3956784
C63252	63-25-2	Carbaryl	DTXSID9020247	9.666744578	0	11.06074343	13.43434343	18.14345992	2.364815447	0.078609835	23.96035337	6.123083673	125.0593824	32.54979499
C633965	633-96-5	C.I. Acid Orange 7	DTXSID0038881	0	0	85.07887818	1.030927835	1.893708002	4.745001947	0.28818223	26.09046835	3.669183846	12.6674357	22.47194774
C63423	63-42-3	Lactose	DTXSID2023193	0	0	0	6.432748538	1.929625426	6.68570069	0.118842049	12.4925834	2.091969371	20.2450685	11.85908815
C6344678	6344-67-8	3-Hydroxyfluorene	DTXSID9047540	82.10315696	86.10484454	0	25.98930481	34.32989691	9.380869688	0.635196803	13.09523229	5.575032016	46.41446304	83.68630819
C63449412	63449-41-2	Benzyl-C8-18-alkyldimethylammonium chlorides	DTXSID1048122	0	0	0	90.23746702	68.0778032	1.759548585	0.075130114	175.9073988	2.366021648	115.5463414	112.0716668
C6359826	6359-82-6	Acid Yellow 11	DTXSID5047451	0	8.802833072	18.64728192	0	0.688863375	73.43025706	1.601637737	9.85593243	4.852303866	13.03448276	12.11927812
C6359906	6359-90-6	"C.I. Acid Yellow 34, monosodium salt"	DTXSID0041646	0	0	0	2.864259029	3.241013553	19.84233479	0.032747864	24.66394401	2.775721689	13.71581465	23.00519277
C6359984	6359-98-4	"C.I. Acid Yellow 17, disodium salt"	DTXSID6041719	0	0	0	2.394366197	2.395209581	3.600139811	0.10488314	16.6294706	2.633840134	15.80911345	25.09316877
C63612500	63612-50-0	Nilutamide	DTXSID3034165	88.82725832	93.02987996	69.51891296	58.24742268	70.80024435	16.32811963	0.410161278	40.44114579	1.184232818	99.39884792	96.30213441
C636215	636-21-5	2-Methylaniline hydrochloride	DTXSID7021364	0	0	0	3.544303797	2.755453502	1.201011378	0.173595357	12.22223093	2.243866149	21.08035675	23.69977919
C637070	637-07-0	Clofibrate	DTXSID3020336	0	0	0	2.516556291	2.166847237	5.233158076	0.360101824	13.10243847	2.132481965	12.51734595	11.12744856
C6381777	6381-77-7	Sodium erythorbate (1:1)	DTXSID5020570	0	0	0	7.120743034	5.99078341	8.280254777	0.612847565	46.01750547	51.49628052	14.14089347	18.97230038
C64108	64-10-8	1-Phenylurea	DTXSID8042507	0	0	0	1.447277739	0.545124167	6.654835847	0.246258973	27.41220399	2.045431414	15.76041488	16.68359505
C64197	64-19-7	Acetic acid	DTXSID5024394	0	0	0	3.285714286	4.405552203	3.90864358	0.312221955	11.39087126	2.179257977	20.15650839	22.89975862
C6422862	6422-86-2	Bis(2-ethylhexyl) terephthalate	DTXSID7027625	0	0	0	8.235294118	3.711340206	6.162951412	0.446198431	27.35802469	2.941529019	18.88468102	14.91745753
C64359815	64359-81-5	"4,5-Dichloro-2-octyl-3(2H)-isothiazolone"	DTXSID5032315	0	0	0	93.57045144	80.58035714	2.603369066	0.224549222	102.8636488	7.052961862	91.46475288	110.2892029
C643798	643-79-8	"1,2-Benzenedicarboxaldehyde"	DTXSID6032514	0	30.1357721	0	35.69868996	37.07136237	8.436482085	0.41219475	61.70170267	2.537296193	116.564362	101.5413635
C644973	644-97-3	Phenyl phosphorus dichloride	DTXSID4027282	0	3.814865907	0	19.69380654	3.03030303	10.34345048	0.705707983	13.75839402	2.566367702	14.75815638	12.37964229
C645567	645-56-7	4-Propylphenol	DTXSID9022100	0	19.59574687	0	5.484693878	0.64516129	6.845137242	0.151592984	14.28781235	2.37234964	18.46563077	25.7263515
C645625	645-62-5	2-Ethyl-2-hexenal	DTXSID4025296	0	0	0	3.82848392	2.992518703	73.69407586	0.224925688	16.32064749	2.067058797	16.15227796	51.13527702
C6459945	6459-94-5	C.I. Acid Red 114	DTXSID8021224	0	104.3006455	80.96463023	5.895821408	2.972651605	3.79881477	0.094981819	11.53106983	2.209248591	46.93158148	65.76359223
C64675	64-67-5	Diethyl sulfate	DTXSID1024045	0	0	0	9.230769231	8.383233533	9.422809458	0.167636165	17.07798916	2.772836743	20.26336174	18.43558297
C64700567	64700-56-7	Triclopyr-butotyl	DTXSID5032579	0	0	0	2.452316076	0.914285714	3.354760006	0.253637319	188.2035845	3.153936113	12.79198448	13.47558661
C647427	647-42-7	"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"	DTXSID5044572	0	0	0	5.909351692	3.04280557	6.359721762	0.493114745	48.28491998	2.951643193	14.62199313	10.51018167
C6485401	6485-40-1	R-(-)-Carvone	DTXSID7041413	0	0	0	10.52072264	1.637426901	30.93922652	0.137238695	44.12878944	3.640482544	10.34795258	89.30573657
C64868	64-86-8	Colchicine	DTXSID5024845	0	0	0	29.72972973	56.40535373	7.321573948	0.759508163	45.76505885	3.222953386	46.50520156	13.95626857
C648917139	648917-13-9	AVE2865	DTXSID5047376	0	0	0	10.20895522	2.860286029	8.568630651	0.211374756	12.3884161	2.344264856	18.84780183	23.96698006
C650511	650-51-1	Sodium trichloroacetate	DTXSID6034924	0	0	0	2.322308234	2.517985612	3.494905247	0.12988854	19.1974646	1.196643538	13.71018828	24.66932136
C65236	65-23-6	Pyridoxine	DTXSID4023541	0	0	0	2.487562189	4.02173913	8.09561753	0.237727506	7.57477626	14.31142964	74.61274619	10.52549332
C65277421	65277-42-1	Ketoconazole	DTXSID7029879	0	0	0	69.19402985	65.34653465	3.035743431	0.006893698	56.67248025	3.472903122	92.61201692	118.7639832
C654055013	654055-01-3	Morin hydrate	DTXSID3040776	0	84.49973953	0	2.963473467	11.05882353	9.626691223	0.335549727	72.42703533	3.824297781	30.51128647	12.87815663
C65452	65-45-2	Salicylamide	DTXSID3021726	0	0	0	4.556354916	3.112840467	9.407665505	0.149017442	9.282724114	1.996194862	42.25472674	16.86906207
C657841	657-84-1	Sodium 4-methylbenzenesulfonate	DTXSID9042415	0	0	0	3.215926493	2.493765586	4.33581611	0.190906891	28.37582112	4.171824191	14.11685477	15.07998987
C65850	65-85-0	Benzoic acid	DTXSID6020143	0	0	0	5.572198922	5.466593043	3.644618972	0.274174963	16.47966869	4.386833629	16.38449448	18.5506867
C6610293	6610-29-3	N-Methylhydrazinecarbothioamide	DTXSID7044390	0	0	0	1.919504644	0.702576112	20.85474709	0.267615055	21.63635439	2.528794946	100.5185029	72.74001886
C66215278	66215-27-8	Cyromazine	DTXSID6023999	0	0	0	5.443234837	3.77166157	4.286730701	0.090365676	16.74115366	3.49854364	18.89414131	2.613774169
C66230044	66230-04-4	Esfenvalerate	DTXSID4032667	15.55673565	0	23.67670365	4.809286899	5.14619883	4.019086071	0.258163957	12.04518354	3.260788026	22.20297205	44.13983419
C6624733	6624-73-3	"Pentane-1,5-diyl dibenzoate"	DTXSID5047538	0	0	0	10.39473684	5.577299413	7.819905213	0.272788374	13.24117277	2.187918787	10.53061173	14.85276206
C6625463	6625-46-3	"C.I. Acid Violet 12, disodium salt"	DTXSID6041715	0	0	0	1.647989453	2.122186495	5.599063163	0.292418213	17.44592445	4.027930223	9.288672635	42.05039618
C66273	66-27-3	Methyl methanesulfonate	DTXSID7020845	0	0	0	2.637614679	1.482701812	8.693304536	0.071144073	13.74224068	2.671862293	18.23503887	15.76525341
C66332965	66332-96-5	Flutolanil	DTXSID8024109	8.943558223	0	25.29133858	3.311258278	12.16685979	1.585066374	0.336172389	91.96619932	43.81592353	264.8277811	110.652456
C66357355	66357-35-5	Ranitidine	DTXSID8045191	0	0	0	1.844605925	1.726263872	205.1143562	0.116254103	7.755363125	4.979318758	22.94897466	18.26826574
C66441234	66441-23-4	Fenoxaprop-ethyl	DTXSID2032392	2.786560618	0	0	19.58762887	18.75669882	3.407176287	0.042337393	28.13262315	1.998728191	40.87879871	16.71948099
C66456539	66456-53-9	"Adipic acid, polypropyleneglycol, laurate"	DTXSID6047527	0	13.34054986	0	3.571428571	4.332129964	2.117080074	1.204187369	35.94835529	5.816164914	26.09260061	16.38505242
C66575299	66575-29-9	Forskolin	DTXSID8040484	0	0	0	8.680310515	3.089036947	16.89393939	0.276807255	28.60133264	2.583811504	56.5466602	88.27126893
C66717	66-71-7	"1,10-Phenanthroline"	DTXSID1025857	0	0	0	3.146374829	6.25	10.52833078	0.256805006	19.4561132	3.70573833	112.9533527	89.83122603
C66819	66-81-9	Cycloheximide	DTXSID6024882	0	5.903031211	15.41130843	52.22381636	41.68618267	40.36479634	0.415353706	23.74565729	1.489229268	111.6981956	108.1133237
C6683198	6683-19-8	Irganox 1010	DTXSID1027633	0	0	0	2.842035691	1.832760596	4.850631352	0.31594744	13.9323803	2.386229396	17.41201905	24.17607889
C668981020	668981-02-0	CP-863187	DTXSID0047294	0	0	0	3.502352326	1.675977654	1.759461733	0.137503524	10.02476184	3.616811017	59.14844233	10.93792302
C6706598	6706-59-8	L-Glucitol	DTXSID4042096	0	9.362119787	0	4.028021016	1.280558789	1.897923308	0.574441756	21.56235724	3.322276887	10.91874487	9.893251255
C67209	67-20-9	Nitrofurantoin	DTXSID7020972	0	0	0	4.585987261	11.34020619	6.20768936	0.319574869	11.33245367	2.774939795	99.57299779	94.28211094
C6728263	6728-26-3	(2E)-2-Hexenal	DTXSID1041425	0	0	0	1.256281407	0.615556799	8.788426763	0.079636116	28.24844709	2.872358532	18.55067636	13.94661843
C67301	67-30-1	Tetrac	DTXSID5048186	0	0	0	5.046197584	13.41090018	3.500793231	-0.000142552	21.19618126	2.793875997	39.46574509	11.21133397
C6734801	6734-80-1	Metam-sodium hydrate	DTXSID2040361	0	0	29.05691057	17.7508269	10.90712743	27.15322503	0.259452365	23.90631049	2.630871512	15.33286615	10.22274216
C67485294	67485-29-4	Hydramethylnon	DTXSID6023868	0	30.82113546	0	119.5954488	92.77108434	5.655326714	0.089368943	187.9977354	2.558028411	101.4208513	111.3255552
C67564914	67564-91-4	"(2R,6S)-Fenpropimorph"	DTXSID4034601	0	0	0	110.94265	80.45016077	137.3124497	0.468329081	21.37458527	3.418614734	14.33148534	21.83372994
C676116044	676116-04-4	PD 0343701	DTXSID7047271	0	0	0	69.83957219	50.36649215	2.252610182	0.263034406	32.10759171	1.068916342	137.3683287	119.1675672
C67685	67-68-5	Dimethyl sulfoxide	DTXSID2021735	0	0	0	1.222493888	4.239401496	3.352717352	0.210363184	40.29467623	2.888799622	7.934971834	20.11778404
C67747095	67747-09-5	Prochloraz	DTXSID4024270	66.729308	59.28369233	30.43662569	33.74805599	116.2079511	9.409462825	0.208826292	5.504391246	2.923339328	99.72144847	113.4342859
C67786145	67786-14-5	Acid Red 337	DTXSID2044713	0	0	74.47221025	5.378973105	1.620947631	2.239931079	0.175759866	17.07224335	2.180560229	10.88184357	13.48138253
C678397	678-39-7	"1,1,2,2-Tetrahydroperfluoro-1-decanol"	DTXSID7029904	0	0	0	8.328340324	2.595251242	117.204565	0.306202115	56.18867894	2.338428466	20.01157448	7.341598004
C6789884	6789-88-4	Hexyl benzoate	DTXSID9025403	0	0	0	2.870533099	2.990430622	140.1510652	0.180078384	12.28337146	3.580664396	16.63472407	14.79900993
C68111	68-11-1	Thioglycolic acid	DTXSID8026141	0	0	0	1.5625	0.681044268	11.70663692	0.324958293	19.3385671	3.258318322	13.5836194	25.55018223
C68122	68-12-2	"N,N-Dimethylformamide"	DTXSID6020515	23.80035307	0	0	2.488151659	2.059732235	31.80033651	0.080591365	21.64865946	2.627300155	9.075967846	11.30965267
C68157608	68157-60-8	Forchlorfenuron	DTXSID1034634	38.83296967	0	0	21.48997135	14.41176471	5.754810733	0.403093076	7.899829663	2.786221601	112.0641984	112.9681684
C68169039	68169-03-9	(Dicyclopentadienyloxy)ethyl methacrylate	DTXSID5041302	0	0	0	13.28767123	6.213364596	7.622876214	0.23106869	10.54178201	3.18972677	14.11048264	22.10058862
C682019	682-01-9	Tetrapropyl orthosilicate	DTXSID9042382	0	0	0	3.93081761	2.375296912	3.17403709	0.13156383	18.46257599	3.668300812	8.650283994	26.27048107
C68224	68-22-4	Norethindrone	DTXSID9023380	93.94611727	87.51998342	101.0915002	98.00235018	101.2081274	123.415493	2.391449406	83.12412831	93.42072136	79.05907322	20.42293242
C68268	68-26-8	Retinol	DTXSID3023556	0	0	0	49.24029263	42.84128746	3.179943839	0.379263223	11.79802634	2.575666512	96.39005491	84.2873998
C683181	683-18-1	Dibutyltin dichloride	DTXSID8027292	0	66.43294608	40.4245283	108.3014049	114.3034826	13.3873921	0.72106	154.1363625	1.163120038	116.7031683	108.2544892
C68359375	68359-37-5	Cyfluthrin	DTXSID5035957	2.964938562	0	32	14.87179487	5.628742515	11.26564673	0.167614841	16.35081532	2.134620315	34.42186405	38.06499399
C68392358	68392-35-8	4-Hydroxytamoxifen	DTXSID3037094	103.2014157	32.14106022	67.62057878	89.41344778	92.02586207	0	0.394411546	125.0329723	2.447768672	111.7163457	112.122723
C6846500	6846-50-0	"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"	DTXSID1027635	0	0	0	8.510638298	3.204047218	3.045572228	0.379710563	13.59147202	1.778075298	47.10241589	15.22942268
C684935	684-93-5	N-Nitroso-N-methylurea	DTXSID4021006	0	0	0	32.77027027	1.795735129	3.711055784	0.050408396	6.899324698	2.599824062	60.02168424	28.30784523
C68515480	68515-48-0	DINP branched	DTXSID5028665	0	0	0	6.880733945	5.359317905	4.251757616	0.323404209	21.103249	4.743971919	39.74684164	22.82874796
C68515491	68515-49-1	"1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich"	DTXSID0028666	0	0	0	5.25198939	10.12514221	9.596072599	0.227696603	14.53536425	5.663277229	72.47591989	13.08154434
C68515753	68515-75-3	"Hexanedioic acid, di-C7-9-branched and linear alkyl esters"	DTXSID2047517	0	0	0	4	1.472392638	2.938498469	-0.000115448	11.94883145	4.708309722	17.3040562	14.23766088
C68555862	68555-86-2	Acid Orange 156	DTXSID7044718	0	56.58904885	95.66286609	14.93276716	4.99445061	11.33834586	0.222518713	15.83202691	7.355696478	12.91927435	36.41047245
C68609972	68609-97-2	C12-14-Alkyl glycidyl ether	DTXSID7028774	0	0	0	10.20408163	13.71069182	3.001959957	0.301213485	9.453507237	3.43799067	20.48436736	16.05278943
C686756876	686756-87-6	PharmaGSID_48519	DTXSID4048519	0	12.97233442	0	97.15707178	88.12002449	0.914558201	0.619748282	17.67912773	2.557934986	112.9459583	109.398826
C68694111	68694-11-1	Triflumizole	DTXSID2032500	65.65346672	43.36864273	0	76.85290764	54.12935323	10.80435797	0.384908416	361.2051299	2.12896718	85.93805591	114.4479135
C68917180	68917-18-0	Cornmint oil	DTXSID3047712	0	0	0	4.047619048	2.603036876	1.37709773	0.379331569	20.27143559	3.15592768	10.66354425	9.015897519
C6893023	6893-02-3	"3,5,3'-Triiodothyronine"	DTXSID8023216	0	9.341577095	49.55930959	3.639010189	2.777777778	1.491274458	0.601738213	11.42733	2.798113469	14.34290611	19.73809557
C68959206	68959-20-6	Disiquonium chloride	DTXSID5035589	0	0	0	80.87431694	71.04622871	1.183519491	0.101664318	132.0857125	2.064987583	14.75818514	80.28634675
C68962	68-96-2	17alpha-Hydroxyprogesterone	DTXSID6040747	103.2897344	69.42284085	14.04551201	41.06789717	51.42503098	46.57916325	0.463589849	137.29417	64.34759855	27.56519436	37.13405398
C69090	69-09-0	Chlorpromazine hydrochloride	DTXSID7024827	0	0	0	58.19148936	56.2005277	3.176513494	0.304600011	156.0186989	2.974779576	83.69718991	112.4513515
C6915157	6915-15-7	Malic acid	DTXSID0027640	0	0	0	5.128205128	5.988023952	6.293463143	0.427560354	9.517712335	3.462808415	9.702460766	13.81236084
C6923224	6923-22-4	Monocrotophos	DTXSID9034816	0	0	0	2.419354839	2.166064982	5.720132341	0.213149155	72.65107212	2.298490287	9.582663707	11.22819811
C692864	692-86-4	Ethyl undec-10-enoate	DTXSID4044828	0	0	0	5.660377358	2.137767221	17.71279125	0.460352328	14.71870527	4.143999068	48.42855017	11.97417735
C69327760	69327-76-0	Buprofezin	DTXSID8034401	0	0	0	44.07582938	93.40885685	9.534492428	0.237301461	5.878436129	225.6421805	122.1084382	102.9431716
C69377817	69377-81-7	Fluroxypyr	DTXSID2034627	0	0	0	2.425578831	0.419916017	3.910737265	0.22926882	11.55157261	2.299934405	12.97136407	18.36024577
C695067	695-06-7	gamma-Caprolactone	DTXSID8041298	0	0	0	1.187335092	1.945080092	162.5822892	0.10259033	23.27313711	2.939169637	10.43144767	14.55417468
C69655056	69655-05-6	"2',3'-Dideoxyinosine"	DTXSID6022927	0	0	0	4.846335697	2.529510961	2.650260293	0.562062099	9.902350806	2.092764577	98.49170437	11.30302934
C69658	69-65-8	D-Mannitol	DTXSID1023235	0	0	0	5.882352941	1.780104712	2.322831008	0.198667386	11.681367	3.156954043	26.20801399	16.13204004
C69727	69-72-7	Salicylic acid	DTXSID7026368	0	9.743685383	0	2.619047619	0.976138829	1.495557749	1.104256583	18.22624895	1.609968482	73.36873959	6.194843763
C69749	69-74-9	Cytarabine hydrochloride	DTXSID5024891	0	0	0	3.19210679	4.709748083	13.12239392	0.420706249	19.37044177	4.730202297	47.59847791	9.066089688
C69806402	69806-40-2	Haloxyfop-methyl	DTXSID6024123	0	0	0	10.15831135	9.153318078	2.530109517	0.23247272	14.01798454	1.855441495	72.959166	13.08100646
C69806504	69806-50-4	Fluazifop-butyl	DTXSID3034612	9.188904956	0	19.52573158	9.563294638	10.99415205	4.261332355	0.283661056	8.881404289	1.701054661	50.53432528	12.6994755
C7011838	7011-83-8	Dihydrojasmone lactone	DTXSID3041299	0	0	0	3.018625562	3.341288783	4.341750674	0.282100244	9.23957759	1.154248273	15.21841922	32.44573394
C70553	70-55-3	4-Toluenesulfonamide	DTXSID8029105	0	0	0	2.022756005	0.722891566	0.97684732	0.205310254	25.65859927	3.367717265	15.3653354	9.584302629
C705602	705-60-2	(2-Nitro-1-propenyl)benzene	DTXSID1041188	0	0	0	50.40540541	65.19666269	3.296208797	0.011531837	26.56956197	1.284209536	121.6069597	115.5498042
C70568604	70568-60-4	4-Butylcyclohexanol	DTXSID6048204	0	0	0	1.27388535	-0.111234705	3.194465942	0.076094155	31.69231102	3.390263585	25.1886164	14.64908036
C706149	706-14-9	gamma-Decanolactone	DTXSID4022109	0	0	0	2.328966521	0.320512821	10.04759387	0.613715433	10.28343711	3.319500309	8.284136049	17.11435926
C7080504	7080-50-4	Chloramine-T trihydrate	DTXSID6040795	0	0	0	4.178272981	1.809107923	3.557078048	0.453055838	19.21148587	2.257505912	148.5294118	18.1714287
C709988	709-98-8	Propanil	DTXSID8022111	73.13753554	89.71431734	0	24.31192661	19.38495332	9.071274298	0.232594458	34.14194689	28.14230716	94.12984645	78.39607618
C71238	71-23-8	1-Propanol	DTXSID2021739	0	0	0	3.807106599	1.902017291	6.822410585	0.078266584	26.03140691	9.3628994	17.03373283	11.44066655
C712505	712-50-5	Cyclohexylphenylketone	DTXSID5048182	0	0	10.45990566	5.193370166	2.874251497	1.188861636	0.290068833	9.103616504	7.823701596	20.99887156	94.61156084
C71283802	71283-80-2	Fenoxaprop-P-ethyl	DTXSID2034598	0	0	0	1.698301698	9.942857143	4.27300053	0.202534558	21.05740867	3.479960651	92.59857559	15.11131481
C71526073	71526-07-3	MON-4660	DTXSID0044575	0	0	0	0.959232614	2.33463035	5.187766163	0.274093813	15.79642468	1.561319715	17.254592	58.45557138
C7173515	7173-51-5	Didecyldimethylammonium chloride	DTXSID9032537	0	68.79646357	72.19480331	70.92105263	48.8258317	7.12961055	0.962600028	282.2944896	2.289505734	109.1662327	118.9601587
C71751412	71751-41-2	Abamectin	DTXSID8023892	15.54529852	81.5283894	14.61138311	54.57875458	52.69978402	9.262346921	0.489935893	13.87033823	2.675768372	103.8627659	117.9900386
C717748	717-74-8	"1,3,5-Triisopropylbenzene"	DTXSID4041232	0	5.82531743	0	2.619047619	1.518438178	4.585389931	0.612923904	10.11831449	1.566634659	16.03650065	10.47832583
C7212444	7212-44-4	Nerolidol	DTXSID3022247	0	9.548840871	0	28.39036755	23.13860252	2.703367929	0.216387289	9.444846499	5.066292891	18.60804713	23.386235
C72178020	72178-02-0	Fomesafen	DTXSID7024112	0	0	0	3.841059603	3.033586132	2.353692693	0.454258809	8.278164757	3.732325527	22.34595397	21.11426339
C72208	72-20-8	Endrin	DTXSID6020561	0	0	0	17.72009029	7.576470588	3.304015739	0.497388439	15.55602993	2.069953674	26.70958449	53.52327384
C72333	72-33-3	Mestranol	DTXSID0020814	93.89571852	63.32371661	44.171875	8.476912474	18.35251363	7.258207631	0.297064577	12.65372063	1.850270619	86.65935796	99.83662121
C72435	72-43-5	Methoxychlor	DTXSID9020827	13.02242456	6.361550036	21.45626885	16.73003802	37.98614811	0.455347254	0.234269501	35.10169847	3.982638396	709.8560354	106.8378987
C72490018	72490-01-8	Fenoxycarb	DTXSID7032393	0	0	0	32.92134831	30.15873016	4.55922817	0.306147512	5.611500157	2.809955312	115.5019348	111.3698313
C725228455	725228-45-5	AVE5638	DTXSID0047371	0	33.38515214	56.78431373	87.73993808	70.91653866	12.21431248	0.443712464	179.149864	1.720249577	81.44804138	69.26246759
C72548	72-54-8	"p,p'-DDD"	DTXSID4020373	0	0	0	45.82642344	71.92982456	2.785832263	0.491615389	19.00407875	5.301342759	77.54104929	97.0765914
C72559	72-55-9	"p,p'-DDE"	DTXSID9020374	25.57964971	70.40095712	26.9884575	105.5555556	67.11656442	10.66964655	0.358704555	20.58652963	5.563344797	25.03436426	70.42018624
C7287196	7287-19-6	Prometryn	DTXSID4024272	0	0	0	13.12101911	3.536977492	4.170157912	0.128874058	14.94026856	0.980989053	21.70051791	19.13571561
C732116	732-11-6	Phosmet	DTXSID5024261	0	53.31862981	24.57722661	17.24928367	6.168647425	2.769585844	0.448204363	50.0299744	2.912206204	9.385712732	36.9147569
C73223	73-22-3	l-Tryptophan	DTXSID5021419	0	0	0	3.393425239	1.634320735	3.491894765	0.278071317	27.3171311	3.128584494	12.49904104	17.50173724
C732263	732-26-3	"2,4,6-Tris(tert-butyl)phenol"	DTXSID2021311	0	0	0	41.79531161	73.37016575	1.354524111	0.127035344	16.66330848	7.599406856	15.77557381	12.55689937
C73314	73-31-4	Melatonin	DTXSID1022421	0	0	0	2.328863797	1.998788613	9.242424242	0.199094245	22.9851762	1.884182063	43.49553128	13.21716971
C7378996	7378-99-6	"N,N-Dimethyloctylamine"	DTXSID2036299	0	0	0	4.493087558	1.564380265	4.652986288	0.576254054	14.73779932	1.671029865	15.83971175	26.39399735
C7398698	7398-69-8	Dimethyldiallylammonium chloride	DTXSID4027650	0	5.994194515	0	2.177751619	2.579484103	2.667845542	0.44012848	11.73824131	2.300576934	16.81504882	23.66785297
C74051802	74051-80-2	Sethoxydim	DTXSID9024304	0	0	0	2.694610778	2.436495594	6.875961277	0.30079463	12.42622377	3.843622145	28.11541808	10.6460766
C74115245	74115-24-5	Clofentezine	DTXSID9023881	0	0	0	10.87912088	8.070175439	7.96635329	0.448679865	16.34656423	4.699143415	16.74289004	25.19775968
C741582	741-58-2	Bensulide	DTXSID9032329	56.66200746	0	30.81864356	57.67494357	85.69411765	2.551787988	0.657023962	28.50703163	2.809831927	112.3573678	83.35975174
C742693385	742693-38-5	SSR504734	DTXSID3047348	0	0	0	81.80827887	75.2853598	17.19069008	0.217230716	27.61740053	2.444306516	81.80115566	113.5307657
C744456	744-45-6	Diphenyl isophthalate	DTXSID8037752	0	0	0	25.56149733	11.09947644	6.5619514	0.501163274	151.944793	38.55697009	74.90909091	56.0907345
C7487947	7487-94-7	Mercuric chloride	DTXSID5020811	0	23.79662418	0	50	42.44670992	3.19218241	0.510563828	73.69306414	2.713943836	102.6160013	111.9178752
C75127	75-12-7	Formamide	DTXSID8025337	0	0	0	57.43196092	28.31077104	90.9955223	0.071754364	16.87727565	2.755014985	16.26646011	12.25830357
C75330755	75330-75-5	Lovastatin	DTXSID5020784	0	56.90118876	0	19.31279621	30.38105046	9.422321929	0.355322441	9.861425152	5.079866298	68.58134328	5.496947768
C753731	753-73-1	Dimethyltin dichloride	DTXSID5027304	0	0	0	11.78571429	67.67895879	1.085883514	0.340655303	42.76299421	1.006997666	112.9716689	71.33121159
C7540514	7540-51-4	(S)-(-)-beta-Citronellol	DTXSID1041550	0	0	0	2.048909451	1.145475372	82.61472128	0.485975346	56.02117702	78.42642197	13.80407125	11.25469441
C754916	754-91-6	PFOSA	DTXSID3038939	0	0	0	36.84210526	48.63013699	4.286008654	0.207681989	48.10807456	5.151280895	66.89504827	84.21406425
C75503	75-50-3	Trimethylamine	DTXSID2026238	0	0	0	1.471453796	1.019796041	86.56659042	0.26197399	13.42149152	1.852019801	22.2557187	17.66992499
C75605	75-60-5	Dimethylarsinic acid	DTXSID7020508	0	0	0	5.701254276	2.555366269	6.630602782	0.038601697	8.944088142	3.290632105	12.00503523	7.630351858
C75649	75-64-9	tert-Butylamine	DTXSID5024681	0	0	0	2.721088435	4.825901038	21.89516987	0.111452835	9.57132267	3.488851247	17.13567847	10.14745532
C756796	756-79-6	Dimethyl methylphosphonate	DTXSID0020494	0	0	0	1.911667765	2.765273312	143.2921028	0.284438521	10.89932825	2.661100767	25.06575894	18.27612363
C75865	75-86-5	2-Hydroxy-2-methylpropanenitrile	DTXSID7025427	0	0	0	3.037974684	1.607347876	4.207051552	0.266099985	7.250162876	2.389637123	39.17266036	17.21205008
C75990	75-99-0	Dalapon	DTXSID2021575	0	0	0	6.971556051	0.655737705	21.57951438	0.371048896	15.21883729	1.969825422	99.18949134	13.21167672
C759944	759-94-4	EPTC	DTXSID1024091	2.200138125	0	18.51961073	4.171632896	2.137998056	4.670680533	0.303416918	55.62302703	2.9482952	9.450015193	10.14968391
C760236	760-23-6	"3,4-Dichloro-1-butene"	DTXSID8022113	0	0	0	3.385416667	1.021566402	2.46514222	0.436560826	11.17976243	2.668382164	14.84498184	13.59089695
C76039	76-03-9	Trichloroacetic acid	DTXSID1021378	0	0	0	1.654846336	1.280683031	7.388506767	0.406834969	21.82342719	3.995790883	11.6086448	12.92155826
C762049	762-04-9	Diethyl phosphite	DTXSID9041861	0	0	0	9.433962264	3.562945368	55.2425107	0.093756291	17.68604794	3.137268186	12.5109965	17.54786783
C7631869	7631-86-9	Silica	DTXSID1029677	0	0	0	1.918976546	3.245560318	131.8849863	0.208821225	15.30389555	2.433375598	33.88827094	13.48614882
C7632000	7632-00-0	Sodium nitrite	DTXSID0020941	0	0	0	2.502979738	2.235179786	12.43386243	0.407999949	26.05480184	2.467436927	12.15675585	15.97284076
C76448	76-44-8	Heptachlor	DTXSID3020679	0	0	0	50.41224971	110.5140187	4.636616362	0.90881062	58.42333131	4.777271368	41.33513079	99.79495034
C76493	76-49-3	Bornyl acetate	DTXSID7041675	0	0	0	4.680290046	0.566893424	30.83948592	0.274139397	20.21267294	2.73647959	19.3883153	14.05834534
C76578148	76578-14-8	Quizalofop-ethyl	DTXSID9023889	0	0	0	16.75257732	39.12111468	10.03432137	0.163910872	29.27702716	1.742884284	13.01391708	46.20508798
C7659861	7659-86-1	2-Ethylhexyl sulfanylacetate	DTXSID4027656	0	0	0	6.353749284	1.783590963	6.10849415	0.175758915	18.61800287	7.141670382	33.19227855	13.60053175
C7664382	7664-38-2	Phosphoric acid	DTXSID5024263	0	0	0	3.575989783	3.233830846	95.87758305	0.290801282	31.12927192	1.93796179	60.06752292	15.22187826
C76738620	76738-62-0	Paclobutrazol	DTXSID2024242	39.68051806	0	0	4.365904366	3.537284895	3.815468114	0.393958714	20.58922274	3.290669672	49.31318169	40.54441125
C7681767	7681-76-7	Ronidazole	DTXSID6045400	0	0	0	3.994845361	2.382406842	1.488538255	0.254350445	36.12123974	3.404023599	12.1750335	15.06987122
C7681825	7681-82-5	Sodium iodide	DTXSID2041125	0	0	0	3.050397878	2.253855279	58.44118699	0.450959968	15.49036055	2.346831933	22.94437799	19.27011804
C76879	76-87-9	Triphenyltin hydroxide	DTXSID1021409	6.021376884	0	0	106.1842105	75.83170254	-2.565423449	0.240937073	366.0767352	7.303586797	128.2480561	117.846364
C7696120	7696-12-0	Tetramethrin	DTXSID6032649	0	0	0	59.76331361	42.08494208	3.112549055	0.275604656	12.09911631	11.26607608	85.87315158	26.75769623
C769926	769-92-6	4-tert-Butylaniline	DTXSID0048181	0	0	0	0.506970849	0.572737686	1.722935554	0.475117548	18.37828696	5.769207376	9.709685321	20.42509103
C770354	770-35-4	1-Phenoxy-2-propanol	DTXSID9027312	0	0	0	2.713987474	1.815904822	2.28525172	0.351687578	17.1563655	1.46865182	80.63555114	13.09927325
C77065	77-06-5	Gibberellic acid	DTXSID0020656	0	0	0	1.245330012	3.241013553	8.201945656	0.187965109	23.57572855	2.737091935	9.804605722	26.63918809
C77098	77-09-8	Phenolphthalein	DTXSID0021125	0	0	73.66281387	46.31299735	71.10352673	2.288790324	0.28538318	24.81426449	3.195888752	127.4275031	23.74619794
C77407	77-40-7	Bisphenol B	DTXSID4022442	22.56892851	31.86872666	95.36093888	33.97260274	57.82312925	2.555122577	0.181423549	37.82104058	2.634921139	98.53134657	104.2574197
C7747355	7747-35-5	"5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane"	DTXSID3029289	0	0	0	4.128440367	1.482701812	7.217422606	0.36394784	10.78106189	48.71104853	10.82856391	19.92262014
C77474	77-47-4	Hexachlorocyclopentadiene	DTXSID2020688	0	0	0	97.48778786	80.96256684	4.888670797	0.253326319	39.09563826	3.01157884	7.119388058	74.33905626
C77485	77-48-5	"1,3-Dibromo-5,5-dimethylhydantoin"	DTXSID3035341	0	0	0	8.16542948	8.682328907	7.212330587	0.257560874	25.24509899	2.023495072	20.30630031	15.7299458
C77501634	77501-63-4	Lactofen	DTXSID7024160	42.67548997	0	22.25806452	11.25541126	7.03666997	1.811805961	0.406241348	38.34057521	2.770539539	69.19161226	74.80048968
C7757791	7757-79-1	Potassium nitrate	DTXSID4029692	0	0	0	4.7675103	1.49970006	101.1244162	0.113401768	20.20449898	1.998505497	18.27745164	15.86200206
C7758192	7758-19-2	Sodium chlorite	DTXSID8021272	0	0	0	2.00286123	2.665121669	29.48984904	0.133315376	9.261187767	2.6742452	12.73732619	33.35551823
C77714	77-71-4	"5,5-Dimethylhydantoin"	DTXSID5021754	0	0	0	6.289671091	2.193686463	15.33715613	0.386354745	93.07885041	3.196576277	94.24765365	18.14466809
C7773060	7773-06-0	Ammonium sulfamate	DTXSID5023875	0	0	0	3.40063762	0.935672515	8.330910148	0.135611383	20.81665332	4.367205216	9.879674414	21.59311297
C77736	77-73-6	Dicyclopentadiene	DTXSID5025023	0	0	0	1.660280971	0.621890547	8.04080565	0.388131153	90.16088353	35.27969272	134.4746163	28.34013602
C7775271	7775-27-1	Sodium persulfate	DTXSID4029698	0	0	0	3.502974223	1.374570447	1.370495842	0.401662445	29.75400971	2.836051492	5.368581577	17.49461955
C77781	77-78-1	Dimethyl sulfate	DTXSID5024055	0	0	0	1.46878825	5.375139978	53.64879901	0.223405906	35.0967654	2.793093436	13.48324647	9.329645201
C7779273	7779-27-3	"1,3,5-Triethylhexahydro-s-triazine"	DTXSID1032511	0	9.083437081	0	16.72862454	1.939655172	4.111649674	0.766354692	23.80858662	19.25074841	10.69188061	9.058587073
C77838	77-83-8	Ethyl methylphenylglycidate	DTXSID8020591	0	0	0	-0.211714891	2.362204724	12.57575758	0.22446675	12.50342334	2.158035162	32.73365761	20.57099011
C7785264	7785-26-4	(-)-alpha-Pinene	DTXSID2029290	0	0	0	1.239157373	2.155172414	142.6709009	0.279082347	12.02863785	86.00644241	16.90692551	27.83048885
C77861	77-86-1	Tromethamine	DTXSID2023723	0	0	0	4.163912756	0.687285223	58.40776101	0.168177896	12.2845123	1.042481893	6.560040858	12.59888939
C7786347	7786-34-7	Mevinphos	DTXSID2032683	6.479663394	0	9.636730575	8.482972136	1.177675371	11.20269764	0.59452499	25.59632041	2.015534936	39.89483157	16.64399688
C77894	77-89-4	Acetyltriethyl citrate	DTXSID5044576	0	0	0	3.012912482	1.265822785	136.6350401	0.08515002	14.97876477	2.945289958	18.62515498	8.305601748
C77907	77-90-7	Acetyl tributyl citrate	DTXSID2026446	0	0	0	10.52072264	15.95744681	8.519918581	0.101981653	8.925858697	2.835019821	22.40098687	20.86854042
C77929	77-92-9	Citric acid	DTXSID3020332	0	0	0	6.96969697	6.434599156	3.759325174	0.163792613	8.006942078	2.026229859	27.03196347	5.960414078
C77930	77-93-0	Triethyl citrate	DTXSID0040701	0	0	0	9.14221219	4.95049505	7.272348406	0.233789586	20.08078597	4.227144604	18.45398362	18.62619457
C78079	78-07-9	Ethyltriethoxysilane	DTXSID7041962	0	0	0	3.46178968	2.020753687	3.759785744	0.157049893	39.0419209	1.931660819	38.88882687	13.441893
C78115	78-11-5	Pentaerythritol tetranitrate	DTXSID2023430	0	0	0	3.894472362	1.398992725	9.897528632	0.137331785	7.307233231	7.179650099	7.644762512	37.93386967
C78400	78-40-0	Triethyl phosphate	DTXSID8026228	0	0	0	3.098220171	3.174603175	4.861908668	0.20196048	17.81616362	2.274470383	27.43483255	13.02825516
C78422	78-42-2	Tris(2-ethylhexyl) phosphate	DTXSID0021414	15.575	26.45947902	0	11.3003975	49.89878543	54.15122313	0.265754373	83.28097917	125.6793825	21.56048164	10.75065285
C78473719	78473-71-9	Enterolactone	DTXSID0048183	91.03419516	76.33706964	5.422222222	1.910828025	4.883462819	3.729323308	0.132048075	9.276312846	2.30740024	16.62851534	49.50283406
C78488	78-48-8	Tribufos	DTXSID1024174	0	0	0	27.04590818	86.10679108	1.714466661	0.555200189	27.19596329	1.837408219	16.5950129	38.9505907
C78491028	78491-02-8	Diazolidinyl urea	DTXSID0029559	0	0	0	3.35483871	140.8588957	156.6674944	0.183907237	54.23123692	4.842323071	13.86767977	21.76939315
C78513	78-51-3	Tris(2-butoxyethyl) phosphate	DTXSID5021758	0	0	0	2.177751619	4.859028194	1.091740827	0.270955826	24.65903747	2.362099709	31.48540682	15.03602717
C78587050	78587-05-0	Hexythiazox	DTXSID7024299	0	0	0	18.91891892	32.19978746	5.038571743	0.337328566	30.55135135	3.084808858	86.54882031	111.8848287
C78591	78-59-1	Isophorone	DTXSID8020759	0	0	0	2.397926118	2.96254891	4.900610116	0.260404749	34.9177105	3.079579546	12.54934968	13.40672314
C78637	78-63-7	"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"	DTXSID9025110	0	0	0	7.682926829	5.732484076	7.24881996	0.484852163	147.0339365	2.38288437	14.03024135	20.62248367
C78693	78-69-3	"3,7-Dimethyl-3-octanol"	DTXSID7029110	0	0	0	5.82278481	0.45924225	2.268577047	0.287490315	11.92948835	2.265394448	12.53096614	21.08006358
C78706	78-70-6	Linalool	DTXSID7025502	0	0	0	2.702702703	1.020408163	4.293136451	0.209221359	26.29832221	1.946954853	11.99835351	15.65507287
C78820	78-82-0	2-Methylpropanenitrile	DTXSID5026461	0	0	0	3.056768559	4.594017094	2.041248017	0.309620836	16.31488876	2.319779594	50.22151376	19.01613629
C789026	789-02-6	"o,p'-DDT"	DTXSID6022345	0	0	29.62889462	63.06954436	78.85862516	6.38858198	0.216733969	16.03659983	1.362556942	83.33280283	91.33371979
C78966	78-96-6	1-Amino-2-propanol	DTXSID9021764	0	0	0	5.587668593	2.386634845	12.01716738	0.124808849	6.825471923	1.731045973	7.49506883	17.09916802
C79061	79-06-1	Acrylamide	DTXSID5020027	0	0	0	5.095541401	3.936269916	3.921318176	0.279533621	46.90282617	3.122484914	20.11798062	13.94210522
C79098207	79098-20-7	4-Chloropentylbenzene	DTXSID6048206	0	0	0	3.01369863	2.156334232	1.36944811	0.297058304	18.07253886	2.172411729	16.87672471	12.36619926
C79141	79-14-1	Glycolic acid	DTXSID0025363	0	0	0	3.314917127	0.353773585	7.058144568	0.028829792	36.55095895	5.029806462	10.05870613	11.0945306
C79163	79-16-3	N-Methylacetamide	DTXSID0047167	0	0	0	6.748466258	1.31147541	106.5757852	0.621310255	13.28846649	2.107064483	15.28567183	22.32348047
C79241466	79241-46-6	Fluazifop-P-butyl	DTXSID0034855	0	0	0	17.83035199	11.2894596	30.92835886	0.366565616	8.450996678	25.83191614	67.49193032	25.35063132
C79243	79-24-3	Nitroethane	DTXSID8020969	0	5.966335567	0	2.097902098	3.428571429	3.125675331	0.639069271	43.17727091	2.698412512	15.77072037	11.72818332
C79277273	79277-27-3	Thifensulfuron-methyl	DTXSID1024124	0	0	0	2.474526929	1.360141928	6.674977335	0.184552467	16.78349002	2.999280709	10.51078309	52.19360537
C79390	79-39-0	Methacrylamide	DTXSID8029600	0	0	0	1.069518717	1.570680628	3.682897533	0.30266352	6.97569727	2.436372406	7.358909949	16.18948971
C79436	79-43-6	Dichloroacetic acid	DTXSID2020428	0	0	0	10.30927835	9.539121115	2.583463339	0.228029932	17.09031413	5.060178036	112.643254	15.54686433
C79447	79-44-7	Dimethylcarbamoyl chloride	DTXSID1020512	0	0	0	5.583250249	2.489177489	10.228471	0.326877311	39.56241013	3.487911582	8.410111563	8.956794659
C79538322	79538-32-2	Tefluthrin	DTXSID5032577	0	0	0	11.13537118	19.27710843	6.64495114	0.427413695	6.258000447	2.254981172	21.9768066	16.34237998
C79572	79-57-2	Oxytetracycline	DTXSID1034260	17.00197239	4.051470447	68.94175189	4.024767802	3.395784543	20.58425751	0.123881145	12.45570601	1.961613854	8.703916497	11.6884891
C79622596	79622-59-6	Fluazinam	DTXSID7032551	0	0	0	94.18316832	108.5401039	1.174198773	0.398322525	126.7482871	2.448839966	115.6199086	118.9357804
C797637	797-63-7	Norgestrel	DTXSID3036496	83.58161648	89.35632436	44.93448386	119.4982896	110.0497512	133.62418	2.179921298	16.91188766	124.3091895	78.74931582	15.45923357
C79902639	79902-63-9	Simvastatin	DTXSID0023581	0	0	0	9.86728217	35.47351525	6.300355665	0.588850902	18.60924875	292.3383716	71.45967345	11.0093076
C79925	79-92-5	Camphene	DTXSID8026488	0	0	0	2.451612903	5.766871166	6.630245841	0.289782207	13.19914844	1.707998658	17.62988011	13.93405116
C79947	79-94-7	"3,3',5,5'-Tetrabromobisphenol A"	DTXSID1026081	0	0	73.9367107	23.78223496	58.57385399	7.821515579	0.364462139	11.87038208	1.810894722	81.28984433	44.51991535
C79958	79-95-8	"2,2',6,6'-Tetrachlorobisphenol A"	DTXSID3021770	70.72632424	19.89801327	85.56222179	9.056122449	25.40880503	1.925223907	0.177111542	66.77988177	5.704524578	43.15689598	41.46643397
C79983714	79983-71-4	Hexaconazole	DTXSID4034653	57.71733294	28.22315338	38.61788618	51.53172867	53.22483424	10.28220422	0.08503727	29.6884683	2.404106982	97.46039763	111.2140711
C8000348	8000-34-8	Clove leaf oil	DTXSID8044175	0	50.23595988	0	8.591549296	6.088992974	11.766297	0.341780341	12.02008529	1.591201603	36.85059205	34.32237092
C8000417	8000-41-7	Terpineol	DTXSID8040775	0	0	0	7.903331156	0.928454397	3.260197775	0.178326553	7.150129023	3.961907837	63.75372393	11.69849552
C8001545	8001-54-5	Benzalkonium chloride	DTXSID9034317	0	0	0	57.77027027	84.96071829	1.688984591	0.319274825	178.153329	3.077863873	109.1228063	115.3449515
C8004920	8004-92-0	C.I. Acid Yellow 3 disodium salt	DTXSID0041721	0	0	26.25914765	3.081570997	2.2121384	7.65965657	0.460020892	26.9857229	2.719619502	18.89694786	15.65203791
C80057	80-05-7	Bisphenol A	DTXSID7020182	77.20468356	58.46851733	42.34548336	4.46985447	36.72025723	15.77821193	0.065434446	85.6870229	3.681270637	107.3505063	113.1308194
C8006904	8006-90-4	Peppermint oil	DTXSID6021113	0	0	0	5.292792793	1.122334456	4.020590808	0.16449907	6.82782482	17.76808225	10.25072906	20.53668156
C8007703	8007-70-3	Anise oil	DTXSID3024528	0	0	0	18.05477921	20.71516646	33.07994932	0.236305383	15.62327057	2.216782712	36.08433735	16.88052234
C80079	80-07-9	"4,4'-Dichlorodiphenyl sulfone"	DTXSID9024986	0	0	0	4.145728643	1.622831561	105.3526221	0.378749241	101.3205282	3.598636555	350.6521739	112.2461707
C80080	80-08-0	Dapsone	DTXSID4020371	0	0	0	9.455587393	4.584040747	3.538915246	0.285983847	10.85439888	2.774491729	10.94676484	19.54614779
C80091	80-09-1	"4,4'-Sulfonyldiphenol"	DTXSID3022409	0	0	0	7.912844037	1.218026797	2.246096722	0.412863884	10.42030171	3.201404263	52.53709118	19.24268094
C80159	80-15-9	Cumene hydroperoxide	DTXSID3024869	0	0	0	45.97574421	59.9280144	1.192680707	0.495025632	7.141040363	2.278307701	11.70313524	11.53770246
C8018017	8018-01-7	Mancozeb	DTXSID0034695	0	33.02799255	56.44704215	41.14318053	62.89978678	10.04043127	0.12003975	24.45652852	3.644213803	29.49786344	23.95758563
C80262	80-26-2	alpha-Terpinyl acetate	DTXSID2026496	0	0	0	45.50658271	64.4470868	1.990578939	0.07026617	10.14314353	3.349718881	15.58481797	17.429178
C80273	80-27-3	Terpinyl propionate	DTXSID3044833	0	0	0	1.746724891	6.303418803	6.250661026	0.339919513	13.47030236	10.97824744	12.37504853	17.14382884
C80433	80-43-3	Dicumyl peroxide	DTXSID1025017	0	0	0	39.90877993	82.58706468	0.957765032	0.88181507	51.76879954	2.054168033	19.23090266	47.59273151
C80466	80-46-6	4-(2-Methylbutan-2-yl)phenol	DTXSID8021771	32.08152784	24.10450794	0	59.02934537	46.93069307	122.5046885	0.191105546	32.17108669	1.187806101	111.9952494	15.7982823
C80546	80-54-6	3-(4-tert-Butylphenyl)-2-methylpropanal	DTXSID9026500	0	0	0	2.444987775	1.995012469	4.156795176	0.208318776	9.199670636	4.35436131	9.735798593	5.351436476
C80568	80-56-8	alpha-Pinene	DTXSID4026501	0	0	0	1.763553233	0.928454397	2.889369592	0.36826274	16.92915301	3.293189789	8.665654754	8.2011123
C80844071	80844-07-1	Etofenprox	DTXSID9032610	0	0	0	10.87533156	14.9032992	9.138051304	0.50316841	11.84777258	2.503640408	13.42645214	10.3770562
C81072	81-07-2	Saccharin	DTXSID5021251	0	0	0	2.465753425	1.875732708	2.415807039	0.382583605	20.21929009	2.105657401	60.85984364	20.94980296
C81131706	81131-70-6	Pravastatin sodium	DTXSID6047525	0	0	16.85698063	6.435643564	1.557991922	4.955305697	0.436920617	17.10815002	5.529425351	39.52464789	24.00647706
C81334341	81334-34-1	Imazapyr	DTXSID8034665	13.98711713	0	0	3.67929709	1.546391753	2.148045659	0.103152963	11.07077612	3.937749055	63.66362273	8.175316978
C81335377	81335-37-7	Imazaquin	DTXSID3024152	0	0	0	1.591187271	3.023516237	2.951763859	0.2290541	13.55015883	2.783912732	11.63385465	18.3416783
C81335775	81335-77-5	Imazethapyr	DTXSID3024287	4.588512214	0	0	5.360230548	4.805725971	5.475107936	0.244219162	10.42257126	2.188479561	10.79481939	26.41360459
C81405858	81405-85-8	Imazamethabenz	DTXSID3032412	0	0	0	2.739726027	2.5606469	1.075222292	0.194292617	7.831450291	3.622573949	19.08408137	16.00354156
C81406373	81406-37-3	Fluroxypyr-meptyl	DTXSID5034303	0	0	0	102.0148462	49.84678243	2.673398884	0.291138588	40.48516468	2.934008811	19.34859447	13.59090466
C81741288	81741-28-8	Tributyltetradecylphosphonium chloride	DTXSID9034997	0	69.24346996	110.053509	81.5468114	60.83916084	-2.121303789	0.264750878	201.6141141	1.127549954	107.462199	113.2330619
C81777891	81777-89-1	Clomazone	DTXSID1032355	87.0759346	0	0	5.908835115	7.880133185	6.266285512	0.363223901	10.19719894	1.177922005	27.83203906	75.98769168
C81812	81-81-2	Warfarin	DTXSID5023742	0	0	0	3.969128997	2.219556089	8.336210414	0.145741633	10.89594358	2.827872701	32.27779625	11.10840116
C818611	818-61-1	2-Hydroxyethyl acrylate	DTXSID2022123	0	0	0	13.12997347	21.47093713	7.0289596	0.198893623	25.63407134	11.80267766	11.6024831	19.89140564
C81889	81-88-9	Rhodamine B	DTXSID6042369	0	0	0	23.43032159	36.53366584	7.833078479	0.061053075	11.49003603	2.362129739	71.55763083	66.0926064
C81903	81-90-3	Phenolphthalin	DTXSID5022439	0	0.99069352	4.540176498	1.146788991	1.864677677	16.52785008	0.394353183	9.638087865	2.725062524	6.36626744	26.40976006
C822060	822-06-0	"1,6-Diisocyanatohexane"	DTXSID4024143	0	0	0	8.486238532	4.228445909	10.20518359	0.281975969	37.45248967	2.323760367	9.955101409	20.42024178
C82385420	82385-42-0	Sodium saccharin hydrate	DTXSID7021992	0	0	0	6.463414634	2.547770701	66.75657451	0.251229705	18.54702765	3.794926532	65.36904391	18.17345205
C824395	824-39-5	Sodium 2-nitrophenolate	DTXSID5035616	0	0	0	4.033970276	1.66481687	17.56390977	0.225833019	11.31872737	2.612489962	15.32124922	29.58929212
C82469792	82469-79-2	Butyryl trihexyl citrate	DTXSID0047535	0	0	0	3.907203907	6.911447084	6.019663083	0.302261326	10.06371955	5.806592289	31.690234	19.48069265
C824782	824-78-2	Sodium 4-nitrophenolate	DTXSID3027320	0	0	0	1.646791596	2.631578947	8.154188288	0.542696774	13.15859242	4.641865135	58.26171132	16.12795411
C82558507	82558-50-7	Isoxaben	DTXSID8024159	0	0	0	16.30971993	2.268041237	2.320996195	0.167048241	12.55717279	3.88126893	64.48990445	109.0441075
C825643570	825643-57-0	PharmaGSID_48513	DTXSID4048513	0	0	38.39515241	77	108.2076041	3.091634946	0.320098913	38.63712237	2.213814867	110.7502552	110.6321414
C82640048	82640-04-8	Raloxifene hydrochloride	DTXSID1034181	16.51123681	85.38773498	5.960916632	86.23978202	93.82857143	8.046732041	0.165651628	13.30543946	2.552514667	111.667188	90.82038047
C82657043	82657-04-3	Bifenthrin	DTXSID9020160	12.01383679	0	24.09620556	19.9057715	29.55607477	4.408260524	0.108103131	20.40119505	1.755297566	79.65571205	90.20468686
C826620	826-62-0	"2-Norbornene-5,6-dicarboxylic anhydride"	DTXSID0047456	0	0	0	7.575757576	5.351833499	2.902785895	0.474058013	11.70678337	2.613087625	18.01052524	27.21431777
C82688	82-68-8	Pentachloronitrobenzene	DTXSID2021105	21.58468992	0	39.61922031	5.444126074	11.56862745	3.622730147	0.343713077	58.62344938	3.614309652	58.69874583	112.2200549
C827190	827-19-0	"Sodium 2,5-dimethylbenzenesulfonate"	DTXSID5044578	0	0	0	4.74168436	2.330743618	8.902255639	0.049447347	38.63871865	5.548782639	11.02244174	41.64522828
C827214	827-21-4	Sodium m-xylene-4-sulfonate	DTXSID1041639	0	0	0	3.294117647	2.402957486	10.87711178	0.204645003	19.35328716	8.035391559	24.04070665	26.98816299
C828002	828-00-2	Dimethoxane	DTXSID6020480	0	0	0	3.003754693	5.318588731	3.427845959	0.455178925	7.465323225	2.259670768	107.9691958	31.12694692
C83329	83-32-9	Acenaphthene	DTXSID3021774	0	0	0	3.815789474	5.381604697	4.801153925	0.207666767	25.18014412	2.448300177	10.17509613	10.2457571
C83410	83-41-0	"1,2-Dimethyl-3-nitrobenzene"	DTXSID7025132	0	0	0	5.132192846	3.465851172	4.429028815	0.388739012	159.7585828	3.802603315	6.763224768	18.08775516
C834128	834-12-8	Ametryn	DTXSID1023869	0	0	0	4.675028506	3.577512777	2.148377125	0.156474283	13.92322277	4.625691053	38.35956312	22.16309956
C83657243	83657-24-3	Diniconazole	DTXSID2040363	50.05020796	38.46263374	0	84.60526316	73.38551859	2.977539666	0.465948456	12.08530898	1.063042529	108.8221183	117.3765218
C83670	83-67-0	Theobromine	DTXSID9026132	0	0	11.64349242	4.643962848	1.280081925	5.395279131	0.419767055	10.40889154	4.303181362	21.94690265	15.69630116
C83794	83-79-4	Rotenone	DTXSID6021248	15.47634914	0	23.2252142	38.98089172	30.27179007	-1.034614893	0.557398861	27.1374275	1.163970299	106.6740722	111.8264857
C83834597	83834-59-7	2-Ethylhexyl trans-4-methoxycinnamate	DTXSID9047205	0	0	0	3.693570451	33.37053571	3.024502297	0.459645159	9.070904855	2.674194165	32.08305559	17.62467112
C83885	83-88-5	Riboflavin	DTXSID8021777	0	0	37.52196837	3.934871099	5.477855478	5.312712698	0.364229477	16.33957091	2.229743397	72.17854353	18.75433064
C838857	838-85-7	Diphenyl phosphate	DTXSID1048207	0	0	0	2.038216561	1.779755284	2.370548524	0.134973712	15.91488753	49.14101568	17.36322135	15.70698042
C838880	838-88-0	"4,4'-Methylenebis(2-methylaniline)"	DTXSID5020867	50.96227868	31.14447749	0	22.66112266	19.40726577	4.944369064	0.216078647	19.87998718	2.550762319	39.97787355	77.5702661
C84087014	84087-01-4	Quinclorac	DTXSID6032641	0	0	0	8.310094813	3.606557377	5.266429104	0.183274555	23.31092285	6.652970674	13.03883272	22.03846176
C84162	84-16-2	meso-Hexestrol	DTXSID2022381	88.76337693	16.3402355	82.51246261	5.897435897	1.06870229	3.373247664	0.143161668	15.07173747	1.76354643	308.6698337	78.29005355
C842079	842-07-9	C.I. Solvent Yellow 14	DTXSID4021135	0	0	0	10.47409041	28.72570194	17.64154571	0.374631774	16.56763843	7.726339307	15.24907175	34.28554406
C84371653	84371-65-3	Mifepristone	DTXSID5023322	101.4914773	90.52395677	102.3710952	87.53329782	76.96682464	21.65137615	0.360908415	12.03590538	44.10357974	120.5123148	107.284908
C84617	84-61-7	Dicyclohexyl phthalate	DTXSID5025021	0	15.62439573	0	24.7706422	54.60841769	5.723583461	0.555745909	5.662087679	1.780701585	94.4357293	93.13899744
C84662	84-66-2	Diethyl phthalate	DTXSID7021780	13.69346734	0	0	7.965616046	2.352941176	10.57909477	0.309768122	19.71830986	1.178991825	80.23833168	15.92906401
C84695	84-69-5	Diisobutyl phthalate	DTXSID9022522	0	0	0	13.90374332	25.15463918	4.802069674	0.428157587	20.03803451	2.327684146	12.67928332	21.26991289
C84742	84-74-2	Dibutyl phthalate	DTXSID2021781	9.734254308	2.671485381	10.00298597	15.30343008	5.835240275	4.81192816	0.40541426	11.95174393	1.562799538	11.65483368	9.863581864
C84753	84-75-3	Dihexyl phthalate	DTXSID6025068	0	0	0	29.8382599	20.54644809	1.947460015	0.476332979	41.16534241	16.95168783	17.71634079	10.94308576
C84852153	84852-15-3	"4-Nonylphenol, branched"	DTXSID5029055	72.65451312	0	24.92015968	80	69.59418534	9.242424242	0.411992767	18.35901244	2.922517658	237.3280943	112.2827075
C85018	85-01-8	Phenanthrene	DTXSID6024254	0	0	0	15.71428571	6.783625731	12.86161966	0.242536494	51.71279272	1.800497268	11.29817415	54.02952572
C851916422	851916-42-2	MK-812	DTXSID4047335	0	0	0	2.553191489	2.286719437	1.983953319	0.448786291	9.411840697	2.027331419	19.18259723	16.64204952
C85264331	85264-33-1	"(3,5-Dimethyl-1H-pyrazol-1-yl)methanol"	DTXSID1032513	0	0	0	2.242744063	4.004576659	5.266510937	0.174651641	8.655193793	2.144999085	18.66451222	17.58991186
C85405	85-40-5	"1,2,3,6-Tetrahydrophthalimide"	DTXSID8026513	0	0	0	0.171722954	1.191222571	2.759608498	0.219788472	16.03938731	1.778693004	10.76897011	13.45993614
C85416	85-41-6	Phthalimide	DTXSID3026514	0	0	0	1.643835616	2.461899179	1.881067961	0.196799112	12.56548061	3.475437952	8.450583654	17.9080657
C85507795	85507-79-5	"Phthalic acid, diundecyl ester, branched and linear"	DTXSID4029565	0	0	0	4.178272981	2.932002495	8.315896676	0.224381473	10.87846672	4.245097676	47.23326975	11.92918467
C85509199	85509-19-9	Flusilazole	DTXSID3024235	94.67326201	41.86331385	0	44.65174129	68.80434783	5.864541833	0.279781009	51.29757575	4.968173831	78.09194036	107.4678442
C85532758	85532-75-8	PK 11195	DTXSID7041097	0	0	0	17.87798408	46.75767918	13.68404428	0.326990655	10.36856676	1.877691488	83.63649263	61.27173271
C85687	85-68-7	Benzyl butyl phthalate	DTXSID3020205	0	0	0	10.24657534	5.975723623	10.31466065	0.401199401	14.48285654	2.29840348	110.0574713	55.65435788
C860220	860-22-0	C.I. Acid Blue 74	DTXSID1020190	0	24.74672138	0	1.5625	0.56753689	6.118237591	0.391772615	20.40449856	1.713880444	108.9487291	19.92588277
C862243296	862243-29-6	AVE9423	DTXSID0047375	0	0	74.24183007	6.360424028	7.593457944	6.15567911	0.110602641	9.033538247	2.530410166	9.411265439	16.73691405
C86306	86-30-6	N-Nitrosodiphenylamine	DTXSID6021030	0	0	0	3.902439024	4.246284501	0.438300742	0.294868587	10.63040045	7.465094926	18.25461444	44.57589151
C86386734	86386-73-4	Fluconazole	DTXSID3020627	0	0	0	1.378579003	1.123595506	2.896625033	0.436495927	5.670515626	2.043580974	11.90407812	5.826610655
C864283487	864283-48-7	GSK232420A	DTXSID1047312	82.13124446	100.2666234	102.20752	110.6227106	111.8790497	108.4401771	2.070389328	40.2999301	112.2262604	58.4932242	20.47060209
C86479063	86479-06-3	Hexaflumuron	DTXSID3032620	0	0	0	8.371040724	3.634361233	2.957746479	0.350359442	75.30213749	9.779141136	13.23369029	20.28137305
C86500	86-50-0	Azinphos-methyl	DTXSID3020122	44.77568098	59.60053701	22.74851317	23.4936429	22.10526316	3.740135805	0.149666162	19.11492354	3.242555978	82.28883972	110.3962007
C86737	86-73-7	Fluorene	DTXSID8024105	0	0	0	7.087628866	1.39335477	5.341653666	0.670606143	11.65904443	3.465007584	58.75724396	14.91500373
C86873	86-87-3	1-Naphthaleneacetic acid	DTXSID8020915	0	0	0	0.515168861	1.783590963	9.390670111	0.114188774	49.35792115	2.385015514	26.18796199	86.56753393
C868859	868-85-9	Dimethyl hydrogen phosphite	DTXSID5020493	0	0	0	2.695924765	5.15848353	3.806952785	0.22650853	12.5702606	2.511441465	18.00250212	9.551897013
C87014	87-01-4	7-(Dimethylamino)-4-methylcoumarin	DTXSID6041422	0	80.49973707	0	17.60612387	17.2197871	15.63560509	0.414324177	228.68632	15.07251924	4.639910156	74.34591144
C87183	87-18-3	4-tert-Butylphenyl salicylate	DTXSID9037745	0	0	0	51.9504644	65.45667447	14.74168245	0.403846835	17.71581281	5.349641277	30.84198418	18.26912942
C87241	87-24-1	Ethyl 2-methylbenzoate	DTXSID4040711	0	0	0	2.274293591	2.823529412	11.68095204	0.221587376	31.52118617	4.876614398	57.15870046	19.27953329
C872504	872-50-4	N-Methyl-2-pyrrolidone	DTXSID6020856	0	0	0	4.846335697	5.452501405	3.78887002	0.099201136	47.3145087	2.204020331	11.86040529	5.393780169
C87252	87-25-2	Ethyl anthranilate	DTXSID6025272	0	0	0	5.77592206	1.565435191	2.699336841	0.133396429	24.49868376	3.80428257	14.2432951	5.245380435
C87392129	87392-12-9	S-Metolachlor	DTXSID6032431	0	0	0	5.866842452	4.694533762	16.42391861	0.136812593	9.735488854	4.543882086	99.84310086	105.0838292
C87546187	87546-18-7	Flumiclorac-pentyl	DTXSID2032554	0	0	0	20.83792723	13.85722855	54.61849911	0.473730002	54.37107165	12.15696876	6.761181989	61.90150576
C87616	87-61-6	"1,2,3-Trichlorobenzene"	DTXSID8026193	0	0	0	8.02919708	5.61440678	37.50437726	0.706377274	26.75356921	2.103055909	9.285621072	18.01797782
C87627	87-62-7	"2,6-Dimethylaniline"	DTXSID8026307	0	0	0	8.568004793	3.257868581	108.4918395	0.39070817	15.89927591	3.944743114	12.09672792	8.551475772
C87674688	87674-68-8	Dimethenamid	DTXSID4032376	0	0	0	9.261744966	5.538140021	4.022008253	0.354042991	13.52657005	2.666231137	90.14864689	64.39281356
C87683	87-68-3	"Hexachloro-1,3-butadiene"	DTXSID7020683	0	0	0	2.170963365	7.925407925	3.543068895	0.226647171	11.30372108	3.060269594	7.797487329	21.46182133
C87694	87-69-4	L-Tartaric acid	DTXSID8023632	0	0	0	3.74862183	3.779697624	3.3139479	0.094335396	29.19314014	2.53093503	10.3096345	20.09688471
C877247	877-24-7	Monopotassium phthalate	DTXSID0042167	0	0	0	3.147077714	1.431980907	2.654955584	0.565630432	10.02949853	2.837812452	10.93571808	19.63376367
C87818313	87818-31-3	Cinmethylin	DTXSID3034456	0	0	0	36.1631753	39.53209358	6.057562537	0.130806181	13.58862144	9.133129166	16.41861293	54.18836445
C87820880	87820-88-0	Tralkoxydim	DTXSID1034973	0	0	0	5.637583893	1.044932079	7.587345254	0.083929457	137.0889405	100.0954774	52.99002373	32.0665294
C87865	87-86-5	Pentachlorophenol	DTXSID7021106	21.48383104	0	0	8.209806157	17.31970471	2.836166924	0.567628813	17.69959674	5.042387174	104.1376215	114.4537043
C87901	87-90-1	Symclosene	DTXSID2026523	0	0	0	3.315508021	3.298969072	65.17702094	0.091665988	19.86609465	2.205592134	113.5650224	57.53353979
C88040	88-04-0	"4-Chloro-3,5-dimethylphenol"	DTXSID0032316	0	0	0	5.513016845	2.992518703	14.13209688	0.291497295	15.94139515	3.140657823	14.98492249	44.88066578
C88062	88-06-2	"2,4,6-Trichlorophenol"	DTXSID5021386	0	0	0	5.131128848	2.885572139	3.83380444	0.713261334	15.22403424	8.443685271	93.2352249	12.54060042
C88120	88-12-0	N-Vinyl-2-pyrrolidone	DTXSID2021440	0	0	0	7.413695529	4.47761194	12.33153639	0.282857063	17.21944664	3.535034935	15.50883459	9.987899411
C88186	88-18-6	2-tert-Butylphenol	DTXSID2026525	0	0	0	7.284768212	2.085747393	4.466692999	0.382827492	44.50028997	2.273339738	12.16110962	17.33207573
C88244	88-24-4	"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"	DTXSID7038864	0	0	0	77.97468354	57.17566016	1.36255092	0.221356375	301.4605373	1.759259449	105.2424065	110.1468217
C88302	88-30-2	3-Trifluoromethyl-4-nitrophenol	DTXSID7021788	0	0	0	13.5483871	25.52147239	7.32555252	0.067781735	32.81415034	3.446104187	119.4961804	122.8990221
C88415	88-41-5	2-tert-Butylcyclohexyl acetate	DTXSID3036105	0	0	0	2.98606503	2.946482261	2.542704394	0.110173525	74.67057101	2.380224168	9.769536326	15.85632719
C88584	88-58-4	"2,5-Di-tert-butylbenzene-1,4-diol"	DTXSID8041248	0	0	0	18.44059406	50.83669937	3.32326284	0.586750892	13.07080043	1.949080903	112.1975414	115.2448661
C88608	88-60-8	2-tert-Butyl-5-methylphenol	DTXSID2026529	0	0	0	68.03953871	46.18556701	3.209961951	0.494149228	31.09458633	1.464673449	18.20999357	40.47843179
C88671890	88671-89-0	Myclobutanil	DTXSID8024315	14.01941639	0	28.10380419	8.530805687	7.312049434	7.683679192	0.074898394	15.91774436	1.457865168	37.52952571	29.71442033
C88697	88-69-7	2-Isopropylphenol	DTXSID2044391	0	0	0	6.367804381	4.886769964	1.640278657	0.229865136	16.35853202	2.36358805	10.57916304	10.83771494
C88722	88-72-2	2-Nitrotoluene	DTXSID4025791	0	0	0	8.294625083	4.025423729	210.4003735	0.438429348	10.06868748	3.257746528	8.778417884	13.12618356
C88744	88-74-4	2-Nitroaniline	DTXSID1025726	0	18.88124905	0	4.210526316	3.412073491	6.616089126	0.264242187	14.80177508	5.482473006	9.837223555	22.07890893
C88755	88-75-5	2-Nitrophenol	DTXSID1021790	0	0	0	0.799200799	2.971428571	6.261173651	0.201077289	11.85276239	5.091911807	12.43898334	21.24819356
C88857	88-85-7	Dinoseb	DTXSID3020207	0	0	0	13.73589914	38.24152542	94.39710517	0.780966591	27.6621297	3.701453635	116.4123326	116.7534655
C89043	89-04-3	Trioctyl trimellitate	DTXSID0047533	0	0	0	2.458547742	2.099447514	27.57811089	0.454045149	15.51351751	3.206299356	43.3019331	12.87279694
C89714	89-71-4	Methyl 2-methylbenzoate	DTXSID6048208	0	0	0	3.150684932	1.875732708	85.33828883	0.267227945	28.3615718	3.94331066	11.24353146	17.73269679
C89725	89-72-5	2-(Butan-2-yl)phenol	DTXSID2022331	0	0	0	4.119402985	2.750275028	25.67324955	0.232164566	25.85044678	58.97429456	16.90949482	18.50221484
C89781	89-78-1	dl-Menthol	DTXSID1020805	0	0	0	1.927437642	2.871105681	18.58997092	0.191331081	17.50721902	2.87436122	44.35058078	16.44983309
C89838	89-83-8	Thymol	DTXSID6034972	0	0	0	3.349807798	1.649484536	3.20650294	-0.037245126	18.173617	2.374762161	67.83783871	18.74230168
C89872	89-87-2	"1,3-Dimethyl-4-nitrobenzene"	DTXSID2025135	0	0	0	1.873111782	0.964265457	9.396102643	0.064895248	27.34437756	3.772837454	13.44467168	103.1483484
C90006	90-00-6	2-Ethylphenol	DTXSID1022479	0	0	0	2.538071066	3.515850144	3.426710771	0.140908856	40.19456113	3.535216734	8.762311405	13.17920033
C90028	90-02-8	Salicylaldehyde	DTXSID1021792	0	0	0	5.585831063	2.057142857	9.9329048	0.023797208	16.27543036	2.19513608	8.147052888	17.18002485
C9003116	9003-11-6	Pluronic F-127	DTXSID4047597	0	0	0	5.952380952	2.699228792	1.321305868	0.074154817	10.04289098	3.374466467	6.153359851	16.9248622
C90040	90-04-0	2-Anisidine	DTXSID5023877	0	0	0	3.2873807	2.145045965	6.999734255	0.364456366	12.22465209	9.227122314	8.52486209	18.22889686
C9004824	9004-82-4	Sodium lauryl polyoxyethylene ether sulfate	DTXSID2029298	0	0	109.4343841	4.296100463	6.758304696	4.080689868	0.167196137	91.38191362	2.267757187	31.84862447	36.64659109
C9004960	9004-96-0	Polyoxyethylene monoleate	DTXSID6027713	0	0	84.87968784	26.10707204	19.58762887	71.18878965	0.163459977	10.59329323	5.404357618	39.07960223	23.78350075
C90051	90-05-1	2-Methoxyphenol	DTXSID0023113	0	0	0	2.387267905	1.304863582	10.43975688	0.272653935	10.39217441	3.482887178	83.05274972	91.03623949
C9005656	9005-65-6	Polysorbate 80	DTXSID0021175	0	0	0	4.285714286	3.904555315	2.645607108	0.938683649	14.71528925	5.420835865	28.07449454	12.02955821
C90120	90-12-0	1-Methylnaphthalene	DTXSID9020877	0	0	0	4.670793472	1.331853496	47.4360596	0.070385507	12.17692647	2.551887707	9.83176813	11.3806546
C90153	90-15-3	1-Naphthol	DTXSID6021793	0	0	0	2.178899083	1.545018647	11.27488515	0.16730262	19.46737386	2.127812356	58.55987055	55.05458761
C9016006	9016-00-6	Polydimethylsiloxane	DTXSID9023833	0	0	0	2.752293578	2.314250914	6.023069666	0.06101065	31.85653466	3.775103042	21.15076673	7.873209648
C9016879	9016-87-9	Polymethylene polyphenyl isocynate	DTXSID3047473	0	0	0	4.225352113	2.874251497	2.469998835	0.140958188	10.71350834	2.119234134	13.1830338	23.85073751
C90302	90-30-2	N-Phenyl-1-naphthylamine	DTXSID2025892	0	0	0	34.14364641	42.33490566	4.155244553	1.116956146	11.22254919	2.488386469	86.38159025	96.5213733
C90357065	90357-06-5	Bicalutamide	DTXSID2022678	0	79.03544444	60.07354364	57.75615341	93.60501567	11.16893451	0.662797631	19.71024543	16.43209516	90.96624391	72.36018723
C90437	90-43-7	2-Phenylphenol	DTXSID2021151	10.22052697	59.19477103	24.30894309	5.782652044	7.9004329	4.147627417	0.206427796	10.19649069	3.052567153	15.48272825	62.63134831
C90722	90-72-2	"2,4,6-Tris(dimethylaminomethyl)phenol"	DTXSID5026548	0	0	0	3.096903097	3.2	6.583367714	0.095744748	19.02717289	2.762612336	20.70224532	23.99336303
C90823384	90823-38-4	Denatonium saccharide	DTXSID9034361	0	0	0	0.973096737	0.062695925	2.193045277	0.288831898	20.23251559	5.52974475	14.31423061	12.16425421
C90948	90-94-8	Michler's ketone	DTXSID2020894	0	0	0	20.51145445	25.21327014	2.001668057	0.165323366	46.10612825	9.435749029	63.1886193	16.65072116
C91082176	91082-17-6	C10-21 sulfonic acids phenyl esters	DTXSID1047526	0	0	0	9.061135371	5.00463392	4.104234528	0.492722935	30.66795051	4.982117871	26.05841354	10.54291498
C91203	91-20-3	Naphthalene	DTXSID8020913	0	0	0	2.441794435	3.643724696	13.56560415	0.329139622	15.89739295	3.274986109	12.67592804	7.315145762
C91225	91-22-5	Quinoline	DTXSID1021798	0	0	0	3.01369863	0.933706816	8.734302244	0.493448186	13.99005574	3.840145906	17.00676381	10.51558627
C91465086	91465-08-6	lambda-Cyhalothrin	DTXSID7032559	14.64132762	17.09012508	12.93349169	3.583502366	3.923900119	6.842737095	0.419371547	9.152086291	4.518033815	43.41462277	31.24115594
C91532	91-53-2	Ethoxyquin	DTXSID9020582	0	0	0	14.83516484	10.40935673	3.85617681	0.134580386	26.32269625	1.802910412	44.97039228	57.06585025
C91598	91-59-8	2-Naphthylamine	DTXSID2020921	0	0	0	4.590818363	2.436495594	8.219487922	0.229553947	10.28397729	7.692142818	10.08174387	3.515560858
C91623	91-62-3	6-Methylquinoline	DTXSID3020887	0	0	0	3.165938865	0.834105653	5.407166124	0.195713011	28.41136455	2.911464401	10.76679255	9.573545208
C91645	91-64-5	Coumarin	DTXSID7020348	0	0	0	5.698860228	28.03437164	3.45131282	0.23706844	12.58198279	3.212374851	13.05155597	14.00178658
C91667	91-66-7	"N,N-Diethylaniline"	DTXSID8021800	0	0	0	6.748466258	2.732240437	4.446009779	0.199405963	38.53556864	7.890899359	26.37037037	19.06874664
C919302	919-30-2	3-Aminopropyltriethoxysilane	DTXSID2027333	0	0	0	1.204819277	1.805054152	21.13684994	0.192645078	69.63421715	2.861706869	11.73615763	24.61853026
C92046	92-04-6	2-Chloro-4-phenylphenol	DTXSID0022353	0	75.93873317	76.51560926	104.453723	83.09329994	18.49683988	0.1740294	25.35211268	26.82080902	54.08394936	77.2952111
C924163	924-16-3	N-Nitrosodibutylamine	DTXSID2021026	0	0	0	5.555555556	2.134471718	12.40292878	0.088056177	15.12658984	9.867204312	15.61469295	38.30280845
C92524	92-52-4	Biphenyl	DTXSID4020161	0	0	0	4.690618762	2.33281493	3.43345698	0.536675885	25.3112623	2.626722878	12.92146565	20.71022786
C92682	92-68-2	4-Cyclohexylcyclohexanone	DTXSID8040721	-451.5873016	21.88741006	19.8332602	8.161911082	8.611825193	7.955590996	0.28371443	14.63526388	3.532505509	35.48857123	14.98625118
C92693	92-69-3	4-Phenylphenol	DTXSID7021152	74.61161079	20.41372688	19.53822697	35.5466514	44.32601881	61.57714649	0.220935744	34.76695718	27.01695272	117.969208	74.28059976
C92842	92-84-2	Phenothiazine	DTXSID5021126	0	0	0	7.196562836	5.326032852	5.650784428	0.531290568	14.43351094	1.331304978	132.8850789	85.20550813
C92875	92-87-5	Benzidine	DTXSID2020137	0	28.61696377	0	10.40391677	1.343784994	6.630015053	0.477098467	11.60070077	6.856836556	25.12709136	91.34752469
C928961	928-96-1	(Z)-3-Hexen-1-ol	DTXSID6022137	0	0	0	1.149425287	0.951248514	5.02486709	0.198011588	10.90187661	2.67570317	11.56023351	27.4780081
C929599	929-59-9	"2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine"	DTXSID9044742	0	0	0	1.857142857	3.077851539	0.881997957	0.122159535	13.02864337	1.412849642	20.77556874	34.12928496
C929601092	929601-09-2	SR58611	DTXSID1047360	0	0	0	63.93099843	70.39106145	5.231286796	0.285621091	31.92030521	3.454823035	23.11027693	39.12975635
C930552	930-55-2	N-Nitrosopyrrolidine	DTXSID8021062	0	3.077855322	0	3.50877193	2.257217848	46.10074499	0.802543	54.15132924	2.27817502	9.562122853	13.71851774
C93083	93-08-3	2'-Acetonaphthone	DTXSID2041389	0	0	0	3.947368421	8.39954597	1.736854628	0.168748375	16.46143705	3.735418395	12.53565769	49.1094837
C93152	93-15-2	Methyleugenol	DTXSID5025607	0	0	0	4.122497055	5.490654206	6.602462272	0.404080042	10.12313898	2.779667514	14.14248787	15.09132017
C93561	93-56-1	Styrene glycol	DTXSID8042422	0	0	0	2.519893899	2.491103203	7.286378262	0.340649831	22.78193783	2.729076507	11.9703704	17.63415829
C93652	93-65-2	Mecoprop	DTXSID9024194	0	0	0	2.924791086	2.432938241	3.094157948	0.165337732	29.58366693	2.268786938	12.54399031	23.22691539
C93765	93-76-5	"2,4,5-Trichlorophenoxyacetic acid"	DTXSID5021388	0	0	0	2.636916836	0.475624257	6.63694049	0.150824902	16.27604167	2.852989878	9.967297778	12.14947016
C938169	938-16-9	tert-Butyl phenyl ketone	DTXSID1048209	0	0	0	3.413143148	3.694874851	2.574414186	0.045188774	12.0588961	2.212984703	14.96801706	25.68283308
C93890	93-89-0	Ethyl benzoate	DTXSID3038696	0	5.174813518	0	6.071871128	11.85344828	6.719037272	1.144272736	7.94591981	16.96495079	6.116831865	13.03652761
C93925	93-92-5	(+/-)-alpha-Methylbenzyl acetate	DTXSID6041636	67.99301242	5.488419738	1.666666667	4.209183673	2.012578616	5.095889052	0.069230659	12.14119277	2.189500209	6.47562795	9.792293942
C93992	93-99-2	Phenyl benzoate	DTXSID0048210	0	0	0	2.911208151	0.747863248	12.44843998	0.241507757	24.21185668	2.542681048	15.49396745	102.1596379
C94086	94-08-6	Ethyl 4-methylbenzoate	DTXSID5048211	0	0	0	3.561643836	2.461899179	3.015018204	0.3752714	11.90720165	7.342677975	22.79940209	20.50671688
C94097	94-09-7	Benzocaine	DTXSID8021804	0	6.56616971	0	1.901140684	2.290950745	138.6060631	0.270806544	8.790003296	3.09558386	43.29461457	17.51598386
C94133	94-13-3	Propylparaben	DTXSID4022527	0	22.73422753	0	1.49970006	6.874328679	9.120933561	0.089802438	13.76090791	5.553626832	158.1838565	88.09575206
C941695	941-69-5	"1-Phenyl-1H-pyrrole-2,5-dione"	DTXSID0041274	0	0	0	64.83078965	69.93385448	2.75133655	0.207419268	151.2197242	2.641314455	95.00575262	119.0834812
C94188	94-18-8	Benzylparaben	DTXSID9022526	0	36.87544276	0	8.469945355	17.03163017	4.785856942	0.252429882	53.24106113	4.885286379	87.42259302	19.74620552
C94268	94-26-8	Butylparaben	DTXSID3020209	0	15.00518886	18.50316387	2.77214334	3.02677532	9.346595781	0.479306094	15.97359143	6.156771987	59.02612827	18.80337781
C94280	94-28-0	Triethylene glycol bis(2-ethylhexanoate)	DTXSID3026564	0	0	0	18.30238727	22.98065984	2.538859422	0.17320096	126.95747	5.204311389	43.43109557	21.87426686
C94361065	94361-06-5	Cyproconazole	DTXSID0032601	37.32918553	42.28885581	33.90551181	19.81828507	15.68825911	15.56708673	0.319617934	14.72187369	2.408258575	37.49938427	38.0840347
C94462	94-46-2	Isopentyl benzoate	DTXSID8047185	0	0	0	5.193370166	0.825471698	1.033039965	0.241116747	31.22201289	2.890777954	10.9689449	12.12549008
C94473	94-47-3	2-Phenylethyl benzoate	DTXSID9047590	0	0	0	8.528906697	13.43638526	20.87828597	0.133744872	7.892982452	8.571186219	23.27182594	15.60736679
C94597	94-59-7	Safrole	DTXSID0021254	0	0	0	5.807139052	1.042654028	123.5696414	0.098862932	10.26289145	1.450949069	6.180807648	14.24519424
C94600	94-60-0	Dimethyl hexahydroterephthalate	DTXSID3026566	0	0	0	1.268882175	2.098695406	20.04630523	0.442596074	25.010004	2.906970862	15.77072037	17.70503595
C94713	94-71-3	2-Ethoxyphenol	DTXSID2042276	0	0	0	1.466992665	0.997506234	4.544475555	0.247126796	29.94767609	2.323452545	9.775857764	102.5494843
C94746	94-74-6	MCPA	DTXSID4024195	0	0	0	3.501094092	3.556359253	141.8231995	0.279752794	22.41874862	1.873506358	9.606762346	6.946996637
C94757	94-75-7	"2,4-Dichlorophenoxyacetic acid"	DTXSID0020442	6.942227311	0	19.74902898	4.005006258	3.528172722	15.09662858	0.213933177	9.157986111	2.857778184	9.079710473	13.69438683
C94804	94-80-4	"2,4-D 1-butyl ester"	DTXSID5020443	0	0	0	0.99626401	1.237477902	2.968802415	0.254203804	22.02171208	1.642862586	13.58253613	3.834407418
C94815	94-81-5	MCPB	DTXSID4024193	0	0	0	3.773584906	2.731591449	6.431288635	0.07912162	18.17836091	4.914795722	13.90451597	24.58566728
C94826	94-82-6	"2,4-DB"	DTXSID7024035	15.59220276	0	21.62074554	1.696832579	3.634361233	5.035211268	0.415127306	52.72967836	11.61561596	463.6956522	82.64717249
C94917	94-91-7	"N,N'-Disalicylidene-1,2-diaminopropane"	DTXSID2041200	0	0	0	3.790489318	5.632949727	7.542147294	0.323791349	9.171056042	1.772395759	12.66344486	10.87923359
C94962	94-96-2	"2-Ethyl-1,3-hexanediol"	DTXSID4025292	0	0	0	2.465753425	1.875732708	7.774575243	0.042858958	27.23878077	2.15175049	44.42992342	24.79187187
C950378	950-37-8	Methidathion	DTXSID5020819	37.98424412	0	17.25591956	28.38427948	21.68674699	5.765472313	0.342736778	200.7803355	4.89447883	239.4878545	103.3817975
C95136	95-13-6	Indene	DTXSID8042052	0	0	0	1.833740831	2.244389027	13.16677436	0.05935608	16.8341022	2.73292841	10.35100529	18.56090139
C95147	95-14-7	"1,2,3-Benzotriazole"	DTXSID6020147	0	0	0	3.857142857	2.114427861	13.50248496	0.305255888	32.34541807	2.803987549	19.6044561	19.00090192
C95169	95-16-9	Benzothiazole	DTXSID7024586	0	0	0	5.75649516	3.57568534	83.78087397	0.183496629	17.74915012	2.61188856	11.80451481	21.68830861
C95266403	95266-40-3	Trinexapac-ethyl	DTXSID9032535	0	0	0	2.501690331	0.951248514	14.28571429	0.462761138	17.72590891	2.218170394	14.94093705	17.17898905
C95385	95-38-5	2-(8-Heptadecenyl)-2-imidazoline-1-ethanol	DTXSID2036112	0	26.7751298	102.0074187	81.14754098	68.24817518	3.188105629	0.17887971	73.81889764	5.189188411	91.39770542	111.3755457
C95487	95-48-7	o-Cresol	DTXSID8021808	0	0	0	8.974358974	5.748502994	4.798331015	0.391697131	35.00022907	1.186014667	12.27881883	15.19580073
C95498	95-49-8	2-Chlorotoluene	DTXSID8023977	0	0	0	2.250432776	5.83199572	4.050228642	0.401419931	17.9601316	2.675394891	12.51600489	14.3745324
C95501	95-50-1	"1,2-Dichlorobenzene"	DTXSID6020430	0	0	0	7.336343115	2.376237624	8.897687018	0.253351852	13.07743075	2.030895487	30.14956054	8.761879267
C95534	95-53-4	2-Methylaniline	DTXSID1026164	0	0	0	8.309455587	5.149971703	5.500705219	0.170472244	14.68869635	2.32632401	18.73383241	24.57705134
C95545	95-54-5	"1,2-Phenylenediamine"	DTXSID3025881	55.16770984	0	0	12.8440367	10.48874245	6.569474442	0.148047389	70.49457452	35.86177545	190.5888364	26.15004425
C95578	95-57-8	2-Chlorophenol	DTXSID5021544	0	0	0	5.319148936	2.55057168	2.15536105	0.156814086	10.3378601	2.42271778	18.27748637	13.19951709
C95636	95-63-6	"1,2,4-Trimethylbenzene"	DTXSID6021402	0	0	0	7.397260274	8.683473389	12.40299139	0.079688889	18.872343	2.674481898	14.96883754	15.18067529
C95658	95-65-8	"3,4-Dimethylphenol"	DTXSID4024062	0	0	0	2.693409742	6.176470588	7.146083657	0.189966599	13.39740948	2.684208186	52.09013747	13.50285665
C95737681	95737-68-1	Pyriproxyfen	DTXSID1032640	7.247643362	0	16.52225874	21.58968851	27.22747636	7.800697269	0.392946447	11.9384193	3.935055175	37.17429068	14.65396264
C95749	95-74-9	3-Chloro-4-methylaniline	DTXSID0020286	0	9.998502694	0	5.065452476	1.137656428	5.1441568	0.208903857	11.64565337	2.06082332	15.99453958	18.78316201
C957517	957-51-7	Diphenamid	DTXSID8024072	0	0	0	2.295918367	1.583577713	4.523890207	0.072016233	70.82273075	2.899722987	15.49049374	11.09608479
C95761	95-76-1	"3,4-Dichloroaniline"	DTXSID7021815	0	27.32572421	0	7.38170347	4.592774036	4.218616004	0.145932013	37.49630203	1.307702927	15.99024397	47.13531051
C95807	95-80-7	"2,4-Diaminotoluene"	DTXSID4020402	0	0	0	6.734578381	1.279317697	11.99460916	0.497291162	21.77495944	2.66974767	14.46113368	35.13539564
C95830	95-83-0	"4-Chloro-1,2-diaminobenzene"	DTXSID5020283	5.694618273	41.86974857	0	17.78563015	13.6682243	20.75059571	1.183964858	9.54765465	187.9877805	84.05673632	99.31323942
C95874	95-87-4	"2,5-Dimethylphenol"	DTXSID6025145	0	0	0	5.135603001	2.621722846	14.49517311	0.303802579	12.89743635	1.756210881	12.40487324	12.21327868
C95932	95-93-2	"1,2,4,5-Tetramethylbenzene"	DTXSID1029124	0	0	0	2.602739726	0.943396226	222.1772711	0.439273181	19.28650696	3.074928429	58.86351278	16.45208727
C95943	95-94-3	"1,2,4,5-Tetrachlorobenzene"	DTXSID7024320	0	0	0	8.662420382	2.811621368	7.34448844	0.135037144	19.88532019	2.590039675	11.82603787	18.12989215
C95954	95-95-4	"2,4,5-Trichlorophenol"	DTXSID4024359	0	14.4152731	0	19.30219471	47.3917869	5.461812846	0.443785088	8.103298632	2.514550461	144.6261682	108.1756123
C959988	959-98-8	Endosulfan I	DTXSID9037539	0	0	0	24.01253918	46.67495339	2.503076047	0.227384099	27.8206276	2.441727345	49.01246489	80.82472389
C960714	960-71-4	Triphenylborane	DTXSID6027345	0	38.73073057	0	4.591836735	7.096774194	11.52151813	0.201049371	40.58070416	7.135415097	37.96416691	49.83293838
C96093	96-09-3	Styrene oxide	DTXSID2021286	37.24770642	0	0	4.545454545	3.171456888	2.630040912	0.518933158	9.129350932	2.494791875	18.23358817	14.46295903
C96182535	96182-53-5	Tebupirimfos	DTXSID1032482	0	0	0	51.02564103	102.0359281	18.01112656	0.204005997	10.61713587	4.181455769	38.12301726	7.115023502
C96184	96-18-4	"1,2,3-Trichloropropane"	DTXSID9021390	0	0	0	2.725968436	11.63351417	6.040174182	0.137503524	19.80936818	2.246084055	9.243561967	22.27000237
C96231	96-23-1	"1,3-Dichloro-2-propanol"	DTXSID6025010	0	0	0	5.882352941	1.54185022	1.795774648	0.247092862	33.05201178	1.856668976	12.23857475	14.00701334
C96242	96-24-2	"3-Chloro-1,2-propanediol"	DTXSID4020664	0	0	0	2.158273381	2.723735409	141.2698413	0.146394656	26.92543145	4.311070996	12.92960595	17.36944908
C962583	962-58-3	Diazoxon	DTXSID5037523	7.319964349	0	22.48599233	2.56684492	1.237113402	7.644327887	0.138939756	20.10098782	3.227903699	14.1077561	7.415723496
C96297	96-29-7	2-Butanone oxime	DTXSID1021821	17.80650542	0	0	5.982905983	11.23110151	3.892370494	0.743869956	22.76824123	1.895844556	13.91925254	16.44492063
C96413	96-41-3	Cyclopentanol	DTXSID1033371	0	0	0	1.949860724	2.432938241	3.497824276	0.1260968	10.23189769	3.551793305	11.30116291	24.43922564
C96457	96-45-7	Ethylene thiourea	DTXSID5020601	0	0	12.90950373	3.641791045	9.350935094	5.516566019	0.190686358	45.22546419	2.25268761	12.22494448	13.9001824
C96480	96-48-0	4-Butyrolactone	DTXSID6020224	0	0	0	6.914893617	2.726473175	1.9730124	0.449946548	13.33782214	3.986120806	7.999198527	21.21606798
C96489713	96489-71-3	Pyridaben	DTXSID5032573	0	0	0	13.68540602	38.86639676	4.262416605	0.308647238	22.1869372	2.553149398	102.284513	116.0555387
C96708	96-70-8	2-tert-Butyl-4-ethylphenol	DTXSID4044581	0	0	0	55.49358617	59.12568306	1.317643159	0.293536494	36.35302148	2.960111784	28.69338082	42.06223835
C96764	96-76-4	"2,4-Di-tert-butylphenol"	DTXSID2026602	44.78570323	0	0	80.63694268	59.37834941	6.61940058	0.418111643	22.11576142	2.87275842	35.46475969	103.1737445
C96833	96-83-3	Iopanoic acid	DTXSID6023159	0	0	0	5.780346821	12.26765799	39.58141428	0.140978625	11.36577652	3.304311606	169.3946188	10.4183673
C97007	97-00-7	"1-Chloro-2,4-dinitrobenzene"	DTXSID6020278	0	73.7878529	51.98518823	97.68041237	95.84605987	0.572514714	0.424621729	49.08751292	2.152822765	104.5094522	111.4725551
C97234	97-23-4	Dichlorophen	DTXSID6021824	0	71.97182278	107.9450822	73.13602732	68.25938567	1.277677437	0.285784548	35.90600394	2.554241013	109.12242	113.643824
C97322877	97322-87-7	Troglitazone	DTXSID8023719	0	0	14.86034853	15.85220501	32.84742468	3.238460135	0.378511623	9.033611727	2.482025822	105.2621628	73.75167138
C97529	97-52-9	2-Methoxy-4-nitroaniline	DTXSID0038700	0	0	0	4.617505169	3.294117647	25.2319898	0.154224427	21.04327708	1.439430628	30.30813268	31.57152661
C97530	97-53-0	Eugenol	DTXSID9020617	0	37.20968411	0	4.812834225	2.886597938	12.73345855	0.027102144	22.63342423	2.739084475	38.5840708	18.16740678
C97541	97-54-1	Isoeugenol	DTXSID7022413	0	0	0	8.280254777	7.029053421	6.463149828	0.075929814	14.39407712	2.172828147	30.33006244	33.80098784
C97563	97-56-3	2-Amino-5-azotoluene	DTXSID1020069	0	0	35.24510754	57.22831505	66.12554113	6.994727592	0.314075207	115.0092962	17.57853376	97.29923273	88.21535611
C97596	97-59-6	Allantoin	DTXSID3020043	0	0	0	4.366812227	-0.177409817	7.332275612	0.178337241	9.903411391	1.624330882	75.74102021	11.82554143
C97778	97-77-8	Disulfiram	DTXSID1021322	0	0	0	37.43589744	65.74850299	2.155771905	0.381501895	24.15254724	2.294963557	115.4698743	114.1664214
C97789	97-78-9	N-Dodecanoyl-N-methylglycine	DTXSID7042011	0	0	0	2.467010901	4.572803851	364.3873849	0.066662847	30.34220532	3.024466638	45.97321874	16.11389774
C97886458	97886-45-8	Dithiopyr	DTXSID9032379	0	0	0	25.03920544	62.5698324	3.777964676	0.224320068	8.969791568	2.533602334	69.00973517	64.27208931
C97994	97-99-4	Tetrahydrofurfuryl alcohol	DTXSID1029128	0	0	0	3.300733496	1.74563591	2.950678441	0.278889358	130.9490228	1.767128188	10.8570519	9.723207711
C98000	98-00-0	Furfuryl alcohol	DTXSID2025347	0	0	0	1.408450704	3.71257485	1.798128083	0.121510757	22.44568314	2.114972279	14.75618199	10.66876477
C98011	98-01-1	Furfural	DTXSID1020647	0	0	0	6.133933596	41.0654828	3.4683397	0.329145194	18.18884093	2.745847943	74.42872688	6.282672143
C98066	98-06-6	tert-Butylbenzene	DTXSID3047138	0	0	0	8.126410835	1.270588235	3.523897697	0.5026775	16.84538775	3.176493131	12.63747168	14.42080125
C98077	98-07-7	Benzotrichloride	DTXSID1020148	0	0	0	5.629139073	1.158748552	6.166818361	0.507662046	15.56682545	4.593784597	20.54892944	18.53620304
C98319267	98319-26-7	Finasteride	DTXSID3020625	0	4.468201335	0	16.84210526	15.17060367	3.294374957	0.445144303	11.50276872	1.302538573	82.50809061	97.96955957
C98511	98-51-1	4-tert-Butyltoluene	DTXSID1024704	0	0	0	3.197492163	1.180857676	136.6077167	0.110108408	17.64732459	8.605518437	14.6147284	14.26701819
C98522	98-52-2	4-tert-Butylcyclohexanol	DTXSID5026623	0	0	0	4.874651811	0.561447286	0.301823905	0.267214619	26.96617236	4.034908254	135.941867	78.06953014
C98533	98-53-3	4-tert-Butylcyclohexanone	DTXSID7044394	0	0	0	2.189781022	1.022248948	11.07923675	0.286612882	14.92332429	3.137956397	97.38045575	10.23675684
C98544	98-54-4	4-tert-Butylphenol	DTXSID1020221	0	0	0	5.304740406	5.247524752	11.06480517	0.182911842	20.11309418	1.876640919	97.03745186	27.65748038
C98566	98-56-6	1-Chloro-4-(trifluoromethyl)benzene	DTXSID7024821	0	0	0	3.217665615	2.510716473	2.483673066	0.377833399	32.63397912	1.918345815	16.42587381	106.8650971
C98730042	98730-04-2	Benoxacor	DTXSID3029572	0	0	0	2.963917526	15.45510079	2.862573568	0.179812452	64.49117254	2.807391647	68.8930507	97.41093529
C98862	98-86-2	Acetophenone	DTXSID6021828	0	0	0	5.721393035	2.391304348	6.342629482	0.749560393	28.59133597	5.694799502	16.46761091	10.94581911
C98873	98-87-3	Benzal chloride	DTXSID6025014	0	0	0	4.517568321	3.169398907	7.864423635	0.300503734	11.51097131	3.360145179	24.59676394	13.15230687
C98886443	98886-44-3	Fosthiazate	DTXSID0034930	0	0	0	8.021390374	3.560209424	3.124826758	0.193677514	13.11659232	2.092657377	24.45669948	13.04847773
C98920	98-92-0	Niacinamide	DTXSID2020929	0	0	0	2.405063291	1.604278075	3.21084151	0.204298829	23.56360385	1.518259004	42.73602529	21.14743721
C989388	989-38-8	Rhodamine 6G	DTXSID1021243	0	0	50.96249256	72.34915056	81.22009569	0.58629144	0.332752343	13.11037843	1.662123825	112.82267	113.3187226
C98953	98-95-3	Nitrobenzene	DTXSID3020964	0	0	0	8.179723502	9.265944645	24.37415135	0.28429486	14.71693069	2.647860204	13.52168219	20.87554493
C98967409	98967-40-9	Flumetsulam	DTXSID4032615	0	0	0	1.645123384	2.019128587	4.342076262	0.309517118	14.78267428	2.411485537	14.21803149	10.70900085
C99070	99-07-0	3-Dimethylaminophenol	DTXSID0025101	0	0	0	16.16972477	30.31433138	19.88897397	0.105033904	21.68566957	4.338232855	9.744024399	14.93476273
C99081	99-08-1	3-Nitrotoluene	DTXSID5021831	0	0	0	5.597230237	5.403959337	8.107715758	0.51210607	37.34776725	5.454957076	8.005548794	9.263555687
C99309	99-30-9	Dicloran	DTXSID2020426	0	51.47526846	0	18.08731809	37.66730402	2.63229308	0.172538719	33.40421419	3.764866588	57.48662876	65.81457473
C99514	99-51-4	"1,2-Dimethyl-4-nitrobenzene"	DTXSID2025133	0	0	0	8.9306698	2.869287991	4.58893542	0.319488623	23.33519933	4.193783278	17.99234291	17.06773685
C99547	99-54-7	"3,4-Dichloronitrobenzene"	DTXSID8024999	0	0	0	4.783861671	2.862985685	13.42987048	0.436920617	14.56821116	2.343311299	14.42253075	9.102433759
C99558	99-55-8	2-Methyl-5-nitroaniline	DTXSID4020959	0	32.94421291	0	8.224076281	14.48007775	2.636380223	0.462688203	16.79048097	5.918193467	13.79153777	42.1836722
C99592	99-59-2	2-Methoxy-5-nitroaniline	DTXSID0020943	0	0	0	2.843601896	2.574665294	19.23724061	0.237189423	18.00983731	3.764477876	11.75215518	12.89424954
C99607702	99607-70-2	Cloquintocet-mexyl	DTXSID3041794	0	0	0	3.056768559	14.42307692	23.53252247	0.216150854	16.68921967	3.486262309	79.04832631	37.23528852
C99627	99-62-7	"1,3-Diisopropylbenzene"	DTXSID8026640	0	0	0	3.945885006	5.627198124	1.674295351	0.770700148	14.51708639	3.076626405	16.2468412	9.570783064
C99638	99-63-8	"1,3-Benzenedicarbonyl dichloride"	DTXSID3026641	0	0	0	7.28945506	1.775804661	8.541353383	0.030727932	27.11501392	4.82852428	16.33948549	16.77719328
C99650	99-65-0	"1,3-Dinitrobenzene"	DTXSID9024065	0	0	0	4.520396913	1.859628074	3.797746461	0.143887141	16.84080644	1.812452544	164.7442873	47.48876723
C99661	99-66-1	Valproic acid	DTXSID6023733	0	0	0	49.30139721	64.12649041	4.767936307	0.036481891	22.3963313	4.001470583	31.97616683	21.51798482
C99718	99-71-8	4-(Butan-2-yl)phenol	DTXSID7022332	0	33.5935521	0	5.921052632	5.088062622	4.409643519	0.395951658	9.498781683	2.162708929	12.88693847	24.43402376
C99763	99-76-3	Methylparaben	DTXSID4022529	0	0	0	0.199401795	4.112554113	5.026362039	0.310013334	25.51417208	1.566325155	50.61840155	26.72395259
C99854	99-85-4	gamma-Terpinene	DTXSID6041210	0	0	0	2.010050251	2.070509233	5.340566606	0.174325992	20.37058962	4.143172785	8.509623555	18.71131538
C99865	99-86-5	alpha-Terpinene	DTXSID9041237	0	0	0	1.087578706	0.564263323	5.318691812	0.457861029	10.5313904	2.77820964	10.72259899	8.294686977
C99876	99-87-6	p-Cymene	DTXSID3026645	0	0	0	3.917050691	3.249097473	4.343169692	0.209263149	25.78094871	5.454133929	15.70732633	18.15028814
C99898	99-89-8	4-Isopropylphenol	DTXSID5042299	0	0	0	3.899082569	1.971230687	14.56738132	0.394392848	20.74104966	4.617219072	13.1882551	20.5233032
C99934	99-93-4	4-Hydroxyacetophenone	DTXSID0029133	0	0	0	0.760456274	0.916380298	2.133158305	0.178932853	10.15699047	3.322414316	20.02086546	19.24170793
C99967	99-96-7	4-Hydroxybenzoic acid	DTXSID3026647	0	0	0	2.241594022	2.180318209	9.812143576	0.038869519	9.766028562	2.85277692	13.21046982	19.08676148
C99978	99-97-8	"N,N,4-Trimethylaniline"	DTXSID0021832	0	0	0	3.954154728	4.31372549	9.007137049	0.29428534	108.1463323	8.465089993	15.52160401	16.8125371
C99990	99-99-0	4-Nitrotoluene	DTXSID5023792	0	0	0	4.068767908	1.188455008	7.270162841	0.379692884	19.08070759	2.54260416	23.03325041	13.52065912
C999973	999-97-3	Hexamethyldisilazane	DTXSID2025395	0	0	0	3.239145417	1.176470588	50.96691932	0.137001187	20.5489291	4.017219276	20.15174233	15.11812472
CNOCAS34742	NOCAS_34742	"Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)"	DTXSID8034742	0	57.55909885	0	67.60895171	65.01035197	2.727233622	0.278754864	218.0210142	2.956993507	92.91646856	124.1573613
CNOCAS47248	NOCAS_47248	CI-1018	DTXSID0047248	0	0	0	9.303561935	19.3442623	6.927224962	0.847996907	15.24473029	3.613355875	48.52868432	17.73683216
CNOCAS47255	NOCAS_47255	CP-465394	DTXSID9047255	0	0	0	8.236594804	3.625730994	4.547623417	0	11.709871	2.632116357	19.34226808	91.75725598
CNOCAS47265	NOCAS_47265	CP-471358	DTXSID3047265	0	0	0	5.856107083	2.404371585	2.834175851	0.263034406	17.1287455	2.87388883	13.01634048	20.45904457
CNOCAS47267	NOCAS_47267	CP-642931	DTXSID3047267	0	0	0	6.024096386	3.971119134	3.941702551	0.263034406	15.73442413	2.749124793	11.25429553	16.23083369
CNOCAS47291	NOCAS_47291	CI-1044	DTXSID5047291	0	0	0	8.63350486	6.850828729	10.56528806	0.137503524	17.02663032	3.89025437	15.21438451	16.68632672
CNOCAS47292	NOCAS_47292	PD 0200347	DTXSID0047292	0	0	0	8.274231678	3.628601921	7.965387176	0.263034406	16.99718411	1.929219464	14.98516791	13.25649884
CNOCAS47299	NOCAS_47299	CP-422935	DTXSID5047299	0	0	0	1.749837978	1.732811627	10.39165519	0.263034406	221.3821791	3.410702311	13.33092334	18.65625289
CNOCAS47305	NOCAS_47305	CP-608039	DTXSID2047305	0	0	0	4.968152866	6.859592712	7.379954882	0.137503524	17.44462066	17.51323526	16.37683014	15.03519164
CNOCAS47311	NOCAS_47311	GSK163929B	DTXSID6047311	0	88.42869264	0	24.96940024	66.40537514	7.493945939	0	19.19087834	1.866631703	113.7328376	90.06702947
CNOCAS47325	NOCAS_47325	SB413217A	DTXSID0047325	0	18.98323539	0	4.955223881	3.850385039	11.35955606	0.399095955	128.8161746	2.561797803	18.71823557	30.98659138
CNOCAS47328	NOCAS_47328	MK-274	DTXSID5047328	0	0	0	66.71052632	49.51076321	13.82649907	0.487629415	38.98436376	2.464879586	107.5171187	103.1374356
CNOCAS47330	NOCAS_47330	PharmaGSID_47330	DTXSID9047330	0	0	0	37.15976331	29.63320463	2.447500075	0.469485283	13.79181269	1.914915963	129.0762936	81.47098775
CNOCAS47333	NOCAS_47333	PharmaGSID_47333	DTXSID4047333	0	0	0	143.2894737	67.31898239	2.926025139	0.615461444	22.12971078	3.465720347	41.53434994	20.30116218
CNOCAS47334	NOCAS_47334	MK-968	DTXSID9047334	0	0	0	73.79310345	100.2275313	3.104805275	0.407616559	14.00211435	11.14656498	120.0590067	113.6693327
CNOCAS47342	NOCAS_47342	SR125047	DTXSID3047342	0	0	0	63.33333333	74.26160338	2.46233361	0.211765736	21.46241973	4.518237023	88.40792742	62.44405981
CNOCAS47346	NOCAS_47346	SSR162369	DTXSID3047346	0	0	0	7.388535032	6.966773848	11.68546568	0.582114138	20.01457682	3.199332003	18.60860691	27.68879115
CNOCAS47351	464930-42-5	SSR240612	DTXSID2047351	89.0930747	79.35109051	62.54901961	109.4022055	96.38554217	19.49963208	0.429899831	41.48406637	194.0631266	109.0846643	114.0092164
CNOCAS47353	NOCAS_47353	SSR241586	DTXSID2047353	0	63.21540228	0	88.09261301	81.96544276	2.794866865	0.219907158	286.1011757	3.210777662	96.56791858	116.8048407
CNOCAS47362	NOCAS_47362	SSR150106	DTXSID1047362	0	0	0	20.14134276	28.88198758	5.987869403	0.148465322	7.281209269	3.026996999	104.5541145	108.6678436
CNOCAS47364	1075752-90-7	SSR103800	DTXSID1047364	0	0	0	86.83770218	65.68306011	1.897737632	0.2522006	20.19616011	2.831993273	93.06488751	103.5094534
CNOCAS47366	NOCAS_47366	SAR115740	DTXSID1047366	20.50365833	0	0	23.32474227	74.81243301	4.492979719	0.454779767	126.0504612	2.818360689	99.63413717	115.5354843
CNOCAS47374	NOCAS_47374	SSR161421	DTXSID5047374	0	0	0	28.91246684	13.99317406	6.89532634	0.376183891	6.519399702	5.085435525	77.35913394	35.1918879
CNOCAS47377	NOCAS_47377	AVE6324	DTXSID0047377	9.222583506	83.80231587	33.9869281	48.02065404	59.46364105	7.883405101	0.247472763	321.1457199	2.544635405	78.96882146	120.3137943
CNOCAS47379	NOCAS_47379	SSR126768	DTXSID0047379	0	67.7282102	0	29.14847162	48.65616311	2.996742671	0.459761944	198.6336467	2.796169781	102.5131916	115.027733
CNOCAS47383	NOCAS_47383	AVE3247	DTXSID4047383	0	0	0	5.506883605	3.001579779	7.970094513	0.523933067	11.80679412	2.326917551	55.11275948	24.16325201
CNOCAS47385	NOCAS_47385	SAR377142	DTXSID4047385	0	0	0	12.34840132	13.06695464	2.487263289	0.514209728	16.36759282	2.690655425	17.97007105	24.90795786
CNOCAS47387	NOCAS_47387	SAR102779	DTXSID4047387	0	0	0	93.81088825	106.5647991	6.090524426	0.822048455	56.7414164	47.28532464	111.2791381	103.0222908
CNOCAS47389	433212-21-6	SAR150640	DTXSID4047389	0	0	0	70.97560976	69.32059448	12.40728254	0.563197292	10.44815013	3.186068914	108.8175686	92.47507196
CNOCAS47394	NOCAS_47394	Grinstad Soft-N-Safe	DTXSID3047394	0	0	0	7.553191489	7.299912049	5.590809628	0.299015046	147.5275275	4.219227006	40.76948481	11.65217495
CNOCAS47708	NOCAS_47708	Igepal CO-890	DTXSID9047708	0	0	0	2.825637491	1.882352941	68.40688532	0.199612553	7.309411195	3.216029884	18.42606809	13.28675584
CNOCAS47796	NOCAS_47796	Formalin	DTXSID5047796	0	0	0	2.068965517	5.282784338	2.37452482	0.31245396	27.91091932	1.163895063	38.51724687	11.72489822
CNOCAS48166	NOCAS_48166	"3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)-"	DTXSID7048166	0	0	0	19.63190184	37.8250591	32.84963437	0.278126145	7.38166785	1.808954303	117.7539297	106.2320683
CNOCAS48172	NOCAS_48172	PharmaGSID_48172	DTXSID1048172	0	0	0	14.30565248	40.20011772	2.533276084	0.231267309	20.49335863	2.170793565	92.24261807	101.0586824
CNOCAS48176	NOCAS_48176	YM218	DTXSID1048176	0	0	0	9.218859958	59.23261391	3.437767832	0.051275602	19.68846484	4.16133845	42.08807126	30.85409006
CNOCAS48505	NOCAS_48505	PharmaGSID_48505	DTXSID0048505	0	0	0	49.93548387	50.18404908	2.25974671	0.399366098	46.24957875	2.370645823	102.5552823	94.52024177
CNOCAS48507	NOCAS_48507	PharmaGSID_48507	DTXSID0048507	6.303267045	0	0	5.579399142	8.458864426	3.149401353	0.263331409	8.306434432	2.772534398	99.05543102	27.81626873
CNOCAS48509	NOCAS_48509	PharmaGSID_48509	DTXSID0048509	0	0	0	3.147353362	0.926998841	6.272774597	0.154956207	28.2025981	7.106046846	7.441570911	32.41897034
CNOCAS48514	NOCAS_48514	PharmaGSID_48514	DTXSID9048514	0	0	0	2.744546094	0.479616307	4.256737454	0.363471775	11.21424512	21.28886744	20.58021682	16.95941112
CNOCAS48516	NOCAS_48516	PharmaGSID_48516	DTXSID9048516	0	0	0	15.41168191	0	62.0036187	0.136861517	10.97242879	18.82971494	13.91430058	15.74170816
CNOCAS48518	NOCAS_48518	PharmaGSID_48518	DTXSID9048518	0	0	52.06059466	5.840957072	0	5.323302543	0.142369661	10.28320071	12.8790352	17.78251599	26.99283372
